USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1087 hydrogens (9 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 NoAdj-H: B 512 PTR HN2 : B 512 PTR N : B 511 GLN C :(H bumps) USER MOD NoAdj-H: B 512 PTR H : B 512 PTR N : B 511 GLN C :(H bumps) USER MOD Set 1.1: A 69 SER OG : rot -72:sc= 1.98 USER MOD Set 1.2: A 70 ASN : amide:sc= -0.658 K(o=0.16,f=-3.5!) USER MOD Set 1.3: B 501 MET CE :methyl -170:sc= -1.92 (180deg=-1.41) USER MOD Set 1.4: B 502 THR OG1 : rot -134:sc= 0.756 USER MOD Set 2.1: A 76 SER OG : rot 22:sc= 0.176 USER MOD Set 2.2: A 80 CYS SG : rot 176:sc= 1.38 USER MOD Set 3.1: A 54 SER OG : rot -42:sc= 0.257 USER MOD Set 3.2: A 56 LYS NZ :NH3+ 140:sc= 1.15 (180deg=0.03) USER MOD Set 4.1: A 43 THR OG1 : rot -100:sc= -0.0227 USER MOD Set 4.2: A 58 HIS : no HE2:sc= -6.24! C(o=-6.3!,f=-15!) USER MOD Set 5.1: A 17 HIS : no HD1:sc= -2.35 K(o=-1.8,f=-0.33) USER MOD Set 5.2: A 19 ASN : amide:sc= 0.524 K(o=-1.8,f=-1.1) USER MOD Set 6.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 9 HIS : no HD1:sc= -0.033 X(o=-0.033,f=-0.041) USER MOD Single : A 10 MET CE :methyl 155:sc= -0.188 (180deg=-0.864) USER MOD Single : A 12 THR OG1 : rot 167:sc= -2.79! USER MOD Single : A 16 ASN : amide:sc=-0.00122 X(o=-0.0012,f=-0.042) USER MOD Single : A 20 LYS NZ :NH3+ -141:sc= -5.82! (180deg=-6.58!) USER MOD Single : A 22 LYS NZ :NH3+ -166:sc=-0.00897 (180deg=-0.222) USER MOD Single : A 25 ASN : amide:sc= -3.37 K(o=-3.4,f=-11!) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 159:sc= -11.1! (180deg=-14!) USER MOD Single : A 41 THR OG1 : rot -44:sc= 1.23 USER MOD Single : A 48 TYR OH : rot 29:sc= 1.25 USER MOD Single : A 49 THR OG1 : rot -81:sc= -1.92! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 76:sc= -2.12! USER MOD Single : A 61 CYS SG : rot 180:sc= -0.958 USER MOD Single : A 65 TYR OH : rot -95:sc= 0.00663 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 50:sc= -3.94! USER MOD Single : A 81 GLN : amide:sc= -0.811 K(o=-0.81,f=-3.6!) USER MOD Single : A 82 THR OG1 : rot -21:sc= 1.1 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 90 LYS NZ :NH3+ 150:sc= 0.661! (180deg=0.0186!) USER MOD Single : A 91 CYS SG : rot 54:sc= -5.72! USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 100 MET CE :methyl 175:sc= -4.52! (180deg=-5.28!) USER MOD Single : A 102 GLN : amide:sc= -7.75! C(o=-7.7!,f=-11!) USER MOD Single : A 105 MET CE :methyl -113:sc= -8.34! (180deg=-11.2!) USER MOD Single : A 106 GLN : amide:sc= -2.93! K(o=-2.9!,f=-0.12) USER MOD Single : A 107 ASN : amide:sc= 0.866 K(o=0.87,f=-0.15) USER MOD Single : A 108 ASN : amide:sc= -3.4! C(o=-3.4!,f=-2.6!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc=-0.00747 X(o=-0.0075,f=-0.01) USER MOD Single : A 121 ASN : amide:sc= -0.831 K(o=-0.83,f=-0.19) USER MOD Single : A 122 ASN : amide:sc= -0.139 K(o=-0.14,f=-2.8) USER MOD Single : B 503 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 509 ASN : amide:sc= -4.22! C(o=-4.2!,f=-4.4!) USER MOD Single : B 511 GLN : amide:sc= -2.82 K(o=-2.8,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 8 -0.414 21.505 13.738 1.00 0.00 N ATOM 2 CA SER A 8 -1.879 21.347 13.778 1.00 0.00 C ATOM 3 C SER A 8 -2.312 20.186 12.894 1.00 0.00 C ATOM 4 O SER A 8 -3.266 19.473 13.212 1.00 0.00 O ATOM 5 CB SER A 8 -2.560 22.641 13.321 1.00 0.00 C ATOM 6 OG SER A 8 -3.972 22.552 13.421 1.00 0.00 O ATOM 0 HA SER A 8 -2.179 21.133 14.804 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.204 23.474 13.927 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.281 22.855 12.289 1.00 0.00 H new ATOM 0 HG SER A 8 -4.375 23.394 13.123 1.00 0.00 H new ATOM 14 N HIS A 9 -1.606 19.985 11.787 1.00 0.00 N ATOM 15 CA HIS A 9 -1.961 18.939 10.842 1.00 0.00 C ATOM 16 C HIS A 9 -0.728 18.198 10.348 1.00 0.00 C ATOM 17 O HIS A 9 -0.552 17.994 9.146 1.00 0.00 O ATOM 18 CB HIS A 9 -2.744 19.512 9.669 1.00 0.00 C ATOM 19 CG HIS A 9 -4.071 20.087 10.060 1.00 0.00 C ATOM 20 ND1 HIS A 9 -4.329 21.438 10.097 1.00 0.00 N ATOM 21 CD2 HIS A 9 -5.218 19.477 10.436 1.00 0.00 C ATOM 22 CE1 HIS A 9 -5.578 21.635 10.480 1.00 0.00 C ATOM 23 NE2 HIS A 9 -6.137 20.460 10.692 1.00 0.00 N ATOM 0 H HIS A 9 -0.787 20.533 11.524 1.00 0.00 H new ATOM 0 HA HIS A 9 -2.596 18.224 11.365 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -2.148 20.288 9.189 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -2.901 18.727 8.929 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -5.379 18.412 10.519 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -6.059 22.595 10.599 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -7.098 20.308 10.997 1.00 0.00 H new ATOM 32 N MET A 10 0.128 17.807 11.284 1.00 0.00 N ATOM 33 CA MET A 10 1.290 16.987 10.966 1.00 0.00 C ATOM 34 C MET A 10 0.855 15.574 10.585 1.00 0.00 C ATOM 35 O MET A 10 0.885 15.203 9.414 1.00 0.00 O ATOM 36 CB MET A 10 2.250 16.926 12.157 1.00 0.00 C ATOM 37 CG MET A 10 3.483 16.074 11.904 1.00 0.00 C ATOM 38 SD MET A 10 4.470 15.816 13.389 1.00 0.00 S ATOM 39 CE MET A 10 3.318 14.896 14.407 1.00 0.00 C ATOM 0 H MET A 10 0.039 18.045 12.272 1.00 0.00 H new ATOM 0 HA MET A 10 1.805 17.443 10.121 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.564 17.938 12.411 1.00 0.00 H new ATOM 0 HB3 MET A 10 1.717 16.531 13.022 1.00 0.00 H new ATOM 0 HG2 MET A 10 3.175 15.107 11.505 1.00 0.00 H new ATOM 0 HG3 MET A 10 4.099 16.552 11.142 1.00 0.00 H new ATOM 0 HE1 MET A 10 3.870 14.294 15.128 1.00 0.00 H new ATOM 0 HE2 MET A 10 2.666 15.590 14.938 1.00 0.00 H new ATOM 0 HE3 MET A 10 2.715 14.243 13.775 1.00 0.00 H new ATOM 49 N ASP A 11 0.445 14.795 11.580 1.00 0.00 N ATOM 50 CA ASP A 11 -0.010 13.426 11.349 1.00 0.00 C ATOM 51 C ASP A 11 -1.526 13.404 11.175 1.00 0.00 C ATOM 52 O ASP A 11 -2.091 12.485 10.578 1.00 0.00 O ATOM 53 CB ASP A 11 0.429 12.529 12.514 1.00 0.00 C ATOM 54 CG ASP A 11 -0.102 11.113 12.425 1.00 0.00 C ATOM 55 OD1 ASP A 11 0.538 10.269 11.767 1.00 0.00 O ATOM 56 OD2 ASP A 11 -1.150 10.828 13.041 1.00 0.00 O ATOM 0 H ASP A 11 0.418 15.088 12.557 1.00 0.00 H new ATOM 0 HA ASP A 11 0.441 13.041 10.434 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.518 12.498 12.547 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.094 12.975 13.451 1.00 0.00 H new ATOM 61 N THR A 12 -2.177 14.449 11.673 1.00 0.00 N ATOM 62 CA THR A 12 -3.610 14.611 11.503 1.00 0.00 C ATOM 63 C THR A 12 -3.901 14.972 10.059 1.00 0.00 C ATOM 64 O THR A 12 -4.984 14.706 9.537 1.00 0.00 O ATOM 65 CB THR A 12 -4.166 15.703 12.432 1.00 0.00 C ATOM 66 OG1 THR A 12 -3.264 16.815 12.468 1.00 0.00 O ATOM 67 CG2 THR A 12 -4.387 15.172 13.831 1.00 0.00 C ATOM 0 H THR A 12 -1.729 15.199 12.200 1.00 0.00 H new ATOM 0 HA THR A 12 -4.097 13.671 11.762 1.00 0.00 H new ATOM 0 HB THR A 12 -5.129 16.028 12.038 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.708 17.583 12.886 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.780 15.967 14.464 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.100 14.348 13.799 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.441 14.818 14.239 1.00 0.00 H new ATOM 75 N VAL A 13 -2.888 15.570 9.431 1.00 0.00 N ATOM 76 CA VAL A 13 -2.890 15.872 8.015 1.00 0.00 C ATOM 77 C VAL A 13 -3.903 16.948 7.640 1.00 0.00 C ATOM 78 O VAL A 13 -4.880 17.189 8.346 1.00 0.00 O ATOM 79 CB VAL A 13 -3.115 14.578 7.220 1.00 0.00 C ATOM 80 CG1 VAL A 13 -4.400 14.596 6.402 1.00 0.00 C ATOM 81 CG2 VAL A 13 -1.918 14.286 6.343 1.00 0.00 C ATOM 0 H VAL A 13 -2.034 15.859 9.907 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.916 16.288 7.757 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.230 13.775 7.948 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.502 13.654 5.863 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.253 14.727 7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.366 15.420 5.689 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.091 13.366 5.785 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.768 15.110 5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.030 14.171 6.965 1.00 0.00 H new ATOM 91 N PRO A 14 -3.624 17.642 6.535 1.00 0.00 N ATOM 92 CA PRO A 14 -4.532 18.625 5.940 1.00 0.00 C ATOM 93 C PRO A 14 -5.766 17.953 5.336 1.00 0.00 C ATOM 94 O PRO A 14 -5.959 17.977 4.123 1.00 0.00 O ATOM 95 CB PRO A 14 -3.690 19.286 4.835 1.00 0.00 C ATOM 96 CG PRO A 14 -2.289 18.797 5.028 1.00 0.00 C ATOM 97 CD PRO A 14 -2.376 17.517 5.787 1.00 0.00 C ATOM 0 HA PRO A 14 -4.908 19.335 6.677 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.064 19.016 3.847 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.736 20.373 4.908 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.798 18.643 4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.696 19.530 5.575 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.394 16.656 5.119 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.522 17.387 6.452 1.00 0.00 H new ATOM 105 N ASP A 15 -6.572 17.348 6.211 1.00 0.00 N ATOM 106 CA ASP A 15 -7.775 16.587 5.851 1.00 0.00 C ATOM 107 C ASP A 15 -7.527 15.577 4.729 1.00 0.00 C ATOM 108 O ASP A 15 -7.254 14.406 4.994 1.00 0.00 O ATOM 109 CB ASP A 15 -8.942 17.505 5.487 1.00 0.00 C ATOM 110 CG ASP A 15 -10.238 16.733 5.336 1.00 0.00 C ATOM 111 OD1 ASP A 15 -10.730 16.189 6.351 1.00 0.00 O ATOM 112 OD2 ASP A 15 -10.770 16.658 4.207 1.00 0.00 O ATOM 0 H ASP A 15 -6.403 17.373 7.217 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.043 16.023 6.744 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.060 18.266 6.258 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.718 18.026 4.556 1.00 0.00 H new ATOM 117 N ASN A 16 -7.608 16.023 3.484 1.00 0.00 N ATOM 118 CA ASN A 16 -7.443 15.127 2.353 1.00 0.00 C ATOM 119 C ASN A 16 -6.565 15.748 1.277 1.00 0.00 C ATOM 120 O ASN A 16 -7.056 16.253 0.268 1.00 0.00 O ATOM 121 CB ASN A 16 -8.800 14.735 1.771 1.00 0.00 C ATOM 122 CG ASN A 16 -8.690 13.685 0.675 1.00 0.00 C ATOM 123 OD1 ASN A 16 -8.607 14.004 -0.511 1.00 0.00 O ATOM 124 ND2 ASN A 16 -8.688 12.420 1.065 1.00 0.00 N ATOM 0 H ASN A 16 -7.786 16.996 3.234 1.00 0.00 H new ATOM 0 HA ASN A 16 -6.946 14.227 2.715 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.437 14.355 2.570 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -9.288 15.623 1.370 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.616 11.673 0.374 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.758 12.192 2.057 1.00 0.00 H new ATOM 131 N HIS A 17 -5.259 15.740 1.508 1.00 0.00 N ATOM 132 CA HIS A 17 -4.321 16.087 0.451 1.00 0.00 C ATOM 133 C HIS A 17 -3.965 14.808 -0.304 1.00 0.00 C ATOM 134 O HIS A 17 -4.594 13.779 -0.070 1.00 0.00 O ATOM 135 CB HIS A 17 -3.072 16.818 0.993 1.00 0.00 C ATOM 136 CG HIS A 17 -2.043 15.965 1.681 1.00 0.00 C ATOM 137 ND1 HIS A 17 -0.869 15.578 1.074 1.00 0.00 N ATOM 138 CD2 HIS A 17 -1.990 15.466 2.936 1.00 0.00 C ATOM 139 CE1 HIS A 17 -0.144 14.878 1.920 1.00 0.00 C ATOM 140 NE2 HIS A 17 -0.795 14.793 3.061 1.00 0.00 N ATOM 0 H HIS A 17 -4.831 15.501 2.403 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.787 16.795 -0.234 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.589 17.331 0.161 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.402 17.586 1.693 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.746 15.575 3.700 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.824 14.445 1.713 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -0.469 14.309 3.898 1.00 0.00 H new ATOM 149 N ARG A 18 -2.983 14.866 -1.195 1.00 0.00 N ATOM 150 CA ARG A 18 -2.651 13.725 -2.053 1.00 0.00 C ATOM 151 C ARG A 18 -2.521 12.418 -1.282 1.00 0.00 C ATOM 152 O ARG A 18 -3.164 11.444 -1.598 1.00 0.00 O ATOM 153 CB ARG A 18 -1.339 13.956 -2.785 1.00 0.00 C ATOM 154 CG ARG A 18 -1.135 12.971 -3.921 1.00 0.00 C ATOM 155 CD ARG A 18 0.216 12.306 -3.875 1.00 0.00 C ATOM 156 NE ARG A 18 1.328 13.257 -4.006 1.00 0.00 N ATOM 157 CZ ARG A 18 2.538 12.948 -4.485 1.00 0.00 C ATOM 158 NH1 ARG A 18 2.778 11.749 -5.002 1.00 0.00 N ATOM 159 NH2 ARG A 18 3.507 13.857 -4.469 1.00 0.00 N ATOM 0 H ARG A 18 -2.400 15.689 -1.346 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.481 13.642 -2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.319 14.972 -3.179 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.512 13.871 -2.080 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.913 12.209 -3.880 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.248 13.491 -4.872 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.317 11.765 -2.934 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.279 11.569 -4.675 1.00 0.00 H new ATOM 0 HE ARG A 18 1.166 14.220 -3.711 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.035 11.051 -5.037 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.705 11.526 -5.364 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.327 14.788 -4.092 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.431 13.624 -4.834 1.00 0.00 H new ATOM 173 N ASN A 19 -1.690 12.403 -0.277 1.00 0.00 N ATOM 174 CA ASN A 19 -1.233 11.147 0.303 1.00 0.00 C ATOM 175 C ASN A 19 -2.259 10.481 1.230 1.00 0.00 C ATOM 176 O ASN A 19 -2.466 9.270 1.150 1.00 0.00 O ATOM 177 CB ASN A 19 0.069 11.418 1.036 1.00 0.00 C ATOM 178 CG ASN A 19 1.239 11.680 0.108 1.00 0.00 C ATOM 179 OD1 ASN A 19 1.399 12.790 -0.405 1.00 0.00 O ATOM 180 ND2 ASN A 19 2.087 10.686 -0.078 1.00 0.00 N ATOM 0 H ASN A 19 -1.309 13.240 0.165 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.086 10.433 -0.507 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.064 12.278 1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.304 10.565 1.672 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.911 10.821 -0.664 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.919 9.782 0.364 1.00 0.00 H new ATOM 187 N LYS A 20 -2.886 11.247 2.114 1.00 0.00 N ATOM 188 CA LYS A 20 -3.906 10.689 3.003 1.00 0.00 C ATOM 189 C LYS A 20 -5.193 10.455 2.211 1.00 0.00 C ATOM 190 O LYS A 20 -5.919 11.399 1.901 1.00 0.00 O ATOM 191 CB LYS A 20 -4.164 11.666 4.164 1.00 0.00 C ATOM 192 CG LYS A 20 -5.237 11.206 5.146 1.00 0.00 C ATOM 193 CD LYS A 20 -4.751 10.104 6.062 1.00 0.00 C ATOM 194 CE LYS A 20 -4.321 10.602 7.430 1.00 0.00 C ATOM 195 NZ LYS A 20 -3.177 11.538 7.367 1.00 0.00 N ATOM 0 H LYS A 20 -2.712 12.244 2.237 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.562 9.739 3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.232 11.819 4.708 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.455 12.632 3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.564 12.055 5.746 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.107 10.855 4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.545 9.367 6.185 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.912 9.593 5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.164 11.098 7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.053 9.749 8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.531 11.351 8.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.669 11.406 6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.525 12.516 7.427 1.00 0.00 H new ATOM 209 N PHE A 21 -5.473 9.196 1.895 1.00 0.00 N ATOM 210 CA PHE A 21 -6.682 8.842 1.161 1.00 0.00 C ATOM 211 C PHE A 21 -7.627 8.032 2.023 1.00 0.00 C ATOM 212 O PHE A 21 -7.222 7.076 2.663 1.00 0.00 O ATOM 213 CB PHE A 21 -6.330 8.043 -0.101 1.00 0.00 C ATOM 214 CG PHE A 21 -5.857 8.881 -1.256 1.00 0.00 C ATOM 215 CD1 PHE A 21 -6.261 10.201 -1.419 1.00 0.00 C ATOM 216 CD2 PHE A 21 -4.998 8.338 -2.186 1.00 0.00 C ATOM 217 CE1 PHE A 21 -5.802 10.947 -2.490 1.00 0.00 C ATOM 218 CE2 PHE A 21 -4.539 9.067 -3.235 1.00 0.00 C ATOM 219 CZ PHE A 21 -4.931 10.373 -3.399 1.00 0.00 C ATOM 0 H PHE A 21 -4.879 8.403 2.136 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.178 9.770 0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.555 7.318 0.147 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.207 7.477 -0.414 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.938 10.647 -0.705 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.683 7.311 -2.078 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.122 11.971 -2.616 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.861 8.617 -3.945 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.561 10.950 -4.234 1.00 0.00 H new ATOM 229 N LYS A 22 -8.887 8.421 2.042 1.00 0.00 N ATOM 230 CA LYS A 22 -9.900 7.645 2.730 1.00 0.00 C ATOM 231 C LYS A 22 -10.321 6.462 1.870 1.00 0.00 C ATOM 232 O LYS A 22 -10.999 6.629 0.856 1.00 0.00 O ATOM 233 CB LYS A 22 -11.112 8.508 3.058 1.00 0.00 C ATOM 234 CG LYS A 22 -11.230 8.894 4.516 1.00 0.00 C ATOM 235 CD LYS A 22 -11.428 7.681 5.414 1.00 0.00 C ATOM 236 CE LYS A 22 -12.775 7.018 5.192 1.00 0.00 C ATOM 237 NZ LYS A 22 -13.913 7.916 5.530 1.00 0.00 N ATOM 0 H LYS A 22 -9.233 9.267 1.590 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.477 7.277 3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.069 9.416 2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.014 7.973 2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.331 9.429 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.068 9.579 4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.634 6.958 5.226 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.342 7.985 6.457 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.857 6.709 4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.836 6.114 5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.789 7.358 5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.731 8.378 6.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.015 8.640 4.790 1.00 0.00 H new ATOM 251 N VAL A 23 -9.908 5.275 2.272 1.00 0.00 N ATOM 252 CA VAL A 23 -10.253 4.067 1.559 1.00 0.00 C ATOM 253 C VAL A 23 -11.417 3.381 2.256 1.00 0.00 C ATOM 254 O VAL A 23 -12.075 3.954 3.120 1.00 0.00 O ATOM 255 CB VAL A 23 -9.043 3.098 1.499 1.00 0.00 C ATOM 256 CG1 VAL A 23 -7.853 3.779 0.857 1.00 0.00 C ATOM 257 CG2 VAL A 23 -8.680 2.607 2.886 1.00 0.00 C ATOM 0 H VAL A 23 -9.328 5.125 3.097 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.535 4.334 0.541 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.325 2.238 0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.012 3.086 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.112 4.086 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.576 4.656 1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.829 1.929 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.419 3.457 3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.530 2.081 3.320 1.00 0.00 H new ATOM 267 N ILE A 24 -11.689 2.176 1.851 1.00 0.00 N ATOM 268 CA ILE A 24 -12.660 1.349 2.520 1.00 0.00 C ATOM 269 C ILE A 24 -12.063 -0.029 2.749 1.00 0.00 C ATOM 270 O ILE A 24 -11.726 -0.696 1.797 1.00 0.00 O ATOM 271 CB ILE A 24 -13.900 1.173 1.642 1.00 0.00 C ATOM 272 CG1 ILE A 24 -14.875 2.335 1.716 1.00 0.00 C ATOM 273 CG2 ILE A 24 -14.597 -0.090 2.006 1.00 0.00 C ATOM 274 CD1 ILE A 24 -15.852 2.317 0.557 1.00 0.00 C ATOM 0 H ILE A 24 -11.245 1.734 1.046 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.932 1.824 3.462 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.544 1.136 0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -15.424 2.291 2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.323 3.275 1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.480 -0.212 1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.924 -0.934 1.854 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.898 -0.051 3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.534 3.163 0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.304 2.387 -0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.422 1.388 0.576 1.00 0.00 H new ATOM 286 N ASN A 25 -11.920 -0.487 3.969 1.00 0.00 N ATOM 287 CA ASN A 25 -11.483 -1.864 4.125 1.00 0.00 C ATOM 288 C ASN A 25 -12.580 -2.808 3.651 1.00 0.00 C ATOM 289 O ASN A 25 -13.694 -2.790 4.184 1.00 0.00 O ATOM 290 CB ASN A 25 -11.141 -2.236 5.564 1.00 0.00 C ATOM 291 CG ASN A 25 -9.994 -1.456 6.157 1.00 0.00 C ATOM 292 OD1 ASN A 25 -8.856 -1.885 6.091 1.00 0.00 O ATOM 293 ND2 ASN A 25 -10.286 -0.327 6.779 1.00 0.00 N ATOM 0 H ASN A 25 -12.087 0.035 4.829 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.576 -1.959 3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.025 -2.086 6.184 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.900 -3.298 5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.546 0.216 7.224 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.251 0.001 6.814 1.00 0.00 H new ATOM 300 N VAL A 26 -12.270 -3.624 2.652 1.00 0.00 N ATOM 301 CA VAL A 26 -13.229 -4.582 2.121 1.00 0.00 C ATOM 302 C VAL A 26 -12.573 -5.948 2.001 1.00 0.00 C ATOM 303 O VAL A 26 -11.490 -6.070 1.435 1.00 0.00 O ATOM 304 CB VAL A 26 -13.760 -4.136 0.748 1.00 0.00 C ATOM 305 CG1 VAL A 26 -14.742 -2.998 0.936 1.00 0.00 C ATOM 306 CG2 VAL A 26 -12.633 -3.744 -0.186 1.00 0.00 C ATOM 0 H VAL A 26 -11.359 -3.641 2.193 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.073 -4.638 2.808 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.274 -4.976 0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.120 -2.680 -0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.573 -3.333 1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.240 -2.161 1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.047 -3.435 -1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.070 -2.918 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.970 -4.597 -0.334 1.00 0.00 H new ATOM 316 N ASP A 27 -13.209 -6.985 2.517 1.00 0.00 N ATOM 317 CA ASP A 27 -12.565 -8.289 2.504 1.00 0.00 C ATOM 318 C ASP A 27 -13.403 -9.357 1.827 1.00 0.00 C ATOM 319 O ASP A 27 -14.564 -9.567 2.173 1.00 0.00 O ATOM 320 CB ASP A 27 -12.193 -8.731 3.919 1.00 0.00 C ATOM 321 CG ASP A 27 -11.610 -10.132 3.951 1.00 0.00 C ATOM 322 OD1 ASP A 27 -10.507 -10.342 3.405 1.00 0.00 O ATOM 323 OD2 ASP A 27 -12.248 -11.030 4.536 1.00 0.00 O ATOM 0 H ASP A 27 -14.138 -6.956 2.937 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.656 -8.172 1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.471 -8.030 4.338 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.079 -8.694 4.553 1.00 0.00 H new ATOM 328 N ASP A 28 -12.768 -10.009 0.846 1.00 0.00 N ATOM 329 CA ASP A 28 -13.299 -11.177 0.116 1.00 0.00 C ATOM 330 C ASP A 28 -14.692 -10.954 -0.495 1.00 0.00 C ATOM 331 O ASP A 28 -15.257 -11.847 -1.122 1.00 0.00 O ATOM 332 CB ASP A 28 -13.323 -12.397 1.044 1.00 0.00 C ATOM 333 CG ASP A 28 -13.633 -13.687 0.315 1.00 0.00 C ATOM 334 OD1 ASP A 28 -12.763 -14.176 -0.438 1.00 0.00 O ATOM 335 OD2 ASP A 28 -14.744 -14.226 0.489 1.00 0.00 O ATOM 0 H ASP A 28 -11.840 -9.733 0.524 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.626 -11.345 -0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.357 -12.489 1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.067 -12.239 1.824 1.00 0.00 H new ATOM 340 N ASP A 29 -15.220 -9.753 -0.369 1.00 0.00 N ATOM 341 CA ASP A 29 -16.542 -9.448 -0.894 1.00 0.00 C ATOM 342 C ASP A 29 -16.561 -8.064 -1.513 1.00 0.00 C ATOM 343 O ASP A 29 -17.519 -7.681 -2.179 1.00 0.00 O ATOM 344 CB ASP A 29 -17.602 -9.511 0.214 1.00 0.00 C ATOM 345 CG ASP A 29 -17.840 -10.909 0.749 1.00 0.00 C ATOM 346 OD1 ASP A 29 -18.435 -11.734 0.024 1.00 0.00 O ATOM 347 OD2 ASP A 29 -17.468 -11.181 1.911 1.00 0.00 O ATOM 0 H ASP A 29 -14.756 -8.970 0.092 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.774 -10.194 -1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.295 -8.864 1.036 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.541 -9.114 -0.171 1.00 0.00 H new ATOM 352 N GLY A 30 -15.481 -7.321 -1.304 1.00 0.00 N ATOM 353 CA GLY A 30 -15.475 -5.907 -1.629 1.00 0.00 C ATOM 354 C GLY A 30 -16.475 -5.186 -0.756 1.00 0.00 C ATOM 355 O GLY A 30 -16.948 -4.103 -1.087 1.00 0.00 O ATOM 0 H GLY A 30 -14.607 -7.674 -0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.478 -5.492 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.724 -5.763 -2.680 1.00 0.00 H new ATOM 359 N ASN A 31 -16.783 -5.812 0.378 1.00 0.00 N ATOM 360 CA ASN A 31 -17.758 -5.292 1.320 1.00 0.00 C ATOM 361 C ASN A 31 -17.061 -4.431 2.337 1.00 0.00 C ATOM 362 O ASN A 31 -16.103 -4.888 2.955 1.00 0.00 O ATOM 363 CB ASN A 31 -18.463 -6.439 2.046 1.00 0.00 C ATOM 364 CG ASN A 31 -19.838 -6.058 2.567 1.00 0.00 C ATOM 365 OD1 ASN A 31 -19.972 -5.475 3.644 1.00 0.00 O ATOM 366 ND2 ASN A 31 -20.871 -6.395 1.815 1.00 0.00 N ATOM 0 H ASN A 31 -16.360 -6.695 0.665 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.495 -4.706 0.771 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.560 -7.286 1.367 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.843 -6.769 2.880 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -21.818 -6.173 2.121 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -20.721 -6.877 0.929 1.00 0.00 H new ATOM 373 N GLU A 32 -17.484 -3.174 2.455 1.00 0.00 N ATOM 374 CA GLU A 32 -16.908 -2.269 3.435 1.00 0.00 C ATOM 375 C GLU A 32 -17.066 -2.822 4.852 1.00 0.00 C ATOM 376 O GLU A 32 -18.013 -2.484 5.566 1.00 0.00 O ATOM 377 CB GLU A 32 -17.561 -0.893 3.325 1.00 0.00 C ATOM 378 CG GLU A 32 -17.727 -0.443 1.887 1.00 0.00 C ATOM 379 CD GLU A 32 -19.130 -0.616 1.376 1.00 0.00 C ATOM 380 OE1 GLU A 32 -19.940 0.314 1.513 1.00 0.00 O ATOM 381 OE2 GLU A 32 -19.416 -1.685 0.808 1.00 0.00 O ATOM 0 H GLU A 32 -18.222 -2.764 1.883 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.842 -2.173 3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.537 -0.918 3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -16.956 -0.163 3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.443 0.606 1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.043 -1.008 1.254 1.00 0.00 H new ATOM 388 N LEU A 33 -16.119 -3.664 5.244 1.00 0.00 N ATOM 389 CA LEU A 33 -16.111 -4.292 6.557 1.00 0.00 C ATOM 390 C LEU A 33 -15.469 -3.358 7.572 1.00 0.00 C ATOM 391 O LEU A 33 -14.960 -3.785 8.607 1.00 0.00 O ATOM 392 CB LEU A 33 -15.356 -5.628 6.492 1.00 0.00 C ATOM 393 CG LEU A 33 -16.205 -6.863 6.148 1.00 0.00 C ATOM 394 CD1 LEU A 33 -17.387 -6.477 5.299 1.00 0.00 C ATOM 395 CD2 LEU A 33 -15.382 -7.881 5.388 1.00 0.00 C ATOM 0 H LEU A 33 -15.330 -3.932 4.656 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.136 -4.490 6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.562 -5.539 5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.875 -5.799 7.455 1.00 0.00 H new ATOM 0 HG LEU A 33 -16.552 -7.295 7.087 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.974 -7.366 5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -18.007 -5.764 5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.036 -6.022 4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -16.001 -8.747 5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.016 -7.436 4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.536 -8.194 5.999 1.00 0.00 H new ATOM 407 N GLY A 34 -15.504 -2.075 7.251 1.00 0.00 N ATOM 408 CA GLY A 34 -14.909 -1.064 8.087 1.00 0.00 C ATOM 409 C GLY A 34 -14.083 -0.109 7.263 1.00 0.00 C ATOM 410 O GLY A 34 -12.882 -0.301 7.118 1.00 0.00 O ATOM 0 H GLY A 34 -15.946 -1.713 6.406 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.690 -0.516 8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.282 -1.534 8.845 1.00 0.00 H new ATOM 414 N SER A 35 -14.721 0.902 6.693 1.00 0.00 N ATOM 415 CA SER A 35 -14.021 1.830 5.818 1.00 0.00 C ATOM 416 C SER A 35 -12.882 2.526 6.580 1.00 0.00 C ATOM 417 O SER A 35 -13.019 2.859 7.759 1.00 0.00 O ATOM 418 CB SER A 35 -15.004 2.838 5.213 1.00 0.00 C ATOM 419 OG SER A 35 -15.696 3.551 6.220 1.00 0.00 O ATOM 0 H SER A 35 -15.714 1.100 6.819 1.00 0.00 H new ATOM 0 HA SER A 35 -13.573 1.275 4.994 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.464 3.538 4.575 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.719 2.315 4.578 1.00 0.00 H new ATOM 0 HG SER A 35 -16.314 4.187 5.804 1.00 0.00 H new ATOM 425 N GLY A 36 -11.756 2.727 5.908 1.00 0.00 N ATOM 426 CA GLY A 36 -10.552 3.175 6.584 1.00 0.00 C ATOM 427 C GLY A 36 -9.857 4.293 5.832 1.00 0.00 C ATOM 428 O GLY A 36 -10.378 4.806 4.860 1.00 0.00 O ATOM 0 H GLY A 36 -11.654 2.587 4.903 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.806 3.517 7.587 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.867 2.335 6.698 1.00 0.00 H new ATOM 432 N ILE A 37 -8.694 4.689 6.299 1.00 0.00 N ATOM 433 CA ILE A 37 -7.807 5.539 5.519 1.00 0.00 C ATOM 434 C ILE A 37 -6.746 4.666 4.893 1.00 0.00 C ATOM 435 O ILE A 37 -6.558 3.553 5.307 1.00 0.00 O ATOM 436 CB ILE A 37 -7.063 6.575 6.400 1.00 0.00 C ATOM 437 CG1 ILE A 37 -8.014 7.595 7.030 1.00 0.00 C ATOM 438 CG2 ILE A 37 -6.014 7.315 5.577 1.00 0.00 C ATOM 439 CD1 ILE A 37 -8.353 8.764 6.126 1.00 0.00 C ATOM 0 H ILE A 37 -8.334 4.437 7.220 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.417 6.065 4.785 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.585 6.016 7.205 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.937 7.089 7.313 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.565 7.977 7.947 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.500 8.039 6.209 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.292 6.601 5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.500 7.835 4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.031 9.441 6.646 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.439 9.297 5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.833 8.396 5.219 1.00 0.00 H new ATOM 451 N MET A 38 -6.056 5.183 3.921 1.00 0.00 N ATOM 452 CA MET A 38 -4.825 4.611 3.487 1.00 0.00 C ATOM 453 C MET A 38 -3.833 5.737 3.291 1.00 0.00 C ATOM 454 O MET A 38 -3.800 6.401 2.256 1.00 0.00 O ATOM 455 CB MET A 38 -5.007 3.778 2.246 1.00 0.00 C ATOM 456 CG MET A 38 -3.791 2.980 1.910 1.00 0.00 C ATOM 457 SD MET A 38 -3.391 1.816 3.202 1.00 0.00 S ATOM 458 CE MET A 38 -5.003 1.071 3.349 1.00 0.00 C ATOM 0 H MET A 38 -6.336 6.018 3.406 1.00 0.00 H new ATOM 0 HA MET A 38 -4.443 3.923 4.241 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.853 3.104 2.385 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.253 4.430 1.408 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.954 2.444 0.975 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.947 3.651 1.750 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.909 0.090 3.815 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.642 1.705 3.963 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.445 0.961 2.359 1.00 0.00 H new ATOM 468 N GLU A 39 -3.076 5.968 4.343 1.00 0.00 N ATOM 469 CA GLU A 39 -2.126 7.047 4.427 1.00 0.00 C ATOM 470 C GLU A 39 -0.872 6.661 3.672 1.00 0.00 C ATOM 471 O GLU A 39 -0.034 5.920 4.190 1.00 0.00 O ATOM 472 CB GLU A 39 -1.776 7.207 5.888 1.00 0.00 C ATOM 473 CG GLU A 39 -0.648 8.163 6.196 1.00 0.00 C ATOM 474 CD GLU A 39 -1.124 9.541 6.576 1.00 0.00 C ATOM 475 OE1 GLU A 39 -1.489 10.326 5.680 1.00 0.00 O ATOM 476 OE2 GLU A 39 -1.162 9.842 7.789 1.00 0.00 O ATOM 0 H GLU A 39 -3.109 5.392 5.184 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.536 7.966 4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.666 7.543 6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.516 6.227 6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.048 7.756 7.010 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.004 8.238 5.326 1.00 0.00 H new ATOM 483 N LEU A 40 -0.750 7.112 2.454 1.00 0.00 N ATOM 484 CA LEU A 40 0.416 6.789 1.679 1.00 0.00 C ATOM 485 C LEU A 40 1.577 7.686 2.042 1.00 0.00 C ATOM 486 O LEU A 40 1.519 8.896 1.855 1.00 0.00 O ATOM 487 CB LEU A 40 0.115 6.903 0.204 1.00 0.00 C ATOM 488 CG LEU A 40 -0.234 5.599 -0.488 1.00 0.00 C ATOM 489 CD1 LEU A 40 -0.537 5.876 -1.932 1.00 0.00 C ATOM 490 CD2 LEU A 40 0.925 4.625 -0.377 1.00 0.00 C ATOM 0 H LEU A 40 -1.437 7.699 1.980 1.00 0.00 H new ATOM 0 HA LEU A 40 0.695 5.760 1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.713 7.599 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.981 7.340 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.108 5.155 -0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.789 4.943 -2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.379 6.565 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.336 6.321 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.665 3.692 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.808 5.055 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.135 4.427 0.674 1.00 0.00 H new ATOM 502 N THR A 41 2.625 7.097 2.575 1.00 0.00 N ATOM 503 CA THR A 41 3.818 7.847 2.890 1.00 0.00 C ATOM 504 C THR A 41 5.047 7.158 2.314 1.00 0.00 C ATOM 505 O THR A 41 4.915 6.181 1.583 1.00 0.00 O ATOM 506 CB THR A 41 3.994 8.043 4.393 1.00 0.00 C ATOM 507 OG1 THR A 41 4.125 6.782 5.060 1.00 0.00 O ATOM 508 CG2 THR A 41 2.823 8.811 4.983 1.00 0.00 C ATOM 0 H THR A 41 2.674 6.103 2.798 1.00 0.00 H new ATOM 0 HA THR A 41 3.705 8.832 2.437 1.00 0.00 H new ATOM 0 HB THR A 41 4.906 8.621 4.544 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.458 6.155 4.709 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.974 8.937 6.055 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.754 9.790 4.509 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.900 8.258 4.809 1.00 0.00 H new ATOM 516 N ASP A 42 6.229 7.671 2.655 1.00 0.00 N ATOM 517 CA ASP A 42 7.501 7.137 2.162 1.00 0.00 C ATOM 518 C ASP A 42 7.565 5.641 2.254 1.00 0.00 C ATOM 519 O ASP A 42 7.911 4.970 1.288 1.00 0.00 O ATOM 520 CB ASP A 42 8.686 7.708 2.945 1.00 0.00 C ATOM 521 CG ASP A 42 8.953 9.179 2.680 1.00 0.00 C ATOM 522 OD1 ASP A 42 8.042 9.883 2.191 1.00 0.00 O ATOM 523 OD2 ASP A 42 10.077 9.645 2.975 1.00 0.00 O ATOM 0 H ASP A 42 6.333 8.469 3.281 1.00 0.00 H new ATOM 0 HA ASP A 42 7.560 7.436 1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.504 7.569 4.011 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.581 7.137 2.697 1.00 0.00 H new ATOM 528 N THR A 43 7.268 5.106 3.408 1.00 0.00 N ATOM 529 CA THR A 43 7.472 3.700 3.595 1.00 0.00 C ATOM 530 C THR A 43 6.315 3.023 4.279 1.00 0.00 C ATOM 531 O THR A 43 6.337 1.815 4.440 1.00 0.00 O ATOM 532 CB THR A 43 8.703 3.434 4.452 1.00 0.00 C ATOM 533 OG1 THR A 43 8.442 3.829 5.805 1.00 0.00 O ATOM 534 CG2 THR A 43 9.910 4.195 3.946 1.00 0.00 C ATOM 0 H THR A 43 6.894 5.609 4.212 1.00 0.00 H new ATOM 0 HA THR A 43 7.589 3.295 2.590 1.00 0.00 H new ATOM 0 HB THR A 43 8.919 2.367 4.399 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.841 4.708 5.972 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.769 3.980 4.582 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.131 3.889 2.923 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.701 5.265 3.968 1.00 0.00 H new ATOM 542 N GLU A 44 5.334 3.767 4.722 1.00 0.00 N ATOM 543 CA GLU A 44 4.251 3.151 5.448 1.00 0.00 C ATOM 544 C GLU A 44 2.899 3.565 4.926 1.00 0.00 C ATOM 545 O GLU A 44 2.563 4.744 4.839 1.00 0.00 O ATOM 546 CB GLU A 44 4.358 3.424 6.941 1.00 0.00 C ATOM 547 CG GLU A 44 5.131 2.359 7.698 1.00 0.00 C ATOM 548 CD GLU A 44 5.438 2.749 9.129 1.00 0.00 C ATOM 549 OE1 GLU A 44 5.041 3.855 9.553 1.00 0.00 O ATOM 550 OE2 GLU A 44 6.094 1.957 9.837 1.00 0.00 O ATOM 0 H GLU A 44 5.261 4.777 4.598 1.00 0.00 H new ATOM 0 HA GLU A 44 4.343 2.077 5.288 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.842 4.389 7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.355 3.501 7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.557 1.432 7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.066 2.157 7.175 1.00 0.00 H new ATOM 557 N LEU A 45 2.151 2.560 4.560 1.00 0.00 N ATOM 558 CA LEU A 45 0.776 2.696 4.174 1.00 0.00 C ATOM 559 C LEU A 45 -0.096 2.635 5.404 1.00 0.00 C ATOM 560 O LEU A 45 -0.489 1.560 5.854 1.00 0.00 O ATOM 561 CB LEU A 45 0.451 1.573 3.202 1.00 0.00 C ATOM 562 CG LEU A 45 0.606 1.909 1.752 1.00 0.00 C ATOM 563 CD1 LEU A 45 0.937 0.668 0.959 1.00 0.00 C ATOM 564 CD2 LEU A 45 -0.672 2.484 1.250 1.00 0.00 C ATOM 0 H LEU A 45 2.492 1.599 4.522 1.00 0.00 H new ATOM 0 HA LEU A 45 0.593 3.654 3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.093 0.722 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.577 1.253 3.375 1.00 0.00 H new ATOM 0 HG LEU A 45 1.416 2.629 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.047 0.928 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.869 0.239 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.134 -0.060 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.569 2.732 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.473 1.755 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.911 3.386 1.813 1.00 0.00 H new ATOM 576 N ILE A 46 -0.379 3.793 5.962 1.00 0.00 N ATOM 577 CA ILE A 46 -1.053 3.852 7.234 1.00 0.00 C ATOM 578 C ILE A 46 -2.572 3.881 7.038 1.00 0.00 C ATOM 579 O ILE A 46 -3.179 4.925 6.840 1.00 0.00 O ATOM 580 CB ILE A 46 -0.549 5.044 8.109 1.00 0.00 C ATOM 581 CG1 ILE A 46 0.956 4.966 8.298 1.00 0.00 C ATOM 582 CG2 ILE A 46 -1.223 5.017 9.442 1.00 0.00 C ATOM 583 CD1 ILE A 46 1.452 3.558 8.365 1.00 0.00 C ATOM 0 H ILE A 46 -0.153 4.700 5.554 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.807 2.945 7.786 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.792 5.976 7.598 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.450 5.483 7.475 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.232 5.489 9.214 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.867 5.851 10.047 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.301 5.102 9.306 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.993 4.079 9.947 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.534 3.559 8.501 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.982 3.046 9.205 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.203 3.040 7.439 1.00 0.00 H new ATOM 595 N LEU A 47 -3.177 2.708 7.086 1.00 0.00 N ATOM 596 CA LEU A 47 -4.619 2.571 6.931 1.00 0.00 C ATOM 597 C LEU A 47 -5.315 2.965 8.233 1.00 0.00 C ATOM 598 O LEU A 47 -5.181 2.273 9.234 1.00 0.00 O ATOM 599 CB LEU A 47 -4.976 1.121 6.673 1.00 0.00 C ATOM 600 CG LEU A 47 -6.442 0.746 6.919 1.00 0.00 C ATOM 601 CD1 LEU A 47 -7.305 0.902 5.676 1.00 0.00 C ATOM 602 CD2 LEU A 47 -6.478 -0.667 7.381 1.00 0.00 C ATOM 0 H LEU A 47 -2.688 1.825 7.233 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.933 3.207 6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.727 0.883 5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.348 0.493 7.305 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.852 1.423 7.668 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.333 0.623 5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.278 1.939 5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.924 0.256 4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.511 -0.963 7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.046 -1.311 6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.903 -0.763 8.302 1.00 0.00 H new ATOM 614 N TYR A 48 -6.072 4.035 8.245 1.00 0.00 N ATOM 615 CA TYR A 48 -6.751 4.426 9.478 1.00 0.00 C ATOM 616 C TYR A 48 -8.089 3.717 9.565 1.00 0.00 C ATOM 617 O TYR A 48 -9.048 4.140 8.929 1.00 0.00 O ATOM 618 CB TYR A 48 -6.994 5.931 9.562 1.00 0.00 C ATOM 619 CG TYR A 48 -5.755 6.738 9.742 1.00 0.00 C ATOM 620 CD1 TYR A 48 -4.723 6.535 8.892 1.00 0.00 C ATOM 621 CD2 TYR A 48 -5.622 7.695 10.737 1.00 0.00 C ATOM 622 CE1 TYR A 48 -3.574 7.231 8.986 1.00 0.00 C ATOM 623 CE2 TYR A 48 -4.452 8.422 10.854 1.00 0.00 C ATOM 624 CZ TYR A 48 -3.422 8.184 9.967 1.00 0.00 C ATOM 625 OH TYR A 48 -2.245 8.892 10.067 1.00 0.00 O ATOM 0 H TYR A 48 -6.238 4.643 7.443 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.100 4.143 10.305 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.499 6.258 8.653 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.670 6.133 10.393 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.823 5.792 8.114 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.436 7.873 11.424 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.770 7.041 8.290 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.345 9.166 11.629 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.831 8.965 9.182 1.00 0.00 H new ATOM 635 N THR A 49 -8.168 2.648 10.335 1.00 0.00 N ATOM 636 CA THR A 49 -9.428 1.930 10.460 1.00 0.00 C ATOM 637 C THR A 49 -10.392 2.694 11.365 1.00 0.00 C ATOM 638 O THR A 49 -10.097 3.814 11.784 1.00 0.00 O ATOM 639 CB THR A 49 -9.230 0.528 11.016 1.00 0.00 C ATOM 640 OG1 THR A 49 -8.383 0.586 12.149 1.00 0.00 O ATOM 641 CG2 THR A 49 -8.641 -0.387 9.965 1.00 0.00 C ATOM 0 H THR A 49 -7.393 2.261 10.874 1.00 0.00 H new ATOM 0 HA THR A 49 -9.847 1.847 9.457 1.00 0.00 H new ATOM 0 HB THR A 49 -10.199 0.124 11.310 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.449 0.638 11.857 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.508 -1.384 10.384 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.315 -0.440 9.110 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.676 0.003 9.643 1.00 0.00 H new ATOM 649 N ARG A 50 -11.527 2.100 11.683 1.00 0.00 N ATOM 650 CA ARG A 50 -12.466 2.736 12.585 1.00 0.00 C ATOM 651 C ARG A 50 -12.036 2.550 14.035 1.00 0.00 C ATOM 652 O ARG A 50 -11.639 3.495 14.714 1.00 0.00 O ATOM 653 CB ARG A 50 -13.866 2.175 12.396 1.00 0.00 C ATOM 654 CG ARG A 50 -14.885 3.235 12.025 1.00 0.00 C ATOM 655 CD ARG A 50 -14.877 4.383 13.021 1.00 0.00 C ATOM 656 NE ARG A 50 -13.797 5.333 12.729 1.00 0.00 N ATOM 657 CZ ARG A 50 -13.120 6.025 13.646 1.00 0.00 C ATOM 658 NH1 ARG A 50 -13.505 6.033 14.914 1.00 0.00 N ATOM 659 NH2 ARG A 50 -12.068 6.745 13.282 1.00 0.00 N ATOM 0 H ARG A 50 -11.818 1.187 11.334 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.476 3.800 12.351 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.844 1.412 11.618 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.181 1.682 13.316 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.669 3.616 11.027 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.879 2.790 11.989 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.836 4.899 12.992 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.756 3.991 14.031 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.545 5.475 11.751 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.329 5.505 15.200 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.977 6.567 15.604 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.779 6.768 12.304 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.547 7.276 13.980 1.00 0.00 H new ATOM 673 N LYS A 51 -12.101 1.316 14.487 1.00 0.00 N ATOM 674 CA LYS A 51 -11.861 0.989 15.880 1.00 0.00 C ATOM 675 C LYS A 51 -10.608 0.137 16.041 1.00 0.00 C ATOM 676 O LYS A 51 -10.212 -0.212 17.152 1.00 0.00 O ATOM 677 CB LYS A 51 -13.095 0.307 16.425 1.00 0.00 C ATOM 678 CG LYS A 51 -14.289 1.245 16.462 1.00 0.00 C ATOM 679 CD LYS A 51 -14.257 2.111 17.705 1.00 0.00 C ATOM 680 CE LYS A 51 -13.641 3.465 17.447 1.00 0.00 C ATOM 681 NZ LYS A 51 -13.842 4.384 18.595 1.00 0.00 N ATOM 0 H LYS A 51 -12.321 0.510 13.901 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.676 1.898 16.452 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.333 -0.560 15.809 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.892 -0.062 17.430 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.288 1.877 15.574 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.212 0.666 16.441 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.272 2.242 18.079 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.693 1.601 18.486 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.574 3.350 17.255 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.081 3.901 16.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.406 5.304 18.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.860 4.513 18.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.400 3.979 19.445 1.00 0.00 H new ATOM 695 N ARG A 52 -9.996 -0.190 14.913 1.00 0.00 N ATOM 696 CA ARG A 52 -8.760 -0.960 14.884 1.00 0.00 C ATOM 697 C ARG A 52 -7.543 -0.018 14.917 1.00 0.00 C ATOM 698 O ARG A 52 -6.400 -0.457 15.091 1.00 0.00 O ATOM 699 CB ARG A 52 -8.773 -1.835 13.618 1.00 0.00 C ATOM 700 CG ARG A 52 -7.469 -2.545 13.297 1.00 0.00 C ATOM 701 CD ARG A 52 -7.145 -3.630 14.308 1.00 0.00 C ATOM 702 NE ARG A 52 -7.556 -4.955 13.843 1.00 0.00 N ATOM 703 CZ ARG A 52 -7.304 -6.085 14.501 1.00 0.00 C ATOM 704 NH1 ARG A 52 -6.737 -6.046 15.703 1.00 0.00 N ATOM 705 NH2 ARG A 52 -7.635 -7.256 13.970 1.00 0.00 N ATOM 0 H ARG A 52 -10.342 0.071 13.990 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.685 -1.602 15.761 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.557 -2.584 13.724 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.044 -1.209 12.768 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.532 -2.985 12.302 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.657 -1.818 13.274 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.073 -3.632 14.506 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.643 -3.407 15.251 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.066 -5.017 12.962 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.494 -5.149 16.123 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.545 -6.913 16.205 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.084 -7.292 13.055 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.440 -8.119 14.477 1.00 0.00 H new ATOM 719 N ASP A 53 -7.828 1.288 14.783 1.00 0.00 N ATOM 720 CA ASP A 53 -6.819 2.347 14.755 1.00 0.00 C ATOM 721 C ASP A 53 -5.917 2.262 13.521 1.00 0.00 C ATOM 722 O ASP A 53 -5.989 1.311 12.742 1.00 0.00 O ATOM 723 CB ASP A 53 -6.039 2.339 16.074 1.00 0.00 C ATOM 724 CG ASP A 53 -4.649 2.952 16.025 1.00 0.00 C ATOM 725 OD1 ASP A 53 -4.527 4.184 15.814 1.00 0.00 O ATOM 726 OD2 ASP A 53 -3.665 2.209 16.225 1.00 0.00 O ATOM 0 H ASP A 53 -8.782 1.637 14.690 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.321 3.310 14.664 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.624 2.872 16.823 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.949 1.307 16.414 1.00 0.00 H new ATOM 731 N SER A 54 -5.142 3.312 13.316 1.00 0.00 N ATOM 732 CA SER A 54 -4.207 3.410 12.208 1.00 0.00 C ATOM 733 C SER A 54 -3.353 2.160 12.086 1.00 0.00 C ATOM 734 O SER A 54 -2.400 1.937 12.836 1.00 0.00 O ATOM 735 CB SER A 54 -3.327 4.650 12.345 1.00 0.00 C ATOM 736 OG SER A 54 -2.849 4.809 13.675 1.00 0.00 O ATOM 0 H SER A 54 -5.144 4.132 13.922 1.00 0.00 H new ATOM 0 HA SER A 54 -4.793 3.503 11.294 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.482 4.574 11.661 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.895 5.534 12.054 1.00 0.00 H new ATOM 0 HG SER A 54 -3.571 4.613 14.308 1.00 0.00 H new ATOM 742 N VAL A 55 -3.742 1.352 11.132 1.00 0.00 N ATOM 743 CA VAL A 55 -2.999 0.182 10.733 1.00 0.00 C ATOM 744 C VAL A 55 -1.851 0.633 9.858 1.00 0.00 C ATOM 745 O VAL A 55 -1.864 1.754 9.354 1.00 0.00 O ATOM 746 CB VAL A 55 -3.876 -0.784 9.939 1.00 0.00 C ATOM 747 CG1 VAL A 55 -3.190 -2.091 9.739 1.00 0.00 C ATOM 748 CG2 VAL A 55 -5.205 -1.011 10.612 1.00 0.00 C ATOM 0 H VAL A 55 -4.601 1.491 10.600 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.641 -0.335 11.623 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.054 -0.322 8.968 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.838 -2.759 9.171 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.261 -1.934 9.191 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.969 -2.538 10.708 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.800 -1.704 10.017 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.043 -1.431 11.605 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.734 -0.062 10.702 1.00 0.00 H new ATOM 758 N LYS A 56 -0.858 -0.204 9.675 1.00 0.00 N ATOM 759 CA LYS A 56 0.331 0.238 8.974 1.00 0.00 C ATOM 760 C LYS A 56 0.864 -0.812 8.000 1.00 0.00 C ATOM 761 O LYS A 56 0.970 -1.990 8.349 1.00 0.00 O ATOM 762 CB LYS A 56 1.414 0.616 9.962 1.00 0.00 C ATOM 763 CG LYS A 56 0.890 1.218 11.217 1.00 0.00 C ATOM 764 CD LYS A 56 1.510 2.560 11.396 1.00 0.00 C ATOM 765 CE LYS A 56 0.584 3.480 12.111 1.00 0.00 C ATOM 766 NZ LYS A 56 0.172 2.953 13.434 1.00 0.00 N ATOM 0 H LYS A 56 -0.844 -1.173 9.992 1.00 0.00 H new ATOM 0 HA LYS A 56 0.044 1.111 8.387 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.995 -0.273 10.210 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.097 1.321 9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.195 1.306 11.170 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.121 0.578 12.069 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.439 2.464 11.957 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.767 2.979 10.423 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.068 4.448 12.243 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.302 3.648 11.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.149 3.730 14.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.774 2.528 13.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.852 2.231 13.747 1.00 0.00 H new ATOM 780 N TRP A 57 1.190 -0.379 6.779 1.00 0.00 N ATOM 781 CA TRP A 57 1.833 -1.248 5.795 1.00 0.00 C ATOM 782 C TRP A 57 3.132 -0.673 5.278 1.00 0.00 C ATOM 783 O TRP A 57 3.149 0.138 4.356 1.00 0.00 O ATOM 784 CB TRP A 57 0.899 -1.600 4.642 1.00 0.00 C ATOM 785 CG TRP A 57 0.027 -2.734 5.040 1.00 0.00 C ATOM 786 CD1 TRP A 57 0.333 -4.055 4.952 1.00 0.00 C ATOM 787 CD2 TRP A 57 -1.262 -2.658 5.636 1.00 0.00 C ATOM 788 NE1 TRP A 57 -0.699 -4.814 5.441 1.00 0.00 N ATOM 789 CE2 TRP A 57 -1.693 -3.977 5.868 1.00 0.00 C ATOM 790 CE3 TRP A 57 -2.099 -1.603 5.987 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -2.923 -4.263 6.440 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -3.317 -1.893 6.551 1.00 0.00 C ATOM 793 CH2 TRP A 57 -3.719 -3.208 6.774 1.00 0.00 C ATOM 0 H TRP A 57 1.018 0.571 6.450 1.00 0.00 H new ATOM 0 HA TRP A 57 2.073 -2.171 6.322 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.291 -0.736 4.376 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.479 -1.866 3.758 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.256 -4.450 4.554 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.722 -5.833 5.480 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.797 -0.580 5.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.238 -5.281 6.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.977 -1.084 6.828 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.684 -3.396 7.222 1.00 0.00 H new ATOM 804 N HIS A 58 4.230 -1.105 5.879 1.00 0.00 N ATOM 805 CA HIS A 58 5.541 -0.688 5.428 1.00 0.00 C ATOM 806 C HIS A 58 5.792 -1.237 4.015 1.00 0.00 C ATOM 807 O HIS A 58 5.374 -2.338 3.672 1.00 0.00 O ATOM 808 CB HIS A 58 6.634 -1.158 6.400 1.00 0.00 C ATOM 809 CG HIS A 58 7.976 -0.556 6.111 1.00 0.00 C ATOM 810 ND1 HIS A 58 8.871 -1.113 5.230 1.00 0.00 N ATOM 811 CD2 HIS A 58 8.535 0.602 6.528 1.00 0.00 C ATOM 812 CE1 HIS A 58 9.915 -0.311 5.096 1.00 0.00 C ATOM 813 NE2 HIS A 58 9.741 0.731 5.880 1.00 0.00 N ATOM 0 H HIS A 58 4.236 -1.741 6.676 1.00 0.00 H new ATOM 0 HA HIS A 58 5.576 0.401 5.400 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.340 -0.904 7.418 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.712 -2.244 6.352 1.00 0.00 H new ATOM 0 HD1 HIS A 58 8.750 -2.006 4.753 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.113 1.297 7.239 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.765 -0.483 4.453 1.00 0.00 H new ATOM 822 N TYR A 59 6.466 -0.436 3.207 1.00 0.00 N ATOM 823 CA TYR A 59 6.699 -0.724 1.794 1.00 0.00 C ATOM 824 C TYR A 59 7.565 -1.960 1.591 1.00 0.00 C ATOM 825 O TYR A 59 7.474 -2.631 0.570 1.00 0.00 O ATOM 826 CB TYR A 59 7.372 0.481 1.158 1.00 0.00 C ATOM 827 CG TYR A 59 6.416 1.541 0.711 1.00 0.00 C ATOM 828 CD1 TYR A 59 5.289 1.816 1.450 1.00 0.00 C ATOM 829 CD2 TYR A 59 6.634 2.245 -0.449 1.00 0.00 C ATOM 830 CE1 TYR A 59 4.393 2.776 1.050 1.00 0.00 C ATOM 831 CE2 TYR A 59 5.753 3.210 -0.861 1.00 0.00 C ATOM 832 CZ TYR A 59 4.634 3.475 -0.111 1.00 0.00 C ATOM 833 OH TYR A 59 3.768 4.446 -0.525 1.00 0.00 O ATOM 0 H TYR A 59 6.874 0.447 3.515 1.00 0.00 H new ATOM 0 HA TYR A 59 5.736 -0.926 1.324 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.072 0.914 1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.957 0.148 0.301 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.106 1.267 2.362 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.511 2.035 -1.043 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.511 2.980 1.638 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.938 3.760 -1.772 1.00 0.00 H new ATOM 0 HH TYR A 59 3.892 5.250 0.022 1.00 0.00 H new ATOM 843 N LEU A 60 8.408 -2.240 2.569 1.00 0.00 N ATOM 844 CA LEU A 60 9.223 -3.451 2.578 1.00 0.00 C ATOM 845 C LEU A 60 8.403 -4.614 3.088 1.00 0.00 C ATOM 846 O LEU A 60 8.934 -5.619 3.544 1.00 0.00 O ATOM 847 CB LEU A 60 10.472 -3.278 3.437 1.00 0.00 C ATOM 848 CG LEU A 60 11.755 -2.975 2.669 1.00 0.00 C ATOM 849 CD1 LEU A 60 12.173 -4.152 1.793 1.00 0.00 C ATOM 850 CD2 LEU A 60 11.558 -1.744 1.836 1.00 0.00 C ATOM 0 H LEU A 60 8.550 -1.638 3.380 1.00 0.00 H new ATOM 0 HA LEU A 60 9.545 -3.649 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.295 -2.471 4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.622 -4.188 4.018 1.00 0.00 H new ATOM 0 HG LEU A 60 12.556 -2.804 3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.090 -3.901 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.344 -5.028 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.383 -4.368 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.474 -1.526 1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.743 -1.908 1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.314 -0.902 2.483 1.00 0.00 H new ATOM 862 N CYS A 61 7.107 -4.443 3.069 1.00 0.00 N ATOM 863 CA CYS A 61 6.220 -5.484 3.508 1.00 0.00 C ATOM 864 C CYS A 61 5.212 -5.778 2.417 1.00 0.00 C ATOM 865 O CYS A 61 4.755 -6.911 2.287 1.00 0.00 O ATOM 866 CB CYS A 61 5.527 -5.108 4.815 1.00 0.00 C ATOM 867 SG CYS A 61 4.912 -6.528 5.745 1.00 0.00 S ATOM 0 H CYS A 61 6.643 -3.591 2.754 1.00 0.00 H new ATOM 0 HA CYS A 61 6.802 -6.384 3.705 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.226 -4.551 5.439 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.694 -4.440 4.595 1.00 0.00 H new ATOM 0 HG CYS A 61 4.341 -6.117 6.838 1.00 0.00 H new ATOM 873 N LEU A 62 4.872 -4.758 1.626 1.00 0.00 N ATOM 874 CA LEU A 62 4.119 -4.979 0.407 1.00 0.00 C ATOM 875 C LEU A 62 4.855 -6.010 -0.450 1.00 0.00 C ATOM 876 O LEU A 62 6.081 -6.058 -0.464 1.00 0.00 O ATOM 877 CB LEU A 62 3.946 -3.672 -0.400 1.00 0.00 C ATOM 878 CG LEU A 62 3.061 -2.563 0.211 1.00 0.00 C ATOM 879 CD1 LEU A 62 2.294 -1.851 -0.895 1.00 0.00 C ATOM 880 CD2 LEU A 62 2.115 -3.103 1.278 1.00 0.00 C ATOM 0 H LEU A 62 5.107 -3.783 1.812 1.00 0.00 H new ATOM 0 HA LEU A 62 3.127 -5.341 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.937 -3.252 -0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.533 -3.932 -1.375 1.00 0.00 H new ATOM 0 HG LEU A 62 3.714 -1.847 0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.671 -1.069 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.998 -1.405 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.663 -2.568 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.514 -2.287 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.460 -3.854 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.694 -3.555 2.083 1.00 0.00 H new ATOM 892 N ARG A 63 4.102 -6.878 -1.082 1.00 0.00 N ATOM 893 CA ARG A 63 4.630 -7.771 -2.099 1.00 0.00 C ATOM 894 C ARG A 63 4.004 -7.401 -3.417 1.00 0.00 C ATOM 895 O ARG A 63 4.688 -7.063 -4.376 1.00 0.00 O ATOM 896 CB ARG A 63 4.307 -9.228 -1.784 1.00 0.00 C ATOM 897 CG ARG A 63 5.271 -9.898 -0.829 1.00 0.00 C ATOM 898 CD ARG A 63 4.828 -11.321 -0.563 1.00 0.00 C ATOM 899 NE ARG A 63 5.901 -12.156 -0.041 1.00 0.00 N ATOM 900 CZ ARG A 63 5.793 -13.475 0.109 1.00 0.00 C ATOM 901 NH1 ARG A 63 4.644 -14.086 -0.176 1.00 0.00 N ATOM 902 NH2 ARG A 63 6.828 -14.181 0.540 1.00 0.00 N ATOM 0 H ARG A 63 3.103 -6.989 -0.909 1.00 0.00 H new ATOM 0 HA ARG A 63 5.715 -7.667 -2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.303 -9.280 -1.362 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.290 -9.792 -2.717 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.276 -9.894 -1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.316 -9.341 0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.001 -11.313 0.147 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.450 -11.758 -1.487 1.00 0.00 H new ATOM 0 HE ARG A 63 6.779 -11.708 0.223 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.847 -13.544 -0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.561 -15.096 -0.061 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.709 -13.714 0.757 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.744 -15.191 0.655 1.00 0.00 H new ATOM 916 N ARG A 64 2.685 -7.463 -3.443 1.00 0.00 N ATOM 917 CA ARG A 64 1.932 -6.984 -4.578 1.00 0.00 C ATOM 918 C ARG A 64 1.004 -5.879 -4.116 1.00 0.00 C ATOM 919 O ARG A 64 0.799 -5.724 -2.927 1.00 0.00 O ATOM 920 CB ARG A 64 1.189 -8.128 -5.286 1.00 0.00 C ATOM 921 CG ARG A 64 0.075 -8.794 -4.538 1.00 0.00 C ATOM 922 CD ARG A 64 -0.412 -10.004 -5.330 1.00 0.00 C ATOM 923 NE ARG A 64 0.358 -11.213 -5.015 1.00 0.00 N ATOM 924 CZ ARG A 64 1.153 -11.859 -5.872 1.00 0.00 C ATOM 925 NH1 ARG A 64 1.319 -11.416 -7.112 1.00 0.00 N ATOM 926 NH2 ARG A 64 1.785 -12.960 -5.487 1.00 0.00 N ATOM 0 H ARG A 64 2.116 -7.842 -2.687 1.00 0.00 H new ATOM 0 HA ARG A 64 2.612 -6.573 -5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.782 -7.739 -6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.920 -8.892 -5.551 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.419 -9.105 -3.552 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.745 -8.092 -4.383 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.466 -10.179 -5.114 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.336 -9.794 -6.397 1.00 0.00 H new ATOM 0 HE ARG A 64 0.280 -11.588 -4.070 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.836 -10.572 -7.421 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.929 -11.919 -7.756 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.663 -13.312 -4.537 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.392 -13.454 -6.141 1.00 0.00 H new ATOM 940 N TYR A 65 0.512 -5.077 -5.040 1.00 0.00 N ATOM 941 CA TYR A 65 -0.331 -3.934 -4.707 1.00 0.00 C ATOM 942 C TYR A 65 -0.969 -3.387 -5.954 1.00 0.00 C ATOM 943 O TYR A 65 -0.343 -3.349 -7.005 1.00 0.00 O ATOM 944 CB TYR A 65 0.470 -2.853 -3.979 1.00 0.00 C ATOM 945 CG TYR A 65 1.746 -2.441 -4.673 1.00 0.00 C ATOM 946 CD1 TYR A 65 2.837 -3.290 -4.728 1.00 0.00 C ATOM 947 CD2 TYR A 65 1.870 -1.194 -5.250 1.00 0.00 C ATOM 948 CE1 TYR A 65 4.000 -2.907 -5.348 1.00 0.00 C ATOM 949 CE2 TYR A 65 3.020 -0.807 -5.859 1.00 0.00 C ATOM 950 CZ TYR A 65 4.089 -1.662 -5.916 1.00 0.00 C ATOM 951 OH TYR A 65 5.249 -1.275 -6.546 1.00 0.00 O ATOM 0 H TYR A 65 0.681 -5.194 -6.039 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.118 -4.267 -4.031 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.161 -1.973 -3.855 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.715 -3.212 -2.980 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.773 -4.269 -4.276 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.034 -0.511 -5.217 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.841 -3.583 -5.388 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.092 0.177 -6.299 1.00 0.00 H new ATOM 0 HH TYR A 65 5.812 -0.776 -5.918 1.00 0.00 H new ATOM 961 N GLY A 66 -2.222 -2.984 -5.850 1.00 0.00 N ATOM 962 CA GLY A 66 -2.983 -2.751 -7.042 1.00 0.00 C ATOM 963 C GLY A 66 -4.057 -1.725 -6.924 1.00 0.00 C ATOM 964 O GLY A 66 -4.169 -0.991 -5.944 1.00 0.00 O ATOM 0 H GLY A 66 -2.715 -2.817 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.300 -2.448 -7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.436 -3.692 -7.354 1.00 0.00 H new ATOM 968 N TYR A 67 -4.894 -1.785 -7.926 1.00 0.00 N ATOM 969 CA TYR A 67 -5.931 -0.823 -8.179 1.00 0.00 C ATOM 970 C TYR A 67 -6.902 -1.425 -9.178 1.00 0.00 C ATOM 971 O TYR A 67 -6.493 -1.894 -10.242 1.00 0.00 O ATOM 972 CB TYR A 67 -5.322 0.450 -8.774 1.00 0.00 C ATOM 973 CG TYR A 67 -6.216 1.133 -9.788 1.00 0.00 C ATOM 974 CD1 TYR A 67 -7.447 1.626 -9.409 1.00 0.00 C ATOM 975 CD2 TYR A 67 -5.823 1.290 -11.110 1.00 0.00 C ATOM 976 CE1 TYR A 67 -8.276 2.256 -10.307 1.00 0.00 C ATOM 977 CE2 TYR A 67 -6.646 1.920 -12.026 1.00 0.00 C ATOM 978 CZ TYR A 67 -7.873 2.403 -11.621 1.00 0.00 C ATOM 979 OH TYR A 67 -8.692 3.034 -12.530 1.00 0.00 O ATOM 0 H TYR A 67 -4.870 -2.536 -8.615 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.443 -0.572 -7.250 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.102 1.149 -7.967 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.373 0.201 -9.248 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.767 1.515 -8.384 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.861 0.915 -11.428 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.236 2.634 -9.988 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.330 2.033 -13.052 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.255 3.052 -13.407 1.00 0.00 H new ATOM 989 N ASP A 68 -8.160 -1.449 -8.818 1.00 0.00 N ATOM 990 CA ASP A 68 -9.220 -1.657 -9.767 1.00 0.00 C ATOM 991 C ASP A 68 -10.354 -0.740 -9.361 1.00 0.00 C ATOM 992 O ASP A 68 -10.196 -0.081 -8.353 1.00 0.00 O ATOM 993 CB ASP A 68 -9.628 -3.116 -9.860 1.00 0.00 C ATOM 994 CG ASP A 68 -10.618 -3.357 -11.003 1.00 0.00 C ATOM 995 OD1 ASP A 68 -11.851 -3.214 -10.811 1.00 0.00 O ATOM 996 OD2 ASP A 68 -10.161 -3.670 -12.121 1.00 0.00 O ATOM 0 H ASP A 68 -8.477 -1.324 -7.857 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.893 -1.411 -10.777 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.742 -3.733 -10.010 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.078 -3.429 -8.918 1.00 0.00 H new ATOM 1001 N SER A 69 -11.403 -0.602 -10.176 1.00 0.00 N ATOM 1002 CA SER A 69 -12.548 0.257 -9.876 1.00 0.00 C ATOM 1003 C SER A 69 -12.753 0.502 -8.370 1.00 0.00 C ATOM 1004 O SER A 69 -13.347 -0.321 -7.668 1.00 0.00 O ATOM 1005 CB SER A 69 -13.813 -0.333 -10.498 1.00 0.00 C ATOM 1006 OG SER A 69 -13.930 -1.719 -10.212 1.00 0.00 O ATOM 0 H SER A 69 -11.481 -1.088 -11.069 1.00 0.00 H new ATOM 0 HA SER A 69 -12.335 1.232 -10.314 1.00 0.00 H new ATOM 0 HB2 SER A 69 -14.688 0.194 -10.118 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.794 -0.182 -11.577 1.00 0.00 H new ATOM 0 HG SER A 69 -13.265 -2.217 -10.731 1.00 0.00 H new ATOM 1012 N ASN A 70 -12.230 1.648 -7.908 1.00 0.00 N ATOM 1013 CA ASN A 70 -12.221 2.055 -6.493 1.00 0.00 C ATOM 1014 C ASN A 70 -11.845 0.923 -5.532 1.00 0.00 C ATOM 1015 O ASN A 70 -12.357 0.837 -4.427 1.00 0.00 O ATOM 1016 CB ASN A 70 -13.530 2.714 -6.060 1.00 0.00 C ATOM 1017 CG ASN A 70 -14.766 1.852 -6.224 1.00 0.00 C ATOM 1018 OD1 ASN A 70 -15.135 1.084 -5.338 1.00 0.00 O ATOM 1019 ND2 ASN A 70 -15.432 2.000 -7.351 1.00 0.00 N ATOM 0 H ASN A 70 -11.791 2.334 -8.522 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.431 2.803 -6.429 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.444 3.004 -5.013 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.666 3.630 -6.635 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -16.287 1.467 -7.512 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.093 2.648 -8.062 1.00 0.00 H new ATOM 1026 N LEU A 71 -10.921 0.087 -5.949 1.00 0.00 N ATOM 1027 CA LEU A 71 -10.384 -0.969 -5.112 1.00 0.00 C ATOM 1028 C LEU A 71 -8.847 -0.890 -5.159 1.00 0.00 C ATOM 1029 O LEU A 71 -8.254 -1.172 -6.194 1.00 0.00 O ATOM 1030 CB LEU A 71 -10.843 -2.338 -5.670 1.00 0.00 C ATOM 1031 CG LEU A 71 -11.694 -3.248 -4.757 1.00 0.00 C ATOM 1032 CD1 LEU A 71 -11.369 -4.731 -4.911 1.00 0.00 C ATOM 1033 CD2 LEU A 71 -11.568 -2.877 -3.302 1.00 0.00 C ATOM 0 H LEU A 71 -10.516 0.119 -6.885 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.735 -0.858 -4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.413 -2.153 -6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.952 -2.896 -5.959 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.719 -3.083 -5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.002 -5.314 -4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.550 -5.038 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.322 -4.902 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.185 -3.546 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.527 -2.968 -2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.901 -1.849 -3.158 1.00 0.00 H new ATOM 1045 N PHE A 72 -8.195 -0.513 -4.062 1.00 0.00 N ATOM 1046 CA PHE A 72 -6.728 -0.522 -4.011 1.00 0.00 C ATOM 1047 C PHE A 72 -6.289 -1.665 -3.121 1.00 0.00 C ATOM 1048 O PHE A 72 -6.882 -1.901 -2.075 1.00 0.00 O ATOM 1049 CB PHE A 72 -6.131 0.826 -3.529 1.00 0.00 C ATOM 1050 CG PHE A 72 -5.085 0.724 -2.454 1.00 0.00 C ATOM 1051 CD1 PHE A 72 -5.454 0.716 -1.128 1.00 0.00 C ATOM 1052 CD2 PHE A 72 -3.729 0.654 -2.761 1.00 0.00 C ATOM 1053 CE1 PHE A 72 -4.499 0.642 -0.147 1.00 0.00 C ATOM 1054 CE2 PHE A 72 -2.789 0.585 -1.782 1.00 0.00 C ATOM 1055 CZ PHE A 72 -3.169 0.581 -0.486 1.00 0.00 C ATOM 0 H PHE A 72 -8.649 -0.200 -3.204 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.348 -0.663 -5.023 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.696 1.338 -4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.944 1.453 -3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.499 0.768 -0.860 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.419 0.655 -3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.792 0.632 0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.741 0.534 -2.040 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.421 0.529 0.291 1.00 0.00 H new ATOM 1065 N SER A 73 -5.276 -2.383 -3.532 1.00 0.00 N ATOM 1066 CA SER A 73 -4.880 -3.565 -2.805 1.00 0.00 C ATOM 1067 C SER A 73 -3.377 -3.628 -2.598 1.00 0.00 C ATOM 1068 O SER A 73 -2.630 -2.860 -3.198 1.00 0.00 O ATOM 1069 CB SER A 73 -5.347 -4.796 -3.559 1.00 0.00 C ATOM 1070 OG SER A 73 -4.920 -5.990 -2.933 1.00 0.00 O ATOM 0 H SER A 73 -4.714 -2.175 -4.357 1.00 0.00 H new ATOM 0 HA SER A 73 -5.345 -3.527 -1.820 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.435 -4.790 -3.626 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.965 -4.764 -4.579 1.00 0.00 H new ATOM 0 HG SER A 73 -5.145 -5.958 -1.980 1.00 0.00 H new ATOM 1076 N PHE A 74 -2.962 -4.536 -1.728 1.00 0.00 N ATOM 1077 CA PHE A 74 -1.570 -4.904 -1.575 1.00 0.00 C ATOM 1078 C PHE A 74 -1.465 -6.245 -0.837 1.00 0.00 C ATOM 1079 O PHE A 74 -2.277 -6.546 0.041 1.00 0.00 O ATOM 1080 CB PHE A 74 -0.765 -3.797 -0.876 1.00 0.00 C ATOM 1081 CG PHE A 74 -1.359 -3.270 0.391 1.00 0.00 C ATOM 1082 CD1 PHE A 74 -1.605 -4.118 1.451 1.00 0.00 C ATOM 1083 CD2 PHE A 74 -1.651 -1.917 0.534 1.00 0.00 C ATOM 1084 CE1 PHE A 74 -2.135 -3.647 2.621 1.00 0.00 C ATOM 1085 CE2 PHE A 74 -2.176 -1.445 1.715 1.00 0.00 C ATOM 1086 CZ PHE A 74 -2.419 -2.308 2.754 1.00 0.00 C ATOM 0 H PHE A 74 -3.591 -5.041 -1.104 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.130 -5.024 -2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.232 -4.180 -0.657 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.642 -2.967 -1.572 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.376 -5.169 1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.465 -1.236 -0.284 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.330 -4.325 3.438 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.397 -0.394 1.825 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.834 -1.935 3.678 1.00 0.00 H new ATOM 1096 N GLU A 75 -0.513 -7.076 -1.240 1.00 0.00 N ATOM 1097 CA GLU A 75 -0.226 -8.307 -0.527 1.00 0.00 C ATOM 1098 C GLU A 75 0.913 -8.065 0.426 1.00 0.00 C ATOM 1099 O GLU A 75 2.050 -7.958 -0.011 1.00 0.00 O ATOM 1100 CB GLU A 75 0.178 -9.450 -1.445 1.00 0.00 C ATOM 1101 CG GLU A 75 0.346 -10.768 -0.699 1.00 0.00 C ATOM 1102 CD GLU A 75 0.938 -11.862 -1.555 1.00 0.00 C ATOM 1103 OE1 GLU A 75 0.291 -12.267 -2.541 1.00 0.00 O ATOM 1104 OE2 GLU A 75 2.046 -12.338 -1.237 1.00 0.00 O ATOM 0 H GLU A 75 0.073 -6.917 -2.059 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.144 -8.593 -0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.576 -9.570 -2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.113 -9.197 -1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.985 -10.608 0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.625 -11.093 -0.325 1.00 0.00 H new ATOM 1111 N SER A 76 0.639 -7.965 1.702 1.00 0.00 N ATOM 1112 CA SER A 76 1.710 -7.770 2.646 1.00 0.00 C ATOM 1113 C SER A 76 2.311 -9.130 3.014 1.00 0.00 C ATOM 1114 O SER A 76 1.601 -10.051 3.432 1.00 0.00 O ATOM 1115 CB SER A 76 1.183 -7.011 3.863 1.00 0.00 C ATOM 1116 OG SER A 76 0.184 -7.756 4.546 1.00 0.00 O ATOM 0 H SER A 76 -0.297 -8.014 2.106 1.00 0.00 H new ATOM 0 HA SER A 76 2.506 -7.167 2.209 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.007 -6.795 4.543 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.771 -6.053 3.546 1.00 0.00 H new ATOM 0 HG SER A 76 0.283 -8.707 4.333 1.00 0.00 H new ATOM 1122 N GLY A 77 3.627 -9.245 2.832 1.00 0.00 N ATOM 1123 CA GLY A 77 4.307 -10.519 2.981 1.00 0.00 C ATOM 1124 C GLY A 77 4.420 -10.952 4.421 1.00 0.00 C ATOM 1125 O GLY A 77 4.207 -12.114 4.745 1.00 0.00 O ATOM 0 H GLY A 77 4.238 -8.468 2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.769 -11.282 2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.305 -10.447 2.548 1.00 0.00 H new ATOM 1129 N ARG A 78 4.769 -10.020 5.286 1.00 0.00 N ATOM 1130 CA ARG A 78 4.792 -10.302 6.704 1.00 0.00 C ATOM 1131 C ARG A 78 3.465 -9.892 7.298 1.00 0.00 C ATOM 1132 O ARG A 78 2.754 -9.060 6.731 1.00 0.00 O ATOM 1133 CB ARG A 78 5.950 -9.583 7.402 1.00 0.00 C ATOM 1134 CG ARG A 78 7.320 -10.098 6.992 1.00 0.00 C ATOM 1135 CD ARG A 78 7.455 -11.593 7.247 1.00 0.00 C ATOM 1136 NE ARG A 78 8.757 -12.110 6.829 1.00 0.00 N ATOM 1137 CZ ARG A 78 8.919 -13.143 6.004 1.00 0.00 C ATOM 1138 NH1 ARG A 78 7.863 -13.786 5.523 1.00 0.00 N ATOM 1139 NH2 ARG A 78 10.142 -13.536 5.673 1.00 0.00 N ATOM 0 H ARG A 78 5.038 -9.069 5.033 1.00 0.00 H new ATOM 0 HA ARG A 78 4.950 -11.370 6.854 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.891 -8.517 7.182 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.838 -9.692 8.481 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.485 -9.892 5.934 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.091 -9.563 7.545 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.311 -11.793 8.309 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.667 -12.123 6.713 1.00 0.00 H new ATOM 0 HE ARG A 78 9.593 -11.651 7.191 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.923 -13.490 5.785 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.991 -14.577 4.891 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.954 -13.048 6.050 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.270 -14.327 5.041 1.00 0.00 H new ATOM 1153 N ARG A 79 3.126 -10.480 8.423 1.00 0.00 N ATOM 1154 CA ARG A 79 1.828 -10.262 9.014 1.00 0.00 C ATOM 1155 C ARG A 79 1.734 -8.870 9.584 1.00 0.00 C ATOM 1156 O ARG A 79 2.732 -8.270 9.983 1.00 0.00 O ATOM 1157 CB ARG A 79 1.543 -11.302 10.075 1.00 0.00 C ATOM 1158 CG ARG A 79 1.566 -12.703 9.511 1.00 0.00 C ATOM 1159 CD ARG A 79 1.616 -13.749 10.598 1.00 0.00 C ATOM 1160 NE ARG A 79 1.886 -15.071 10.044 1.00 0.00 N ATOM 1161 CZ ARG A 79 2.551 -16.030 10.685 1.00 0.00 C ATOM 1162 NH1 ARG A 79 2.933 -15.860 11.944 1.00 0.00 N ATOM 1163 NH2 ARG A 79 2.834 -17.166 10.065 1.00 0.00 N ATOM 0 H ARG A 79 3.732 -11.112 8.946 1.00 0.00 H new ATOM 0 HA ARG A 79 1.073 -10.361 8.234 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.282 -11.219 10.872 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.568 -11.107 10.522 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.680 -12.861 8.896 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.431 -12.817 8.858 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.389 -13.490 11.321 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.668 -13.764 11.136 1.00 0.00 H new ATOM 0 HE ARG A 79 1.543 -15.274 9.105 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.718 -14.989 12.429 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.442 -16.600 12.427 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.543 -17.305 9.098 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.343 -17.901 10.555 1.00 0.00 H new ATOM 1177 N CYS A 80 0.530 -8.372 9.618 1.00 0.00 N ATOM 1178 CA CYS A 80 0.279 -6.999 9.984 1.00 0.00 C ATOM 1179 C CYS A 80 -0.888 -6.921 10.954 1.00 0.00 C ATOM 1180 O CYS A 80 -1.392 -7.946 11.408 1.00 0.00 O ATOM 1181 CB CYS A 80 -0.011 -6.177 8.730 1.00 0.00 C ATOM 1182 SG CYS A 80 1.357 -6.140 7.548 1.00 0.00 S ATOM 0 H CYS A 80 -0.310 -8.905 9.393 1.00 0.00 H new ATOM 0 HA CYS A 80 1.162 -6.591 10.476 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.894 -6.583 8.237 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.252 -5.156 9.024 1.00 0.00 H new ATOM 0 HG CYS A 80 0.990 -5.496 6.480 1.00 0.00 H new ATOM 1188 N GLN A 81 -1.297 -5.705 11.269 1.00 0.00 N ATOM 1189 CA GLN A 81 -2.444 -5.458 12.133 1.00 0.00 C ATOM 1190 C GLN A 81 -3.671 -6.226 11.667 1.00 0.00 C ATOM 1191 O GLN A 81 -4.266 -6.992 12.420 1.00 0.00 O ATOM 1192 CB GLN A 81 -2.759 -3.981 12.104 1.00 0.00 C ATOM 1193 CG GLN A 81 -3.843 -3.558 13.056 1.00 0.00 C ATOM 1194 CD GLN A 81 -3.367 -3.446 14.489 1.00 0.00 C ATOM 1195 OE1 GLN A 81 -2.471 -4.170 14.925 1.00 0.00 O ATOM 1196 NE2 GLN A 81 -3.967 -2.533 15.228 1.00 0.00 N ATOM 0 H GLN A 81 -0.843 -4.856 10.933 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.194 -5.791 13.140 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.851 -3.424 12.336 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.053 -3.705 11.092 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.243 -2.596 12.737 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.662 -4.276 13.007 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.705 -1.955 14.825 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.693 -2.405 16.202 1.00 0.00 H new ATOM 1205 N THR A 82 -4.051 -6.007 10.422 1.00 0.00 N ATOM 1206 CA THR A 82 -5.265 -6.591 9.896 1.00 0.00 C ATOM 1207 C THR A 82 -5.067 -7.080 8.454 1.00 0.00 C ATOM 1208 O THR A 82 -6.029 -7.266 7.707 1.00 0.00 O ATOM 1209 CB THR A 82 -6.434 -5.579 9.999 1.00 0.00 C ATOM 1210 OG1 THR A 82 -7.627 -6.100 9.402 1.00 0.00 O ATOM 1211 CG2 THR A 82 -6.066 -4.249 9.363 1.00 0.00 C ATOM 0 H THR A 82 -3.535 -5.429 9.759 1.00 0.00 H new ATOM 0 HA THR A 82 -5.518 -7.464 10.498 1.00 0.00 H new ATOM 0 HB THR A 82 -6.626 -5.413 11.059 1.00 0.00 H new ATOM 0 HG1 THR A 82 -7.393 -6.814 8.773 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.905 -3.559 9.450 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.198 -3.830 9.872 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.830 -4.402 8.310 1.00 0.00 H new ATOM 1219 N GLY A 83 -3.813 -7.314 8.079 1.00 0.00 N ATOM 1220 CA GLY A 83 -3.495 -7.658 6.702 1.00 0.00 C ATOM 1221 C GLY A 83 -3.691 -9.129 6.384 1.00 0.00 C ATOM 1222 O GLY A 83 -4.558 -9.482 5.582 1.00 0.00 O ATOM 0 H GLY A 83 -3.009 -7.272 8.705 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.119 -7.064 6.034 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.460 -7.385 6.498 1.00 0.00 H new ATOM 1226 N GLN A 84 -2.863 -9.978 6.999 1.00 0.00 N ATOM 1227 CA GLN A 84 -2.873 -11.436 6.790 1.00 0.00 C ATOM 1228 C GLN A 84 -2.321 -11.841 5.417 1.00 0.00 C ATOM 1229 O GLN A 84 -1.779 -12.935 5.265 1.00 0.00 O ATOM 1230 CB GLN A 84 -4.273 -12.027 6.994 1.00 0.00 C ATOM 1231 CG GLN A 84 -4.790 -11.884 8.417 1.00 0.00 C ATOM 1232 CD GLN A 84 -6.099 -12.611 8.640 1.00 0.00 C ATOM 1233 OE1 GLN A 84 -6.902 -12.768 7.721 1.00 0.00 O ATOM 1234 NE2 GLN A 84 -6.323 -13.064 9.863 1.00 0.00 N ATOM 0 H GLN A 84 -2.155 -9.671 7.666 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.207 -11.851 7.546 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.968 -11.537 6.312 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.255 -13.084 6.727 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.043 -12.269 9.111 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.923 -10.827 8.646 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.631 -12.913 10.597 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.187 -13.564 10.071 1.00 0.00 H new ATOM 1243 N GLY A 85 -2.447 -10.965 4.432 1.00 0.00 N ATOM 1244 CA GLY A 85 -1.951 -11.260 3.100 1.00 0.00 C ATOM 1245 C GLY A 85 -2.410 -10.226 2.098 1.00 0.00 C ATOM 1246 O GLY A 85 -2.158 -9.035 2.281 1.00 0.00 O ATOM 0 H GLY A 85 -2.886 -10.050 4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.862 -11.295 3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.297 -12.246 2.792 1.00 0.00 H new ATOM 1250 N ILE A 86 -3.070 -10.671 1.034 1.00 0.00 N ATOM 1251 CA ILE A 86 -3.711 -9.748 0.110 1.00 0.00 C ATOM 1252 C ILE A 86 -4.876 -9.051 0.795 1.00 0.00 C ATOM 1253 O ILE A 86 -5.956 -9.626 0.967 1.00 0.00 O ATOM 1254 CB ILE A 86 -4.214 -10.437 -1.166 1.00 0.00 C ATOM 1255 CG1 ILE A 86 -3.018 -10.874 -2.005 1.00 0.00 C ATOM 1256 CG2 ILE A 86 -5.105 -9.488 -1.940 1.00 0.00 C ATOM 1257 CD1 ILE A 86 -3.136 -10.603 -3.486 1.00 0.00 C ATOM 0 H ILE A 86 -3.174 -11.657 0.793 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.953 -9.023 -0.185 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.800 -11.319 -0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.128 -10.369 -1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.864 -11.943 -1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.461 -9.980 -2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.957 -9.204 -1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.539 -8.596 -2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.235 -10.950 -3.992 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.003 -11.130 -3.884 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.255 -9.532 -3.652 1.00 0.00 H new ATOM 1269 N PHE A 87 -4.648 -7.821 1.196 1.00 0.00 N ATOM 1270 CA PHE A 87 -5.665 -7.042 1.863 1.00 0.00 C ATOM 1271 C PHE A 87 -5.987 -5.834 1.010 1.00 0.00 C ATOM 1272 O PHE A 87 -5.169 -4.929 0.845 1.00 0.00 O ATOM 1273 CB PHE A 87 -5.170 -6.645 3.259 1.00 0.00 C ATOM 1274 CG PHE A 87 -6.219 -6.105 4.201 1.00 0.00 C ATOM 1275 CD1 PHE A 87 -7.544 -6.519 4.139 1.00 0.00 C ATOM 1276 CD2 PHE A 87 -5.860 -5.190 5.172 1.00 0.00 C ATOM 1277 CE1 PHE A 87 -8.482 -6.018 5.031 1.00 0.00 C ATOM 1278 CE2 PHE A 87 -6.790 -4.692 6.063 1.00 0.00 C ATOM 1279 CZ PHE A 87 -8.097 -5.103 5.996 1.00 0.00 C ATOM 0 H PHE A 87 -3.760 -7.336 1.070 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.578 -7.623 1.992 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.708 -7.517 3.722 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.389 -5.893 3.146 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.846 -7.237 3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.834 -4.858 5.235 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.511 -6.342 4.972 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.488 -3.977 6.814 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.824 -4.714 6.694 1.00 0.00 H new ATOM 1289 N ALA A 88 -7.167 -5.859 0.425 1.00 0.00 N ATOM 1290 CA ALA A 88 -7.581 -4.819 -0.484 1.00 0.00 C ATOM 1291 C ALA A 88 -8.590 -3.894 0.185 1.00 0.00 C ATOM 1292 O ALA A 88 -9.384 -4.311 1.037 1.00 0.00 O ATOM 1293 CB ALA A 88 -8.154 -5.428 -1.744 1.00 0.00 C ATOM 0 H ALA A 88 -7.858 -6.596 0.567 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.711 -4.222 -0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.464 -4.634 -2.424 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.396 -6.044 -2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -9.016 -6.045 -1.490 1.00 0.00 H new ATOM 1299 N PHE A 89 -8.551 -2.638 -0.195 1.00 0.00 N ATOM 1300 CA PHE A 89 -9.453 -1.655 0.349 1.00 0.00 C ATOM 1301 C PHE A 89 -10.142 -0.968 -0.793 1.00 0.00 C ATOM 1302 O PHE A 89 -9.513 -0.618 -1.788 1.00 0.00 O ATOM 1303 CB PHE A 89 -8.728 -0.608 1.178 1.00 0.00 C ATOM 1304 CG PHE A 89 -7.655 -1.188 2.004 1.00 0.00 C ATOM 1305 CD1 PHE A 89 -6.421 -1.314 1.461 1.00 0.00 C ATOM 1306 CD2 PHE A 89 -7.873 -1.611 3.295 1.00 0.00 C ATOM 1307 CE1 PHE A 89 -5.391 -1.856 2.174 1.00 0.00 C ATOM 1308 CE2 PHE A 89 -6.845 -2.157 4.030 1.00 0.00 C ATOM 1309 CZ PHE A 89 -5.598 -2.283 3.467 1.00 0.00 C ATOM 0 H PHE A 89 -7.896 -2.272 -0.886 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.161 -2.166 1.001 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.305 0.147 0.515 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.445 -0.100 1.823 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.249 -0.981 0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.855 -1.514 3.734 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.414 -1.950 1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.018 -2.485 5.044 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.786 -2.714 4.034 1.00 0.00 H new ATOM 1319 N LYS A 90 -11.412 -0.765 -0.652 1.00 0.00 N ATOM 1320 CA LYS A 90 -12.177 -0.124 -1.667 1.00 0.00 C ATOM 1321 C LYS A 90 -11.912 1.373 -1.597 1.00 0.00 C ATOM 1322 O LYS A 90 -12.605 2.126 -0.911 1.00 0.00 O ATOM 1323 CB LYS A 90 -13.633 -0.452 -1.475 1.00 0.00 C ATOM 1324 CG LYS A 90 -14.426 -0.475 -2.745 1.00 0.00 C ATOM 1325 CD LYS A 90 -15.687 -1.293 -2.613 1.00 0.00 C ATOM 1326 CE LYS A 90 -16.488 -0.842 -1.429 1.00 0.00 C ATOM 1327 NZ LYS A 90 -17.768 -1.591 -1.320 1.00 0.00 N ATOM 0 H LYS A 90 -11.947 -1.040 0.172 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.891 -0.476 -2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.715 -1.425 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.073 0.280 -0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.684 0.545 -3.029 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.812 -0.883 -3.548 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.284 -1.199 -3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.433 -2.348 -2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.905 -0.982 -0.519 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.695 0.225 -1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -18.045 -1.661 -0.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.509 -1.091 -1.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.646 -2.546 -1.713 1.00 0.00 H new ATOM 1341 N CYS A 91 -10.864 1.778 -2.281 1.00 0.00 N ATOM 1342 CA CYS A 91 -10.408 3.153 -2.258 1.00 0.00 C ATOM 1343 C CYS A 91 -10.826 3.832 -3.551 1.00 0.00 C ATOM 1344 O CYS A 91 -10.449 3.376 -4.620 1.00 0.00 O ATOM 1345 CB CYS A 91 -8.883 3.220 -2.127 1.00 0.00 C ATOM 1346 SG CYS A 91 -8.235 4.907 -2.147 1.00 0.00 S ATOM 0 H CYS A 91 -10.302 1.163 -2.870 1.00 0.00 H new ATOM 0 HA CYS A 91 -10.853 3.656 -1.400 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.584 2.735 -1.198 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.430 2.655 -2.942 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.837 5.614 -1.237 1.00 0.00 H new ATOM 1352 N ALA A 92 -11.590 4.910 -3.483 1.00 0.00 N ATOM 1353 CA ALA A 92 -12.006 5.577 -4.709 1.00 0.00 C ATOM 1354 C ALA A 92 -10.830 6.289 -5.354 1.00 0.00 C ATOM 1355 O ALA A 92 -10.848 6.592 -6.546 1.00 0.00 O ATOM 1356 CB ALA A 92 -13.154 6.529 -4.472 1.00 0.00 C ATOM 0 H ALA A 92 -11.928 5.334 -2.619 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.365 4.810 -5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.432 7.005 -5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -14.008 5.978 -4.077 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.852 7.292 -3.755 1.00 0.00 H new ATOM 1362 N ARG A 93 -9.802 6.558 -4.560 1.00 0.00 N ATOM 1363 CA ARG A 93 -8.523 6.969 -5.109 1.00 0.00 C ATOM 1364 C ARG A 93 -7.613 5.769 -5.208 1.00 0.00 C ATOM 1365 O ARG A 93 -6.437 5.906 -5.015 1.00 0.00 O ATOM 1366 CB ARG A 93 -7.808 8.049 -4.269 1.00 0.00 C ATOM 1367 CG ARG A 93 -8.221 9.471 -4.593 1.00 0.00 C ATOM 1368 CD ARG A 93 -9.728 9.640 -4.548 1.00 0.00 C ATOM 1369 NE ARG A 93 -10.198 10.704 -5.425 1.00 0.00 N ATOM 1370 CZ ARG A 93 -11.484 10.980 -5.616 1.00 0.00 C ATOM 1371 NH1 ARG A 93 -12.412 10.351 -4.905 1.00 0.00 N ATOM 1372 NH2 ARG A 93 -11.851 11.895 -6.503 1.00 0.00 N ATOM 0 H ARG A 93 -9.831 6.499 -3.542 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.734 7.401 -6.087 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.003 7.859 -3.214 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.732 7.954 -4.417 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.756 10.156 -3.884 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.854 9.740 -5.583 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.204 8.702 -4.833 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -10.036 9.855 -3.525 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.504 11.266 -5.918 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -12.138 9.655 -4.211 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -13.399 10.564 -5.052 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.144 12.393 -7.045 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.840 12.101 -6.644 1.00 0.00 H new ATOM 1386 N ALA A 94 -8.165 4.588 -5.459 1.00 0.00 N ATOM 1387 CA ALA A 94 -7.347 3.385 -5.624 1.00 0.00 C ATOM 1388 C ALA A 94 -6.270 3.636 -6.649 1.00 0.00 C ATOM 1389 O ALA A 94 -5.091 3.475 -6.389 1.00 0.00 O ATOM 1390 CB ALA A 94 -8.187 2.236 -6.126 1.00 0.00 C ATOM 0 H ALA A 94 -9.169 4.434 -5.553 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.915 3.140 -4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.561 1.351 -6.242 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.982 2.027 -5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.625 2.499 -7.089 1.00 0.00 H new ATOM 1396 N GLU A 95 -6.737 4.000 -7.827 1.00 0.00 N ATOM 1397 CA GLU A 95 -5.889 4.407 -8.948 1.00 0.00 C ATOM 1398 C GLU A 95 -4.777 5.330 -8.487 1.00 0.00 C ATOM 1399 O GLU A 95 -3.596 5.060 -8.679 1.00 0.00 O ATOM 1400 CB GLU A 95 -6.765 5.108 -9.994 1.00 0.00 C ATOM 1401 CG GLU A 95 -7.902 5.924 -9.384 1.00 0.00 C ATOM 1402 CD GLU A 95 -8.974 6.308 -10.382 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -8.826 7.340 -11.069 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -9.992 5.588 -10.463 1.00 0.00 O ATOM 0 H GLU A 95 -7.733 4.024 -8.044 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.421 3.524 -9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.140 5.765 -10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.185 4.360 -10.666 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.357 5.351 -8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.490 6.830 -8.939 1.00 0.00 H new ATOM 1411 N GLU A 96 -5.195 6.399 -7.859 1.00 0.00 N ATOM 1412 CA GLU A 96 -4.307 7.409 -7.322 1.00 0.00 C ATOM 1413 C GLU A 96 -3.400 6.837 -6.241 1.00 0.00 C ATOM 1414 O GLU A 96 -2.193 7.051 -6.252 1.00 0.00 O ATOM 1415 CB GLU A 96 -5.181 8.508 -6.735 1.00 0.00 C ATOM 1416 CG GLU A 96 -4.453 9.778 -6.401 1.00 0.00 C ATOM 1417 CD GLU A 96 -3.724 10.366 -7.587 1.00 0.00 C ATOM 1418 OE1 GLU A 96 -4.389 10.920 -8.491 1.00 0.00 O ATOM 1419 OE2 GLU A 96 -2.486 10.265 -7.636 1.00 0.00 O ATOM 0 H GLU A 96 -6.183 6.600 -7.701 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.662 7.792 -8.113 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.977 8.737 -7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.658 8.130 -5.831 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.165 10.510 -6.019 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.738 9.582 -5.602 1.00 0.00 H new ATOM 1426 N LEU A 97 -4.001 6.118 -5.314 1.00 0.00 N ATOM 1427 CA LEU A 97 -3.320 5.561 -4.182 1.00 0.00 C ATOM 1428 C LEU A 97 -2.308 4.529 -4.618 1.00 0.00 C ATOM 1429 O LEU A 97 -1.123 4.682 -4.369 1.00 0.00 O ATOM 1430 CB LEU A 97 -4.343 4.933 -3.255 1.00 0.00 C ATOM 1431 CG LEU A 97 -3.930 4.940 -1.805 1.00 0.00 C ATOM 1432 CD1 LEU A 97 -5.127 5.013 -0.926 1.00 0.00 C ATOM 1433 CD2 LEU A 97 -3.197 3.674 -1.496 1.00 0.00 C ATOM 0 H LEU A 97 -4.998 5.905 -5.335 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.784 6.354 -3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.288 5.466 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.521 3.904 -3.568 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.294 5.807 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.812 5.017 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.681 5.926 -1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.766 4.149 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.896 3.674 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.848 2.821 -1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.312 3.603 -2.128 1.00 0.00 H new ATOM 1445 N PHE A 98 -2.783 3.489 -5.274 1.00 0.00 N ATOM 1446 CA PHE A 98 -1.909 2.463 -5.786 1.00 0.00 C ATOM 1447 C PHE A 98 -0.731 3.108 -6.503 1.00 0.00 C ATOM 1448 O PHE A 98 0.414 2.855 -6.158 1.00 0.00 O ATOM 1449 CB PHE A 98 -2.670 1.530 -6.734 1.00 0.00 C ATOM 1450 CG PHE A 98 -1.763 0.809 -7.666 1.00 0.00 C ATOM 1451 CD1 PHE A 98 -0.805 -0.016 -7.150 1.00 0.00 C ATOM 1452 CD2 PHE A 98 -1.823 1.004 -9.036 1.00 0.00 C ATOM 1453 CE1 PHE A 98 0.095 -0.639 -7.960 1.00 0.00 C ATOM 1454 CE2 PHE A 98 -0.929 0.362 -9.867 1.00 0.00 C ATOM 1455 CZ PHE A 98 0.040 -0.457 -9.321 1.00 0.00 C ATOM 0 H PHE A 98 -3.773 3.336 -5.463 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.536 1.866 -4.954 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.237 0.806 -6.149 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.392 2.110 -7.309 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.760 -0.177 -6.083 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.572 1.660 -9.454 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.854 -1.277 -7.532 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.986 0.499 -10.937 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.753 -0.953 -9.962 1.00 0.00 H new ATOM 1465 N ASN A 99 -1.044 3.965 -7.468 1.00 0.00 N ATOM 1466 CA ASN A 99 -0.044 4.747 -8.205 1.00 0.00 C ATOM 1467 C ASN A 99 0.911 5.422 -7.267 1.00 0.00 C ATOM 1468 O ASN A 99 2.090 5.100 -7.276 1.00 0.00 O ATOM 1469 CB ASN A 99 -0.732 5.812 -9.062 1.00 0.00 C ATOM 1470 CG ASN A 99 0.068 6.195 -10.292 1.00 0.00 C ATOM 1471 OD1 ASN A 99 1.288 6.060 -10.329 1.00 0.00 O ATOM 1472 ND2 ASN A 99 -0.617 6.692 -11.310 1.00 0.00 N ATOM 0 H ASN A 99 -2.003 4.142 -7.767 1.00 0.00 H new ATOM 0 HA ASN A 99 0.510 4.058 -8.842 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.710 5.444 -9.372 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.904 6.702 -8.456 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.132 6.977 -12.161 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -1.630 6.790 -11.244 1.00 0.00 H new ATOM 1479 N MET A 100 0.394 6.332 -6.457 1.00 0.00 N ATOM 1480 CA MET A 100 1.208 7.089 -5.527 1.00 0.00 C ATOM 1481 C MET A 100 2.134 6.142 -4.790 1.00 0.00 C ATOM 1482 O MET A 100 3.344 6.332 -4.778 1.00 0.00 O ATOM 1483 CB MET A 100 0.306 7.834 -4.550 1.00 0.00 C ATOM 1484 CG MET A 100 1.031 8.861 -3.711 1.00 0.00 C ATOM 1485 SD MET A 100 0.357 9.014 -2.061 1.00 0.00 S ATOM 1486 CE MET A 100 -1.348 9.255 -2.471 1.00 0.00 C ATOM 0 H MET A 100 -0.599 6.564 -6.428 1.00 0.00 H new ATOM 0 HA MET A 100 1.810 7.820 -6.066 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.488 8.330 -5.109 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.173 7.112 -3.889 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.085 8.590 -3.644 1.00 0.00 H new ATOM 0 HG3 MET A 100 0.982 9.829 -4.209 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.942 9.282 -1.557 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.464 10.197 -3.007 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.690 8.434 -3.102 1.00 0.00 H new ATOM 1496 N LEU A 101 1.544 5.108 -4.215 1.00 0.00 N ATOM 1497 CA LEU A 101 2.285 4.008 -3.616 1.00 0.00 C ATOM 1498 C LEU A 101 3.412 3.506 -4.519 1.00 0.00 C ATOM 1499 O LEU A 101 4.571 3.547 -4.111 1.00 0.00 O ATOM 1500 CB LEU A 101 1.308 2.874 -3.284 1.00 0.00 C ATOM 1501 CG LEU A 101 1.901 1.490 -3.070 1.00 0.00 C ATOM 1502 CD1 LEU A 101 2.907 1.487 -1.946 1.00 0.00 C ATOM 1503 CD2 LEU A 101 0.788 0.510 -2.782 1.00 0.00 C ATOM 0 H LEU A 101 0.531 5.006 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 101 2.760 4.370 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.762 3.151 -2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.579 2.809 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 101 2.426 1.194 -3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.310 0.482 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.718 2.177 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.421 1.800 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.209 -0.484 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.253 0.821 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.098 0.485 -3.625 1.00 0.00 H new ATOM 1515 N GLN A 102 3.088 3.043 -5.734 1.00 0.00 N ATOM 1516 CA GLN A 102 4.119 2.500 -6.621 1.00 0.00 C ATOM 1517 C GLN A 102 5.216 3.540 -6.864 1.00 0.00 C ATOM 1518 O GLN A 102 6.397 3.205 -6.910 1.00 0.00 O ATOM 1519 CB GLN A 102 3.589 2.012 -7.979 1.00 0.00 C ATOM 1520 CG GLN A 102 2.122 2.011 -8.172 1.00 0.00 C ATOM 1521 CD GLN A 102 1.774 2.209 -9.634 1.00 0.00 C ATOM 1522 OE1 GLN A 102 0.731 2.749 -9.991 1.00 0.00 O ATOM 1523 NE2 GLN A 102 2.674 1.794 -10.491 1.00 0.00 N ATOM 0 H GLN A 102 2.142 3.034 -6.116 1.00 0.00 H new ATOM 0 HA GLN A 102 4.515 1.627 -6.101 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.032 2.634 -8.757 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.951 0.996 -8.138 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.704 1.069 -7.818 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.671 2.804 -7.575 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.529 1.349 -10.157 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.519 1.916 -11.492 1.00 0.00 H new ATOM 1532 N GLU A 103 4.825 4.811 -6.999 1.00 0.00 N ATOM 1533 CA GLU A 103 5.798 5.882 -7.220 1.00 0.00 C ATOM 1534 C GLU A 103 6.637 6.090 -5.988 1.00 0.00 C ATOM 1535 O GLU A 103 7.854 6.172 -6.076 1.00 0.00 O ATOM 1536 CB GLU A 103 5.152 7.222 -7.533 1.00 0.00 C ATOM 1537 CG GLU A 103 3.752 7.156 -8.058 1.00 0.00 C ATOM 1538 CD GLU A 103 3.526 8.065 -9.240 1.00 0.00 C ATOM 1539 OE1 GLU A 103 3.820 7.645 -10.378 1.00 0.00 O ATOM 1540 OE2 GLU A 103 3.062 9.203 -9.037 1.00 0.00 O ATOM 0 H GLU A 103 3.854 5.120 -6.960 1.00 0.00 H new ATOM 0 HA GLU A 103 6.393 5.560 -8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.153 7.827 -6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.771 7.742 -8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.525 6.130 -8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.058 7.424 -7.262 1.00 0.00 H new ATOM 1547 N ILE A 104 5.983 6.218 -4.842 1.00 0.00 N ATOM 1548 CA ILE A 104 6.700 6.379 -3.599 1.00 0.00 C ATOM 1549 C ILE A 104 7.705 5.246 -3.462 1.00 0.00 C ATOM 1550 O ILE A 104 8.848 5.452 -3.053 1.00 0.00 O ATOM 1551 CB ILE A 104 5.773 6.410 -2.369 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.003 7.718 -2.300 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.588 6.246 -1.116 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.523 7.536 -2.140 1.00 0.00 C ATOM 0 H ILE A 104 4.967 6.213 -4.754 1.00 0.00 H new ATOM 0 HA ILE A 104 7.205 7.344 -3.631 1.00 0.00 H new ATOM 0 HB ILE A 104 5.060 5.591 -2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.380 8.308 -1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.194 8.291 -3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.929 6.268 -0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.115 5.292 -1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.311 7.058 -1.044 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.039 8.512 -2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.132 6.973 -2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.321 6.991 -1.218 1.00 0.00 H new ATOM 1566 N MET A 105 7.271 4.061 -3.867 1.00 0.00 N ATOM 1567 CA MET A 105 8.128 2.893 -3.905 1.00 0.00 C ATOM 1568 C MET A 105 9.365 3.147 -4.763 1.00 0.00 C ATOM 1569 O MET A 105 10.497 2.886 -4.346 1.00 0.00 O ATOM 1570 CB MET A 105 7.372 1.695 -4.449 1.00 0.00 C ATOM 1571 CG MET A 105 6.310 1.178 -3.505 1.00 0.00 C ATOM 1572 SD MET A 105 6.058 -0.583 -3.685 1.00 0.00 S ATOM 1573 CE MET A 105 5.217 -0.914 -2.159 1.00 0.00 C ATOM 0 H MET A 105 6.315 3.886 -4.177 1.00 0.00 H new ATOM 0 HA MET A 105 8.447 2.684 -2.884 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.905 1.968 -5.395 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.080 0.894 -4.662 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.598 1.400 -2.478 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.372 1.700 -3.693 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.849 -1.532 -1.522 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.000 0.026 -1.652 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.284 -1.440 -2.364 1.00 0.00 H new ATOM 1583 N GLN A 106 9.131 3.677 -5.957 1.00 0.00 N ATOM 1584 CA GLN A 106 10.190 3.954 -6.912 1.00 0.00 C ATOM 1585 C GLN A 106 11.111 5.066 -6.424 1.00 0.00 C ATOM 1586 O GLN A 106 12.330 4.977 -6.537 1.00 0.00 O ATOM 1587 CB GLN A 106 9.578 4.371 -8.235 1.00 0.00 C ATOM 1588 CG GLN A 106 8.742 3.289 -8.875 1.00 0.00 C ATOM 1589 CD GLN A 106 9.554 2.258 -9.645 1.00 0.00 C ATOM 1590 OE1 GLN A 106 9.046 1.636 -10.576 1.00 0.00 O ATOM 1591 NE2 GLN A 106 10.820 2.090 -9.292 1.00 0.00 N ATOM 0 H GLN A 106 8.199 3.926 -6.288 1.00 0.00 H new ATOM 0 HA GLN A 106 10.780 3.045 -7.029 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.958 5.254 -8.078 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.375 4.658 -8.921 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.168 2.780 -8.100 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.024 3.751 -9.552 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.208 2.624 -8.514 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.407 1.427 -9.798 1.00 0.00 H new ATOM 1600 N ASN A 107 10.504 6.100 -5.867 1.00 0.00 N ATOM 1601 CA ASN A 107 11.184 7.365 -5.629 1.00 0.00 C ATOM 1602 C ASN A 107 11.761 7.494 -4.220 1.00 0.00 C ATOM 1603 O ASN A 107 12.571 8.385 -3.965 1.00 0.00 O ATOM 1604 CB ASN A 107 10.220 8.518 -5.903 1.00 0.00 C ATOM 1605 CG ASN A 107 9.857 8.647 -7.371 1.00 0.00 C ATOM 1606 OD1 ASN A 107 10.562 9.290 -8.144 1.00 0.00 O ATOM 1607 ND2 ASN A 107 8.745 8.045 -7.761 1.00 0.00 N ATOM 0 H ASN A 107 9.529 6.088 -5.567 1.00 0.00 H new ATOM 0 HA ASN A 107 12.033 7.400 -6.312 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.311 8.371 -5.320 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.670 9.450 -5.562 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.447 8.106 -8.734 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.186 7.520 -7.088 1.00 0.00 H new ATOM 1614 N ASN A 108 11.355 6.630 -3.298 1.00 0.00 N ATOM 1615 CA ASN A 108 11.856 6.725 -1.928 1.00 0.00 C ATOM 1616 C ASN A 108 12.876 5.653 -1.635 1.00 0.00 C ATOM 1617 O ASN A 108 13.730 5.831 -0.762 1.00 0.00 O ATOM 1618 CB ASN A 108 10.725 6.675 -0.890 1.00 0.00 C ATOM 1619 CG ASN A 108 9.938 7.967 -0.875 1.00 0.00 C ATOM 1620 OD1 ASN A 108 10.236 8.878 -0.106 1.00 0.00 O ATOM 1621 ND2 ASN A 108 8.953 8.065 -1.744 1.00 0.00 N ATOM 0 H ASN A 108 10.695 5.871 -3.465 1.00 0.00 H new ATOM 0 HA ASN A 108 12.341 7.698 -1.847 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.058 5.843 -1.115 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.144 6.490 0.099 1.00 0.00 H new ATOM 0 HD21 ASN A 108 8.403 8.923 -1.797 1.00 0.00 H new ATOM 0 HD22 ASN A 108 8.740 7.283 -2.364 1.00 0.00 H new ATOM 1628 N SER A 109 12.772 4.536 -2.354 1.00 0.00 N ATOM 1629 CA SER A 109 13.615 3.355 -2.124 1.00 0.00 C ATOM 1630 C SER A 109 13.214 2.681 -0.810 1.00 0.00 C ATOM 1631 O SER A 109 13.336 1.465 -0.663 1.00 0.00 O ATOM 1632 CB SER A 109 15.102 3.723 -2.119 1.00 0.00 C ATOM 1633 OG SER A 109 15.925 2.568 -2.090 1.00 0.00 O ATOM 0 H SER A 109 12.101 4.421 -3.114 1.00 0.00 H new ATOM 0 HA SER A 109 13.458 2.654 -2.944 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.334 4.314 -3.005 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.320 4.348 -1.253 1.00 0.00 H new ATOM 0 HG SER A 109 16.867 2.838 -2.089 1.00 0.00 H new ATOM 1639 N ILE A 110 12.723 3.495 0.121 1.00 0.00 N ATOM 1640 CA ILE A 110 12.088 3.032 1.333 1.00 0.00 C ATOM 1641 C ILE A 110 13.081 2.479 2.342 1.00 0.00 C ATOM 1642 O ILE A 110 13.454 1.304 2.319 1.00 0.00 O ATOM 1643 CB ILE A 110 10.964 2.036 1.039 1.00 0.00 C ATOM 1644 CG1 ILE A 110 9.787 2.760 0.411 1.00 0.00 C ATOM 1645 CG2 ILE A 110 10.523 1.358 2.303 1.00 0.00 C ATOM 1646 CD1 ILE A 110 9.996 3.241 -0.999 1.00 0.00 C ATOM 0 H ILE A 110 12.760 4.511 0.045 1.00 0.00 H new ATOM 0 HA ILE A 110 11.635 3.908 1.797 1.00 0.00 H new ATOM 0 HB ILE A 110 11.338 1.282 0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.925 2.093 0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.536 3.618 1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.723 0.653 2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.365 0.823 2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.160 2.105 3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 110 9.094 3.743 -1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.833 3.938 -1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 110 10.212 2.390 -1.645 1.00 0.00 H new ATOM 1658 N ASN A 111 13.508 3.366 3.226 1.00 0.00 N ATOM 1659 CA ASN A 111 14.358 3.006 4.344 1.00 0.00 C ATOM 1660 C ASN A 111 14.002 3.851 5.550 1.00 0.00 C ATOM 1661 O ASN A 111 14.104 5.080 5.517 1.00 0.00 O ATOM 1662 CB ASN A 111 15.844 3.198 4.018 1.00 0.00 C ATOM 1663 CG ASN A 111 16.378 2.210 2.999 1.00 0.00 C ATOM 1664 OD1 ASN A 111 16.307 2.439 1.791 1.00 0.00 O ATOM 1665 ND2 ASN A 111 16.942 1.115 3.482 1.00 0.00 N ATOM 0 H ASN A 111 13.273 4.358 3.186 1.00 0.00 H new ATOM 0 HA ASN A 111 14.190 1.950 4.557 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.997 4.210 3.644 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.423 3.107 4.937 1.00 0.00 H new ATOM 0 HD21 ASN A 111 17.339 0.423 2.846 1.00 0.00 H new ATOM 0 HD22 ASN A 111 16.980 0.963 4.490 1.00 0.00 H new ATOM 1672 N VAL A 112 13.555 3.193 6.597 1.00 0.00 N ATOM 1673 CA VAL A 112 13.320 3.840 7.873 1.00 0.00 C ATOM 1674 C VAL A 112 14.497 3.518 8.775 1.00 0.00 C ATOM 1675 O VAL A 112 14.328 3.037 9.899 1.00 0.00 O ATOM 1676 CB VAL A 112 12.009 3.333 8.503 1.00 0.00 C ATOM 1677 CG1 VAL A 112 11.536 4.241 9.626 1.00 0.00 C ATOM 1678 CG2 VAL A 112 10.946 3.207 7.436 1.00 0.00 C ATOM 0 H VAL A 112 13.344 2.195 6.590 1.00 0.00 H new ATOM 0 HA VAL A 112 13.225 4.918 7.738 1.00 0.00 H new ATOM 0 HB VAL A 112 12.199 2.353 8.940 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.609 3.849 10.044 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.297 4.282 10.405 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.363 5.243 9.235 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.020 2.848 7.885 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.773 4.181 6.978 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.277 2.501 6.674 1.00 0.00 H new ATOM 1688 N VAL A 113 15.694 3.752 8.222 1.00 0.00 N ATOM 1689 CA VAL A 113 16.963 3.297 8.788 1.00 0.00 C ATOM 1690 C VAL A 113 16.905 1.785 9.076 1.00 0.00 C ATOM 1691 O VAL A 113 15.908 1.130 8.758 1.00 0.00 O ATOM 1692 CB VAL A 113 17.377 4.119 10.048 1.00 0.00 C ATOM 1693 CG1 VAL A 113 16.795 3.560 11.339 1.00 0.00 C ATOM 1694 CG2 VAL A 113 18.891 4.245 10.143 1.00 0.00 C ATOM 0 H VAL A 113 15.806 4.273 7.352 1.00 0.00 H new ATOM 0 HA VAL A 113 17.744 3.472 8.048 1.00 0.00 H new ATOM 0 HB VAL A 113 16.951 5.114 9.922 1.00 0.00 H new ATOM 0 HG11 VAL A 113 17.118 4.174 12.180 1.00 0.00 H new ATOM 0 HG12 VAL A 113 15.707 3.568 11.281 1.00 0.00 H new ATOM 0 HG13 VAL A 113 17.143 2.537 11.482 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.153 4.822 11.030 1.00 0.00 H new ATOM 0 HG22 VAL A 113 19.335 3.252 10.212 1.00 0.00 H new ATOM 0 HG23 VAL A 113 19.270 4.751 9.255 1.00 0.00 H new ATOM 1704 N GLU A 114 17.977 1.225 9.627 1.00 0.00 N ATOM 1705 CA GLU A 114 18.014 -0.187 9.978 1.00 0.00 C ATOM 1706 C GLU A 114 17.713 -1.059 8.772 1.00 0.00 C ATOM 1707 O GLU A 114 16.720 -1.791 8.736 1.00 0.00 O ATOM 1708 CB GLU A 114 17.013 -0.445 11.086 1.00 0.00 C ATOM 1709 CG GLU A 114 17.378 0.196 12.400 1.00 0.00 C ATOM 1710 CD GLU A 114 16.161 0.588 13.203 1.00 0.00 C ATOM 1711 OE1 GLU A 114 15.107 -0.065 13.057 1.00 0.00 O ATOM 1712 OE2 GLU A 114 16.238 1.572 13.963 1.00 0.00 O ATOM 0 H GLU A 114 18.836 1.733 9.840 1.00 0.00 H new ATOM 0 HA GLU A 114 19.016 -0.443 10.323 1.00 0.00 H new ATOM 0 HB2 GLU A 114 16.036 -0.077 10.773 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.917 -1.521 11.232 1.00 0.00 H new ATOM 0 HG2 GLU A 114 17.988 -0.495 12.982 1.00 0.00 H new ATOM 0 HG3 GLU A 114 17.988 1.080 12.214 1.00 0.00 H new ATOM 1719 N GLU A 115 18.580 -0.964 7.794 1.00 0.00 N ATOM 1720 CA GLU A 115 18.439 -1.713 6.571 1.00 0.00 C ATOM 1721 C GLU A 115 18.910 -3.142 6.783 1.00 0.00 C ATOM 1722 O GLU A 115 20.015 -3.363 7.279 1.00 0.00 O ATOM 1723 CB GLU A 115 19.254 -1.054 5.463 1.00 0.00 C ATOM 1724 CG GLU A 115 18.882 -1.550 4.086 1.00 0.00 C ATOM 1725 CD GLU A 115 19.762 -0.978 2.996 1.00 0.00 C ATOM 1726 OE1 GLU A 115 20.807 -1.588 2.695 1.00 0.00 O ATOM 1727 OE2 GLU A 115 19.417 0.081 2.437 1.00 0.00 O ATOM 0 H GLU A 115 19.404 -0.364 7.824 1.00 0.00 H new ATOM 0 HA GLU A 115 17.389 -1.726 6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 115 19.110 0.026 5.506 1.00 0.00 H new ATOM 0 HB3 GLU A 115 20.313 -1.242 5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 115 18.949 -2.638 4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 115 17.843 -1.291 3.881 1.00 0.00 H new ATOM 1734 N PRO A 116 18.070 -4.129 6.439 1.00 0.00 N ATOM 1735 CA PRO A 116 18.429 -5.544 6.532 1.00 0.00 C ATOM 1736 C PRO A 116 19.471 -5.958 5.496 1.00 0.00 C ATOM 1737 O PRO A 116 19.190 -6.811 4.656 1.00 0.00 O ATOM 1738 CB PRO A 116 17.121 -6.291 6.266 1.00 0.00 C ATOM 1739 CG PRO A 116 16.051 -5.265 6.306 1.00 0.00 C ATOM 1740 CD PRO A 116 16.693 -3.951 5.970 1.00 0.00 C ATOM 0 HA PRO A 116 18.872 -5.764 7.503 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.147 -6.791 5.298 1.00 0.00 H new ATOM 0 HB3 PRO A 116 16.951 -7.062 7.018 1.00 0.00 H new ATOM 0 HG2 PRO A 116 15.262 -5.502 5.593 1.00 0.00 H new ATOM 0 HG3 PRO A 116 15.589 -5.228 7.292 1.00 0.00 H new ATOM 0 HD2 PRO A 116 16.654 -3.744 4.900 1.00 0.00 H new ATOM 0 HD3 PRO A 116 16.199 -3.120 6.473 1.00 0.00 H new ATOM 1748 N VAL A 117 20.642 -5.302 5.561 1.00 0.00 N ATOM 1749 CA VAL A 117 21.853 -5.635 4.782 1.00 0.00 C ATOM 1750 C VAL A 117 21.607 -6.512 3.559 1.00 0.00 C ATOM 1751 O VAL A 117 21.365 -7.711 3.676 1.00 0.00 O ATOM 1752 CB VAL A 117 22.918 -6.299 5.678 1.00 0.00 C ATOM 1753 CG1 VAL A 117 23.622 -5.256 6.534 1.00 0.00 C ATOM 1754 CG2 VAL A 117 22.275 -7.355 6.558 1.00 0.00 C ATOM 0 H VAL A 117 20.779 -4.500 6.176 1.00 0.00 H new ATOM 0 HA VAL A 117 22.209 -4.676 4.406 1.00 0.00 H new ATOM 0 HB VAL A 117 23.660 -6.777 5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 117 24.370 -5.743 7.160 1.00 0.00 H new ATOM 0 HG12 VAL A 117 24.109 -4.525 5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 117 22.892 -4.752 7.167 1.00 0.00 H new ATOM 0 HG21 VAL A 117 23.036 -7.817 7.187 1.00 0.00 H new ATOM 0 HG22 VAL A 117 21.517 -6.891 7.188 1.00 0.00 H new ATOM 0 HG23 VAL A 117 21.810 -8.116 5.932 1.00 0.00 H new ATOM 1764 N VAL A 118 21.699 -5.905 2.386 1.00 0.00 N ATOM 1765 CA VAL A 118 21.496 -6.624 1.129 1.00 0.00 C ATOM 1766 C VAL A 118 22.375 -7.880 1.073 1.00 0.00 C ATOM 1767 O VAL A 118 23.552 -7.834 1.437 1.00 0.00 O ATOM 1768 CB VAL A 118 21.766 -5.721 -0.094 1.00 0.00 C ATOM 1769 CG1 VAL A 118 23.218 -5.267 -0.148 1.00 0.00 C ATOM 1770 CG2 VAL A 118 21.367 -6.444 -1.368 1.00 0.00 C ATOM 0 H VAL A 118 21.913 -4.914 2.274 1.00 0.00 H new ATOM 0 HA VAL A 118 20.450 -6.928 1.092 1.00 0.00 H new ATOM 0 HB VAL A 118 21.158 -4.822 0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 118 23.369 -4.634 -1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 118 23.457 -4.703 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 118 23.869 -6.138 -0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 118 21.560 -5.801 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 118 21.948 -7.361 -1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 118 20.306 -6.689 -1.330 1.00 0.00 H new ATOM 1780 N GLU A 119 21.763 -9.004 0.675 1.00 0.00 N ATOM 1781 CA GLU A 119 22.418 -10.321 0.635 1.00 0.00 C ATOM 1782 C GLU A 119 22.531 -10.928 2.039 1.00 0.00 C ATOM 1783 O GLU A 119 22.557 -12.154 2.192 1.00 0.00 O ATOM 1784 CB GLU A 119 23.805 -10.250 -0.020 1.00 0.00 C ATOM 1785 CG GLU A 119 24.478 -11.605 -0.170 1.00 0.00 C ATOM 1786 CD GLU A 119 25.942 -11.496 -0.523 1.00 0.00 C ATOM 1787 OE1 GLU A 119 26.257 -11.182 -1.688 1.00 0.00 O ATOM 1788 OE2 GLU A 119 26.787 -11.713 0.373 1.00 0.00 O ATOM 0 H GLU A 119 20.790 -9.026 0.369 1.00 0.00 H new ATOM 0 HA GLU A 119 21.788 -10.967 0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.710 -9.790 -1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 119 24.446 -9.599 0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 119 24.374 -12.162 0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 119 23.964 -12.177 -0.943 1.00 0.00 H new ATOM 1795 N ARG A 120 22.580 -10.058 3.049 1.00 0.00 N ATOM 1796 CA ARG A 120 22.717 -10.443 4.456 1.00 0.00 C ATOM 1797 C ARG A 120 24.130 -10.912 4.776 1.00 0.00 C ATOM 1798 O ARG A 120 24.796 -10.316 5.626 1.00 0.00 O ATOM 1799 CB ARG A 120 21.700 -11.515 4.864 1.00 0.00 C ATOM 1800 CG ARG A 120 20.605 -10.995 5.780 1.00 0.00 C ATOM 1801 CD ARG A 120 19.703 -9.999 5.071 1.00 0.00 C ATOM 1802 NE ARG A 120 18.920 -10.632 4.014 1.00 0.00 N ATOM 1803 CZ ARG A 120 18.605 -10.044 2.863 1.00 0.00 C ATOM 1804 NH1 ARG A 120 19.008 -8.807 2.607 1.00 0.00 N ATOM 1805 NH2 ARG A 120 17.880 -10.694 1.968 1.00 0.00 N ATOM 0 H ARG A 120 22.525 -9.049 2.911 1.00 0.00 H new ATOM 0 HA ARG A 120 22.511 -9.546 5.039 1.00 0.00 H new ATOM 0 HB2 ARG A 120 21.244 -11.932 3.966 1.00 0.00 H new ATOM 0 HB3 ARG A 120 22.224 -12.330 5.363 1.00 0.00 H new ATOM 0 HG2 ARG A 120 20.008 -11.831 6.144 1.00 0.00 H new ATOM 0 HG3 ARG A 120 21.055 -10.521 6.652 1.00 0.00 H new ATOM 0 HD2 ARG A 120 19.031 -9.538 5.795 1.00 0.00 H new ATOM 0 HD3 ARG A 120 20.309 -9.199 4.645 1.00 0.00 H new ATOM 0 HE ARG A 120 18.594 -11.586 4.168 1.00 0.00 H new ATOM 0 HH11 ARG A 120 19.564 -8.299 3.295 1.00 0.00 H new ATOM 0 HH12 ARG A 120 18.762 -8.363 1.722 1.00 0.00 H new ATOM 0 HH21 ARG A 120 17.563 -11.644 2.161 1.00 0.00 H new ATOM 0 HH22 ARG A 120 17.637 -10.245 1.085 1.00 0.00 H new ATOM 1819 N ASN A 121 24.585 -11.959 4.092 1.00 0.00 N ATOM 1820 CA ASN A 121 25.897 -12.547 4.356 1.00 0.00 C ATOM 1821 C ASN A 121 25.951 -13.072 5.789 1.00 0.00 C ATOM 1822 O ASN A 121 26.686 -12.560 6.638 1.00 0.00 O ATOM 1823 CB ASN A 121 27.016 -11.523 4.106 1.00 0.00 C ATOM 1824 CG ASN A 121 28.405 -12.081 4.366 1.00 0.00 C ATOM 1825 OD1 ASN A 121 29.285 -11.369 4.857 1.00 0.00 O ATOM 1826 ND2 ASN A 121 28.621 -13.342 4.019 1.00 0.00 N ATOM 0 H ASN A 121 24.062 -12.420 3.347 1.00 0.00 H new ATOM 0 HA ASN A 121 26.052 -13.381 3.671 1.00 0.00 H new ATOM 0 HB2 ASN A 121 26.958 -11.175 3.075 1.00 0.00 H new ATOM 0 HB3 ASN A 121 26.855 -10.655 4.745 1.00 0.00 H new ATOM 0 HD21 ASN A 121 29.542 -13.758 4.155 1.00 0.00 H new ATOM 0 HD22 ASN A 121 27.866 -13.897 3.616 1.00 0.00 H new ATOM 1833 N ASN A 122 25.140 -14.081 6.057 1.00 0.00 N ATOM 1834 CA ASN A 122 25.072 -14.683 7.379 1.00 0.00 C ATOM 1835 C ASN A 122 25.826 -16.000 7.392 1.00 0.00 C ATOM 1836 O ASN A 122 25.393 -16.939 6.695 1.00 0.00 O ATOM 1837 CB ASN A 122 23.617 -14.906 7.805 1.00 0.00 C ATOM 1838 CG ASN A 122 22.890 -13.615 8.137 1.00 0.00 C ATOM 1839 OD1 ASN A 122 23.197 -12.550 7.603 1.00 0.00 O ATOM 1840 ND2 ASN A 122 21.915 -13.699 9.023 1.00 0.00 N ATOM 1841 OXT ASN A 122 26.850 -16.099 8.102 1.00 0.00 O ATOM 0 H ASN A 122 24.515 -14.504 5.371 1.00 0.00 H new ATOM 0 HA ASN A 122 25.535 -13.999 8.090 1.00 0.00 H new ATOM 0 HB2 ASN A 122 23.085 -15.420 7.005 1.00 0.00 H new ATOM 0 HB3 ASN A 122 23.596 -15.562 8.675 1.00 0.00 H new ATOM 0 HD21 ASN A 122 21.390 -12.864 9.284 1.00 0.00 H new ATOM 0 HD22 ASN A 122 21.687 -14.598 9.446 1.00 0.00 H new TER 1848 ASN A 122 ATOM 1849 N GLY B 493 2.267 -15.632 -8.752 1.00 0.00 N ATOM 1850 CA GLY B 493 1.170 -15.686 -7.762 1.00 0.00 C ATOM 1851 C GLY B 493 -0.078 -15.021 -8.287 1.00 0.00 C ATOM 1852 O GLY B 493 -0.066 -14.456 -9.379 1.00 0.00 O ATOM 0 HA2 GLY B 493 0.953 -16.725 -7.513 1.00 0.00 H new ATOM 0 HA3 GLY B 493 1.485 -15.196 -6.841 1.00 0.00 H new ATOM 1858 N PRO B 494 -1.176 -15.088 -7.532 1.00 0.00 N ATOM 1859 CA PRO B 494 -2.425 -14.412 -7.882 1.00 0.00 C ATOM 1860 C PRO B 494 -2.293 -12.901 -7.739 1.00 0.00 C ATOM 1861 O PRO B 494 -2.457 -12.360 -6.645 1.00 0.00 O ATOM 1862 CB PRO B 494 -3.421 -14.964 -6.857 1.00 0.00 C ATOM 1863 CG PRO B 494 -2.582 -15.363 -5.692 1.00 0.00 C ATOM 1864 CD PRO B 494 -1.281 -15.839 -6.272 1.00 0.00 C ATOM 0 HA PRO B 494 -2.725 -14.587 -8.915 1.00 0.00 H new ATOM 0 HB2 PRO B 494 -4.158 -14.211 -6.575 1.00 0.00 H new ATOM 0 HB3 PRO B 494 -3.972 -15.815 -7.258 1.00 0.00 H new ATOM 0 HG2 PRO B 494 -2.425 -14.522 -5.016 1.00 0.00 H new ATOM 0 HG3 PRO B 494 -3.064 -16.151 -5.114 1.00 0.00 H new ATOM 0 HD2 PRO B 494 -0.443 -15.628 -5.607 1.00 0.00 H new ATOM 0 HD3 PRO B 494 -1.288 -16.915 -6.445 1.00 0.00 H new ATOM 1872 N ASP B 495 -1.974 -12.215 -8.831 1.00 0.00 N ATOM 1873 CA ASP B 495 -1.754 -10.780 -8.745 1.00 0.00 C ATOM 1874 C ASP B 495 -3.070 -10.048 -8.601 1.00 0.00 C ATOM 1875 O ASP B 495 -3.285 -9.348 -7.625 1.00 0.00 O ATOM 1876 CB ASP B 495 -1.025 -10.250 -9.986 1.00 0.00 C ATOM 1877 CG ASP B 495 0.369 -10.811 -10.147 1.00 0.00 C ATOM 1878 OD1 ASP B 495 0.506 -11.920 -10.702 1.00 0.00 O ATOM 1879 OD2 ASP B 495 1.337 -10.145 -9.728 1.00 0.00 O ATOM 0 H ASP B 495 -1.865 -12.618 -9.762 1.00 0.00 H new ATOM 0 HA ASP B 495 -1.134 -10.601 -7.867 1.00 0.00 H new ATOM 0 HB2 ASP B 495 -1.611 -10.491 -10.873 1.00 0.00 H new ATOM 0 HB3 ASP B 495 -0.967 -9.163 -9.928 1.00 0.00 H new ATOM 1884 N ALA B 496 -3.997 -10.252 -9.503 1.00 0.00 N ATOM 1885 CA ALA B 496 -5.271 -9.613 -9.318 1.00 0.00 C ATOM 1886 C ALA B 496 -5.942 -10.203 -8.112 1.00 0.00 C ATOM 1887 O ALA B 496 -6.167 -11.409 -8.022 1.00 0.00 O ATOM 1888 CB ALA B 496 -6.155 -9.666 -10.542 1.00 0.00 C ATOM 0 H ALA B 496 -3.901 -10.830 -10.338 1.00 0.00 H new ATOM 0 HA ALA B 496 -5.094 -8.550 -9.153 1.00 0.00 H new ATOM 0 HB1 ALA B 496 -7.100 -9.165 -10.331 1.00 0.00 H new ATOM 0 HB2 ALA B 496 -5.657 -9.166 -11.373 1.00 0.00 H new ATOM 0 HB3 ALA B 496 -6.347 -10.706 -10.807 1.00 0.00 H new ATOM 1894 N VAL B 497 -6.153 -9.347 -7.147 1.00 0.00 N ATOM 1895 CA VAL B 497 -6.889 -9.715 -5.956 1.00 0.00 C ATOM 1896 C VAL B 497 -8.345 -9.550 -6.248 1.00 0.00 C ATOM 1897 O VAL B 497 -8.813 -8.464 -6.552 1.00 0.00 O ATOM 1898 CB VAL B 497 -6.475 -8.868 -4.711 1.00 0.00 C ATOM 1899 CG1 VAL B 497 -5.291 -8.011 -5.042 1.00 0.00 C ATOM 1900 CG2 VAL B 497 -7.617 -7.998 -4.182 1.00 0.00 C ATOM 0 H VAL B 497 -5.824 -8.381 -7.159 1.00 0.00 H new ATOM 0 HA VAL B 497 -6.660 -10.750 -5.704 1.00 0.00 H new ATOM 0 HB VAL B 497 -6.215 -9.571 -3.920 1.00 0.00 H new ATOM 0 HG11 VAL B 497 -5.010 -7.424 -4.167 1.00 0.00 H new ATOM 0 HG12 VAL B 497 -4.455 -8.644 -5.338 1.00 0.00 H new ATOM 0 HG13 VAL B 497 -5.546 -7.340 -5.862 1.00 0.00 H new ATOM 0 HG21 VAL B 497 -7.272 -7.432 -3.317 1.00 0.00 H new ATOM 0 HG22 VAL B 497 -7.940 -7.308 -4.962 1.00 0.00 H new ATOM 0 HG23 VAL B 497 -8.453 -8.633 -3.890 1.00 0.00 H new ATOM 1910 N ILE B 498 -9.085 -10.610 -6.228 1.00 0.00 N ATOM 1911 CA ILE B 498 -10.447 -10.444 -6.582 1.00 0.00 C ATOM 1912 C ILE B 498 -11.218 -10.291 -5.310 1.00 0.00 C ATOM 1913 O ILE B 498 -11.671 -11.271 -4.719 1.00 0.00 O ATOM 1914 CB ILE B 498 -11.073 -11.546 -7.460 1.00 0.00 C ATOM 1915 CG1 ILE B 498 -10.228 -11.967 -8.687 1.00 0.00 C ATOM 1916 CG2 ILE B 498 -12.432 -11.052 -7.946 1.00 0.00 C ATOM 1917 CD1 ILE B 498 -8.887 -11.317 -8.848 1.00 0.00 C ATOM 0 H ILE B 498 -8.786 -11.554 -5.983 1.00 0.00 H new ATOM 0 HA ILE B 498 -10.495 -9.564 -7.223 1.00 0.00 H new ATOM 0 HB ILE B 498 -11.144 -12.434 -6.832 1.00 0.00 H new ATOM 0 HG12 ILE B 498 -10.078 -13.046 -8.640 1.00 0.00 H new ATOM 0 HG13 ILE B 498 -10.812 -11.765 -9.585 1.00 0.00 H new ATOM 0 HG21 ILE B 498 -12.895 -11.816 -8.570 1.00 0.00 H new ATOM 0 HG22 ILE B 498 -13.073 -10.847 -7.088 1.00 0.00 H new ATOM 0 HG23 ILE B 498 -12.301 -10.139 -8.527 1.00 0.00 H new ATOM 0 HD11 ILE B 498 -8.402 -11.701 -9.745 1.00 0.00 H new ATOM 0 HD12 ILE B 498 -9.014 -10.238 -8.938 1.00 0.00 H new ATOM 0 HD13 ILE B 498 -8.269 -11.538 -7.978 1.00 0.00 H new ATOM 1929 N ILE B 499 -11.308 -9.063 -4.838 1.00 0.00 N ATOM 1930 CA ILE B 499 -11.963 -8.835 -3.587 1.00 0.00 C ATOM 1931 C ILE B 499 -13.438 -8.585 -3.857 1.00 0.00 C ATOM 1932 O ILE B 499 -13.871 -7.457 -4.102 1.00 0.00 O ATOM 1933 CB ILE B 499 -11.281 -7.695 -2.774 1.00 0.00 C ATOM 1934 CG1 ILE B 499 -10.078 -8.226 -1.982 1.00 0.00 C ATOM 1935 CG2 ILE B 499 -12.258 -7.003 -1.840 1.00 0.00 C ATOM 1936 CD1 ILE B 499 -10.138 -9.702 -1.654 1.00 0.00 C ATOM 0 H ILE B 499 -10.941 -8.230 -5.298 1.00 0.00 H new ATOM 0 HA ILE B 499 -11.874 -9.717 -2.953 1.00 0.00 H new ATOM 0 HB ILE B 499 -10.928 -6.958 -3.495 1.00 0.00 H new ATOM 0 HG12 ILE B 499 -9.170 -8.031 -2.553 1.00 0.00 H new ATOM 0 HG13 ILE B 499 -9.996 -7.664 -1.052 1.00 0.00 H new ATOM 0 HG21 ILE B 499 -11.742 -6.215 -1.292 1.00 0.00 H new ATOM 0 HG22 ILE B 499 -13.071 -6.568 -2.421 1.00 0.00 H new ATOM 0 HG23 ILE B 499 -12.664 -7.729 -1.135 1.00 0.00 H new ATOM 0 HD11 ILE B 499 -9.247 -9.987 -1.094 1.00 0.00 H new ATOM 0 HD12 ILE B 499 -11.025 -9.906 -1.053 1.00 0.00 H new ATOM 0 HD13 ILE B 499 -10.185 -10.278 -2.578 1.00 0.00 H new ATOM 1948 N GLY B 500 -14.175 -9.695 -3.859 1.00 0.00 N ATOM 1949 CA GLY B 500 -15.611 -9.689 -4.070 1.00 0.00 C ATOM 1950 C GLY B 500 -16.056 -8.794 -5.201 1.00 0.00 C ATOM 1951 O GLY B 500 -16.017 -9.186 -6.365 1.00 0.00 O ATOM 0 H GLY B 500 -13.785 -10.626 -3.713 1.00 0.00 H new ATOM 0 HA2 GLY B 500 -15.944 -10.707 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY B 500 -16.103 -9.370 -3.151 1.00 0.00 H new ATOM 1955 N MET B 501 -16.472 -7.587 -4.832 1.00 0.00 N ATOM 1956 CA MET B 501 -16.929 -6.584 -5.757 1.00 0.00 C ATOM 1957 C MET B 501 -15.980 -6.404 -6.935 1.00 0.00 C ATOM 1958 O MET B 501 -16.425 -6.280 -8.074 1.00 0.00 O ATOM 1959 CB MET B 501 -17.071 -5.261 -5.017 1.00 0.00 C ATOM 1960 CG MET B 501 -17.894 -4.259 -5.770 1.00 0.00 C ATOM 1961 SD MET B 501 -17.569 -2.557 -5.275 1.00 0.00 S ATOM 1962 CE MET B 501 -15.873 -2.362 -5.830 1.00 0.00 C ATOM 0 H MET B 501 -16.497 -7.283 -3.859 1.00 0.00 H new ATOM 0 HA MET B 501 -17.887 -6.912 -6.159 1.00 0.00 H new ATOM 0 HB2 MET B 501 -17.528 -5.442 -4.044 1.00 0.00 H new ATOM 0 HB3 MET B 501 -16.080 -4.845 -4.832 1.00 0.00 H new ATOM 0 HG2 MET B 501 -17.696 -4.364 -6.837 1.00 0.00 H new ATOM 0 HG3 MET B 501 -18.951 -4.479 -5.618 1.00 0.00 H new ATOM 0 HE1 MET B 501 -15.468 -1.428 -5.441 1.00 0.00 H new ATOM 0 HE2 MET B 501 -15.273 -3.197 -5.467 1.00 0.00 H new ATOM 0 HE3 MET B 501 -15.847 -2.343 -6.920 1.00 0.00 H new ATOM 1972 N THR B 502 -14.678 -6.391 -6.671 1.00 0.00 N ATOM 1973 CA THR B 502 -13.732 -6.044 -7.716 1.00 0.00 C ATOM 1974 C THR B 502 -12.437 -6.846 -7.686 1.00 0.00 C ATOM 1975 O THR B 502 -11.872 -7.128 -6.631 1.00 0.00 O ATOM 1976 CB THR B 502 -13.438 -4.533 -7.656 1.00 0.00 C ATOM 1977 OG1 THR B 502 -14.432 -3.796 -8.373 1.00 0.00 O ATOM 1978 CG2 THR B 502 -12.083 -4.196 -8.209 1.00 0.00 C ATOM 0 H THR B 502 -14.264 -6.611 -5.765 1.00 0.00 H new ATOM 0 HA THR B 502 -14.205 -6.306 -8.662 1.00 0.00 H new ATOM 0 HB THR B 502 -13.457 -4.253 -6.603 1.00 0.00 H new ATOM 0 HG1 THR B 502 -13.996 -3.130 -8.945 1.00 0.00 H new ATOM 0 HG21 THR B 502 -11.921 -3.120 -8.145 1.00 0.00 H new ATOM 0 HG22 THR B 502 -11.316 -4.713 -7.632 1.00 0.00 H new ATOM 0 HG23 THR B 502 -12.027 -4.510 -9.251 1.00 0.00 H new ATOM 1986 N LYS B 503 -12.001 -7.231 -8.879 1.00 0.00 N ATOM 1987 CA LYS B 503 -10.713 -7.837 -9.084 1.00 0.00 C ATOM 1988 C LYS B 503 -9.629 -6.787 -9.272 1.00 0.00 C ATOM 1989 O LYS B 503 -9.670 -6.008 -10.214 1.00 0.00 O ATOM 1990 CB LYS B 503 -10.785 -8.777 -10.281 1.00 0.00 C ATOM 1991 CG LYS B 503 -9.512 -8.851 -11.103 1.00 0.00 C ATOM 1992 CD LYS B 503 -9.402 -10.153 -11.880 1.00 0.00 C ATOM 1993 CE LYS B 503 -10.750 -10.659 -12.380 1.00 0.00 C ATOM 1994 NZ LYS B 503 -11.320 -9.805 -13.453 1.00 0.00 N ATOM 0 H LYS B 503 -12.546 -7.125 -9.734 1.00 0.00 H new ATOM 0 HA LYS B 503 -10.446 -8.410 -8.196 1.00 0.00 H new ATOM 0 HB2 LYS B 503 -11.032 -9.778 -9.926 1.00 0.00 H new ATOM 0 HB3 LYS B 503 -11.602 -8.458 -10.928 1.00 0.00 H new ATOM 0 HG2 LYS B 503 -9.482 -8.012 -11.798 1.00 0.00 H new ATOM 0 HG3 LYS B 503 -8.650 -8.750 -10.444 1.00 0.00 H new ATOM 0 HD2 LYS B 503 -8.736 -10.008 -12.730 1.00 0.00 H new ATOM 0 HD3 LYS B 503 -8.947 -10.913 -11.244 1.00 0.00 H new ATOM 0 HE2 LYS B 503 -10.636 -11.677 -12.753 1.00 0.00 H new ATOM 0 HE3 LYS B 503 -11.450 -10.702 -11.545 1.00 0.00 H new ATOM 0 HZ1 LYS B 503 -12.236 -10.194 -13.756 1.00 0.00 H new ATOM 0 HZ2 LYS B 503 -11.456 -8.839 -13.092 1.00 0.00 H new ATOM 0 HZ3 LYS B 503 -10.668 -9.783 -14.263 1.00 0.00 H new ATOM 2008 N ILE B 504 -8.654 -6.797 -8.373 1.00 0.00 N ATOM 2009 CA ILE B 504 -7.607 -5.809 -8.344 1.00 0.00 C ATOM 2010 C ILE B 504 -6.344 -6.306 -8.983 1.00 0.00 C ATOM 2011 O ILE B 504 -5.594 -7.060 -8.382 1.00 0.00 O ATOM 2012 CB ILE B 504 -7.246 -5.413 -6.922 1.00 0.00 C ATOM 2013 CG1 ILE B 504 -8.482 -4.968 -6.187 1.00 0.00 C ATOM 2014 CG2 ILE B 504 -6.243 -4.292 -6.952 1.00 0.00 C ATOM 2015 CD1 ILE B 504 -8.171 -4.189 -4.943 1.00 0.00 C ATOM 0 H ILE B 504 -8.575 -7.502 -7.640 1.00 0.00 H new ATOM 0 HA ILE B 504 -8.004 -4.957 -8.895 1.00 0.00 H new ATOM 0 HB ILE B 504 -6.815 -6.272 -6.408 1.00 0.00 H new ATOM 0 HG12 ILE B 504 -9.093 -4.356 -6.850 1.00 0.00 H new ATOM 0 HG13 ILE B 504 -9.077 -5.843 -5.923 1.00 0.00 H new ATOM 0 HG21 ILE B 504 -5.984 -4.008 -5.932 1.00 0.00 H new ATOM 0 HG22 ILE B 504 -5.346 -4.621 -7.476 1.00 0.00 H new ATOM 0 HG23 ILE B 504 -6.672 -3.434 -7.470 1.00 0.00 H new ATOM 0 HD11 ILE B 504 -9.101 -3.895 -4.456 1.00 0.00 H new ATOM 0 HD12 ILE B 504 -7.585 -4.808 -4.263 1.00 0.00 H new ATOM 0 HD13 ILE B 504 -7.601 -3.297 -5.205 1.00 0.00 H new ATOM 2027 N PRO B 505 -6.059 -5.827 -10.167 1.00 0.00 N ATOM 2028 CA PRO B 505 -4.856 -6.180 -10.873 1.00 0.00 C ATOM 2029 C PRO B 505 -3.678 -5.420 -10.277 1.00 0.00 C ATOM 2030 O PRO B 505 -3.477 -4.227 -10.529 1.00 0.00 O ATOM 2031 CB PRO B 505 -5.186 -5.764 -12.297 1.00 0.00 C ATOM 2032 CG PRO B 505 -6.090 -4.594 -12.142 1.00 0.00 C ATOM 2033 CD PRO B 505 -6.864 -4.843 -10.888 1.00 0.00 C ATOM 0 HA PRO B 505 -4.567 -7.230 -10.816 1.00 0.00 H new ATOM 0 HB2 PRO B 505 -4.286 -5.500 -12.852 1.00 0.00 H new ATOM 0 HB3 PRO B 505 -5.672 -6.572 -12.844 1.00 0.00 H new ATOM 0 HG2 PRO B 505 -5.521 -3.667 -12.073 1.00 0.00 H new ATOM 0 HG3 PRO B 505 -6.755 -4.497 -13.000 1.00 0.00 H new ATOM 0 HD2 PRO B 505 -6.990 -3.929 -10.308 1.00 0.00 H new ATOM 0 HD3 PRO B 505 -7.862 -5.224 -11.104 1.00 0.00 H new ATOM 2041 N VAL B 506 -2.972 -6.100 -9.391 1.00 0.00 N ATOM 2042 CA VAL B 506 -1.877 -5.500 -8.654 1.00 0.00 C ATOM 2043 C VAL B 506 -0.525 -5.719 -9.343 1.00 0.00 C ATOM 2044 O VAL B 506 -0.420 -6.436 -10.339 1.00 0.00 O ATOM 2045 CB VAL B 506 -1.805 -6.093 -7.238 1.00 0.00 C ATOM 2046 CG1 VAL B 506 -3.140 -6.002 -6.516 1.00 0.00 C ATOM 2047 CG2 VAL B 506 -1.374 -7.520 -7.310 1.00 0.00 C ATOM 0 H VAL B 506 -3.142 -7.080 -9.164 1.00 0.00 H new ATOM 0 HA VAL B 506 -2.074 -4.429 -8.613 1.00 0.00 H new ATOM 0 HB VAL B 506 -1.078 -5.510 -6.673 1.00 0.00 H new ATOM 0 HG11 VAL B 506 -3.045 -6.432 -5.519 1.00 0.00 H new ATOM 0 HG12 VAL B 506 -3.438 -4.957 -6.433 1.00 0.00 H new ATOM 0 HG13 VAL B 506 -3.896 -6.551 -7.078 1.00 0.00 H new ATOM 0 HG21 VAL B 506 -1.324 -7.936 -6.304 1.00 0.00 H new ATOM 0 HG22 VAL B 506 -2.092 -8.087 -7.902 1.00 0.00 H new ATOM 0 HG23 VAL B 506 -0.391 -7.580 -7.776 1.00 0.00 H new ATOM 2057 N ILE B 507 0.498 -5.088 -8.778 1.00 0.00 N ATOM 2058 CA ILE B 507 1.877 -5.185 -9.250 1.00 0.00 C ATOM 2059 C ILE B 507 2.782 -5.507 -8.063 1.00 0.00 C ATOM 2060 O ILE B 507 2.357 -5.363 -6.927 1.00 0.00 O ATOM 2061 CB ILE B 507 2.321 -3.860 -9.895 1.00 0.00 C ATOM 2062 CG1 ILE B 507 2.552 -2.821 -8.831 1.00 0.00 C ATOM 2063 CG2 ILE B 507 1.236 -3.350 -10.815 1.00 0.00 C ATOM 2064 CD1 ILE B 507 3.161 -1.538 -9.337 1.00 0.00 C ATOM 0 H ILE B 507 0.392 -4.483 -7.964 1.00 0.00 H new ATOM 0 HA ILE B 507 1.946 -5.973 -10.000 1.00 0.00 H new ATOM 0 HB ILE B 507 3.240 -4.040 -10.452 1.00 0.00 H new ATOM 0 HG12 ILE B 507 1.601 -2.593 -8.350 1.00 0.00 H new ATOM 0 HG13 ILE B 507 3.204 -3.241 -8.065 1.00 0.00 H new ATOM 0 HG21 ILE B 507 1.555 -2.412 -11.269 1.00 0.00 H new ATOM 0 HG22 ILE B 507 1.046 -4.086 -11.597 1.00 0.00 H new ATOM 0 HG23 ILE B 507 0.323 -3.184 -10.244 1.00 0.00 H new ATOM 0 HD11 ILE B 507 3.293 -0.845 -8.506 1.00 0.00 H new ATOM 0 HD12 ILE B 507 4.129 -1.749 -9.791 1.00 0.00 H new ATOM 0 HD13 ILE B 507 2.501 -1.091 -10.081 1.00 0.00 H new ATOM 2076 N GLU B 508 4.009 -5.949 -8.310 1.00 0.00 N ATOM 2077 CA GLU B 508 4.922 -6.286 -7.216 1.00 0.00 C ATOM 2078 C GLU B 508 5.853 -5.117 -6.891 1.00 0.00 C ATOM 2079 O GLU B 508 6.181 -4.306 -7.761 1.00 0.00 O ATOM 2080 CB GLU B 508 5.725 -7.545 -7.540 1.00 0.00 C ATOM 2081 CG GLU B 508 4.902 -8.819 -7.489 1.00 0.00 C ATOM 2082 CD GLU B 508 5.752 -10.065 -7.656 1.00 0.00 C ATOM 2083 OE1 GLU B 508 6.383 -10.506 -6.672 1.00 0.00 O ATOM 2084 OE2 GLU B 508 5.805 -10.610 -8.777 1.00 0.00 O ATOM 0 H GLU B 508 4.395 -6.083 -9.245 1.00 0.00 H new ATOM 0 HA GLU B 508 4.317 -6.488 -6.332 1.00 0.00 H new ATOM 0 HB2 GLU B 508 6.160 -7.443 -8.534 1.00 0.00 H new ATOM 0 HB3 GLU B 508 6.553 -7.629 -6.837 1.00 0.00 H new ATOM 0 HG2 GLU B 508 4.373 -8.868 -6.537 1.00 0.00 H new ATOM 0 HG3 GLU B 508 4.145 -8.791 -8.273 1.00 0.00 H new ATOM 2091 N ASN B 509 6.262 -5.036 -5.625 1.00 0.00 N ATOM 2092 CA ASN B 509 7.018 -3.887 -5.117 1.00 0.00 C ATOM 2093 C ASN B 509 8.509 -4.010 -5.408 1.00 0.00 C ATOM 2094 O ASN B 509 9.104 -5.072 -5.228 1.00 0.00 O ATOM 2095 CB ASN B 509 6.805 -3.716 -3.607 1.00 0.00 C ATOM 2096 CG ASN B 509 7.435 -4.810 -2.770 1.00 0.00 C ATOM 2097 OD1 ASN B 509 7.491 -5.970 -3.168 1.00 0.00 O ATOM 2098 ND2 ASN B 509 7.919 -4.440 -1.596 1.00 0.00 N ATOM 0 H ASN B 509 6.082 -5.757 -4.927 1.00 0.00 H new ATOM 0 HA ASN B 509 6.640 -3.008 -5.639 1.00 0.00 H new ATOM 0 HB2 ASN B 509 7.216 -2.754 -3.299 1.00 0.00 H new ATOM 0 HB3 ASN B 509 5.735 -3.686 -3.402 1.00 0.00 H new ATOM 0 HD21 ASN B 509 8.358 -5.129 -0.985 1.00 0.00 H new ATOM 0 HD22 ASN B 509 7.853 -3.466 -1.301 1.00 0.00 H new ATOM 2105 N PRO B 510 9.139 -2.912 -5.854 1.00 0.00 N ATOM 2106 CA PRO B 510 10.572 -2.884 -6.134 1.00 0.00 C ATOM 2107 C PRO B 510 11.427 -2.886 -4.867 1.00 0.00 C ATOM 2108 O PRO B 510 12.644 -2.997 -4.946 1.00 0.00 O ATOM 2109 CB PRO B 510 10.782 -1.569 -6.904 1.00 0.00 C ATOM 2110 CG PRO B 510 9.416 -1.049 -7.204 1.00 0.00 C ATOM 2111 CD PRO B 510 8.512 -1.617 -6.153 1.00 0.00 C ATOM 0 HA PRO B 510 10.876 -3.772 -6.688 1.00 0.00 H new ATOM 0 HB2 PRO B 510 11.350 -0.854 -6.309 1.00 0.00 H new ATOM 0 HB3 PRO B 510 11.346 -1.739 -7.821 1.00 0.00 H new ATOM 0 HG2 PRO B 510 9.401 0.041 -7.183 1.00 0.00 H new ATOM 0 HG3 PRO B 510 9.094 -1.353 -8.200 1.00 0.00 H new ATOM 0 HD2 PRO B 510 8.463 -0.977 -5.272 1.00 0.00 H new ATOM 0 HD3 PRO B 510 7.492 -1.736 -6.517 1.00 0.00 H new ATOM 2119 N GLN B 511 10.801 -2.774 -3.698 1.00 0.00 N ATOM 2120 CA GLN B 511 11.550 -2.762 -2.444 1.00 0.00 C ATOM 2121 C GLN B 511 12.291 -4.085 -2.266 1.00 0.00 C ATOM 2122 O GLN B 511 13.414 -4.130 -1.763 1.00 0.00 O ATOM 2123 CB GLN B 511 10.618 -2.509 -1.256 1.00 0.00 C ATOM 2124 CG GLN B 511 10.105 -1.074 -1.124 1.00 0.00 C ATOM 2125 CD GLN B 511 10.203 -0.265 -2.402 1.00 0.00 C ATOM 2126 OE1 GLN B 511 9.302 -0.289 -3.229 1.00 0.00 O ATOM 2127 NE2 GLN B 511 11.297 0.464 -2.564 1.00 0.00 N ATOM 0 H GLN B 511 9.790 -2.691 -3.593 1.00 0.00 H new ATOM 0 HA GLN B 511 12.277 -1.951 -2.483 1.00 0.00 H new ATOM 0 HB2 GLN B 511 9.761 -3.178 -1.338 1.00 0.00 H new ATOM 0 HB3 GLN B 511 11.144 -2.776 -0.339 1.00 0.00 H new ATOM 0 HG2 GLN B 511 9.064 -1.099 -0.801 1.00 0.00 H new ATOM 0 HG3 GLN B 511 10.670 -0.568 -0.341 1.00 0.00 H new ATOM 0 HE21 GLN B 511 12.025 0.456 -1.850 1.00 0.00 H new ATOM 0 HE22 GLN B 511 11.411 1.033 -3.403 1.00 0.00 H new HETATM 2136 N PTR B 512 11.648 -5.153 -2.709 1.00 0.00 N HETATM 2137 CA PTR B 512 12.212 -6.494 -2.634 1.00 0.00 C HETATM 2138 C PTR B 512 12.994 -6.876 -3.887 1.00 0.00 C HETATM 2139 O PTR B 512 13.475 -8.002 -4.000 1.00 0.00 O HETATM 2140 CB PTR B 512 11.097 -7.506 -2.414 1.00 0.00 C HETATM 2141 CG PTR B 512 10.706 -7.655 -0.969 1.00 0.00 C HETATM 2142 CD1 PTR B 512 10.056 -6.637 -0.287 1.00 0.00 C HETATM 2143 CD2 PTR B 512 10.999 -8.822 -0.284 1.00 0.00 C HETATM 2144 CE1 PTR B 512 9.709 -6.780 1.032 1.00 0.00 C HETATM 2145 CE2 PTR B 512 10.656 -8.973 1.036 1.00 0.00 C HETATM 2146 CZ PTR B 512 10.011 -7.955 1.693 1.00 0.00 C HETATM 2147 OH PTR B 512 9.662 -8.112 3.009 1.00 0.00 O HETATM 2148 P PTR B 512 8.472 -9.151 3.365 1.00 0.00 P HETATM 2149 O1P PTR B 512 9.137 -10.228 4.183 1.00 0.00 O HETATM 2150 O2P PTR B 512 7.863 -9.577 1.956 1.00 0.00 O HETATM 2151 O3P PTR B 512 7.525 -8.375 4.256 1.00 0.00 O HETATM 0 HE2 PTR B 512 10.895 -9.898 1.561 1.00 0.00 H new HETATM 0 HE1 PTR B 512 9.198 -5.972 1.556 1.00 0.00 H new HETATM 0 HD2 PTR B 512 11.510 -9.634 -0.802 1.00 0.00 H new HETATM 0 HD1 PTR B 512 9.817 -5.709 -0.807 1.00 0.00 H new HETATM 0 HB3 PTR B 512 10.223 -7.204 -2.991 1.00 0.00 H new HETATM 0 HB2 PTR B 512 11.414 -8.475 -2.799 1.00 0.00 H new HETATM 0 HA PTR B 512 12.910 -6.500 -1.797 1.00 0.00 H new ATOM 2161 N PHE B 513 13.115 -5.962 -4.834 1.00 0.00 N ATOM 2162 CA PHE B 513 13.839 -6.260 -6.064 1.00 0.00 C ATOM 2163 C PHE B 513 14.925 -5.231 -6.325 1.00 0.00 C ATOM 2164 O PHE B 513 15.670 -5.333 -7.300 1.00 0.00 O ATOM 2165 CB PHE B 513 12.889 -6.322 -7.253 1.00 0.00 C ATOM 2166 CG PHE B 513 11.880 -7.413 -7.160 1.00 0.00 C ATOM 2167 CD1 PHE B 513 12.246 -8.697 -7.480 1.00 0.00 C ATOM 2168 CD2 PHE B 513 10.576 -7.163 -6.771 1.00 0.00 C ATOM 2169 CE1 PHE B 513 11.342 -9.721 -7.417 1.00 0.00 C ATOM 2170 CE2 PHE B 513 9.657 -8.190 -6.702 1.00 0.00 C ATOM 2171 CZ PHE B 513 10.041 -9.476 -7.027 1.00 0.00 C ATOM 0 H PHE B 513 12.729 -5.020 -4.780 1.00 0.00 H new ATOM 0 HA PHE B 513 14.309 -7.235 -5.938 1.00 0.00 H new ATOM 0 HB2 PHE B 513 12.371 -5.367 -7.342 1.00 0.00 H new ATOM 0 HB3 PHE B 513 13.471 -6.455 -8.165 1.00 0.00 H new ATOM 0 HD1 PHE B 513 13.262 -8.901 -7.786 1.00 0.00 H new ATOM 0 HD2 PHE B 513 10.275 -6.157 -6.520 1.00 0.00 H new ATOM 0 HE1 PHE B 513 11.647 -10.725 -7.673 1.00 0.00 H new ATOM 0 HE2 PHE B 513 8.641 -7.989 -6.395 1.00 0.00 H new ATOM 0 HZ PHE B 513 9.328 -10.285 -6.976 1.00 0.00 H new ATOM 2181 N GLY B 514 15.030 -4.259 -5.434 1.00 0.00 N ATOM 2182 CA GLY B 514 15.923 -3.146 -5.658 1.00 0.00 C ATOM 2183 C GLY B 514 15.327 -2.166 -6.644 1.00 0.00 C ATOM 2184 O GLY B 514 14.310 -2.460 -7.276 1.00 0.00 O ATOM 0 H GLY B 514 14.510 -4.222 -4.557 1.00 0.00 H new ATOM 0 HA2 GLY B 514 16.125 -2.641 -4.714 1.00 0.00 H new ATOM 0 HA3 GLY B 514 16.878 -3.511 -6.034 1.00 0.00 H new ATOM 2188 N ILE B 515 15.933 -1.005 -6.783 1.00 0.00 N ATOM 2189 CA ILE B 515 15.424 -0.014 -7.711 1.00 0.00 C ATOM 2190 C ILE B 515 16.169 -0.124 -9.035 1.00 0.00 C ATOM 2191 O ILE B 515 15.621 -0.733 -9.980 1.00 0.00 O ATOM 2192 CB ILE B 515 15.548 1.422 -7.155 1.00 0.00 C ATOM 2193 CG1 ILE B 515 15.055 1.489 -5.702 1.00 0.00 C ATOM 2194 CG2 ILE B 515 14.753 2.390 -8.023 1.00 0.00 C ATOM 2195 CD1 ILE B 515 13.593 1.123 -5.529 1.00 0.00 C ATOM 2196 OXT ILE B 515 17.319 0.361 -9.118 1.00 0.00 O ATOM 0 H ILE B 515 16.770 -0.725 -6.272 1.00 0.00 H new ATOM 0 HA ILE B 515 14.363 -0.214 -7.862 1.00 0.00 H new ATOM 0 HB ILE B 515 16.600 1.708 -7.174 1.00 0.00 H new ATOM 0 HG12 ILE B 515 15.661 0.819 -5.092 1.00 0.00 H new ATOM 0 HG13 ILE B 515 15.214 2.498 -5.321 1.00 0.00 H new ATOM 0 HG21 ILE B 515 14.847 3.399 -7.622 1.00 0.00 H new ATOM 0 HG22 ILE B 515 15.139 2.367 -9.042 1.00 0.00 H new ATOM 0 HG23 ILE B 515 13.703 2.097 -8.026 1.00 0.00 H new ATOM 0 HD11 ILE B 515 13.322 1.195 -4.476 1.00 0.00 H new ATOM 0 HD12 ILE B 515 12.975 1.808 -6.110 1.00 0.00 H new ATOM 0 HD13 ILE B 515 13.430 0.103 -5.877 1.00 0.00 H new TER 2208 ILE B 515