USER MOD reduce.3.24.130724 H: found=0, std=0, add=1267, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1268 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 66 MET CE :methyl 137:sc= -3.78 (180deg=-9.1!) USER MOD Set 1.2: B 67 THR OG1 : rot 180:sc= -0.289 USER MOD Set 2.1: B 62 THR OG1 : rot -69:sc= 1.17 USER MOD Set 2.2: B 76 GLN : amide:sc= -2.86 K(o=-1.7,f=-9.3!) USER MOD Set 3.1: B 51 ASN : amide:sc= -0.0951 K(o=-1.9,f=-4.5) USER MOD Set 3.2: B 54 GLN : amide:sc= -1.8 X(o=-1.9,f=-1.5) USER MOD Set 4.1: A 66 MET CE :methyl -126:sc= -4.82 (180deg=-9.42!) USER MOD Set 4.2: A 67 THR OG1 : rot 180:sc= -0.335 USER MOD Set 5.1: A 62 THR OG1 : rot -57:sc= -0.675 USER MOD Set 5.2: A 76 GLN : amide:sc= -2.33 X(o=-3,f=-3.1!) USER MOD Set 6.1: A 60 LYS NZ :NH3+ -125:sc= -0.366 (180deg=-2.38!) USER MOD Set 6.2: A 61 TYR OH : rot 180:sc= 0.747 USER MOD Set 7.1: A 51 ASN : amide:sc= -0.0102 K(o=-1.8,f=-1.1) USER MOD Set 7.2: A 54 GLN : amide:sc= -1.83 K(o=-1.8,f=-1.1) USER MOD Set 8.1: A 19 SER OG : rot -150:sc= 0 USER MOD Set 8.2: A 21 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Set 9.1: A 8 LYS NZ :NH3+ 180:sc=-0.00757 (180deg=0) USER MOD Set 9.2: B 50 MET CE :methyl 157:sc= -2.29! (180deg=-2.35) USER MOD Single : A 4 THR OG1 : rot 7:sc= 0.728 USER MOD Single : A 6 SER OG : rot 104:sc= 0.00192 USER MOD Single : A 12 MET CE :methyl -151:sc= -2.24 (180deg=-3.44!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -130:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0511 K(o=-0.051,f=-1.7) USER MOD Single : A 27 THR OG1 : rot -66:sc= -0.0134 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 120:sc= 1.24 USER MOD Single : A 42 SER OG : rot 44:sc= 0.526 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 66:sc= 1.06 USER MOD Single : A 49 MET CE :methyl -148:sc= -3.26! (180deg=-7.07!) USER MOD Single : A 50 MET CE :methyl -166:sc= -0.586 (180deg=-1.43) USER MOD Single : A 55 THR OG1 : rot -92:sc= -0.277 USER MOD Single : A 57 GLN : amide:sc= -1.49 K(o=-1.5,f=-6.6!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0267 X(o=-0.027,f=-0.027) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 74 SER OG : rot -140:sc= -0.671 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 4 THR OG1 : rot 14:sc= 0.76 USER MOD Single : B 6 SER OG : rot 112:sc= 1.17 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 MET CE :methyl -156:sc= -0.913 (180deg=-2.01) USER MOD Single : B 14 LYS NZ :NH3+ 163:sc=-0.00243 (180deg=-0.231) USER MOD Single : B 15 SER OG : rot -150:sc= 0 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 21 GLN : amide:sc=-0.00124 X(o=-0.0012,f=-0.026) USER MOD Single : B 22 GLN : amide:sc= -1.76! C(o=-1.8!,f=-3.6!) USER MOD Single : B 27 THR OG1 : rot -65:sc= 0.00787 USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 36 TYR OH : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc=-0.00104 USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 43 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 THR OG1 : rot 60:sc= 0.89 USER MOD Single : B 49 MET CE :methyl -147:sc= -3.05 (180deg=-5.26!) USER MOD Single : B 55 THR OG1 : rot -91:sc= 0.575 USER MOD Single : B 57 GLN : amide:sc= -2.67 X(o=-2.7,f=-2.7) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 TYR OH : rot 180:sc= -0.497 USER MOD Single : B 68 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.32) USER MOD Single : B 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 74 SER OG : rot 180:sc=-0.00278 USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 5.079 5.771 -7.134 1.00 55.11 N ATOM 44 CA THR A 4 6.085 6.680 -7.668 1.00 61.02 C ATOM 45 C THR A 4 5.598 8.124 -7.626 1.00 34.12 C ATOM 46 O THR A 4 4.407 8.383 -7.445 1.00 24.32 O ATOM 47 CB THR A 4 6.459 6.318 -9.117 1.00 65.03 C ATOM 48 OG1 THR A 4 5.872 5.062 -9.475 1.00 41.45 O ATOM 49 CG2 THR A 4 7.968 6.244 -9.285 1.00 24.23 C ATOM 0 HA THR A 4 6.968 6.578 -7.038 1.00 61.02 H new ATOM 0 HB THR A 4 6.075 7.099 -9.773 1.00 65.03 H new ATOM 0 HG1 THR A 4 5.273 4.765 -8.759 1.00 41.45 H new ATOM 0 HG21 THR A 4 8.207 5.987 -10.317 1.00 24.23 H new ATOM 0 HG22 THR A 4 8.409 7.210 -9.040 1.00 24.23 H new ATOM 0 HG23 THR A 4 8.371 5.482 -8.618 1.00 24.23 H new ATOM 57 N ILE A 5 6.524 9.062 -7.795 1.00 21.33 N ATOM 58 CA ILE A 5 6.187 10.480 -7.778 1.00 1.35 C ATOM 59 C ILE A 5 5.043 10.784 -8.740 1.00 62.20 C ATOM 60 O ILE A 5 4.106 11.504 -8.396 1.00 53.40 O ATOM 61 CB ILE A 5 7.401 11.351 -8.151 1.00 73.54 C ATOM 62 CG1 ILE A 5 8.572 11.063 -7.209 1.00 25.20 C ATOM 63 CG2 ILE A 5 7.029 12.825 -8.105 1.00 34.15 C ATOM 64 CD1 ILE A 5 9.896 10.900 -7.922 1.00 64.05 C ATOM 0 H ILE A 5 7.514 8.865 -7.945 1.00 21.33 H new ATOM 0 HA ILE A 5 5.877 10.719 -6.761 1.00 1.35 H new ATOM 0 HB ILE A 5 7.707 11.104 -9.168 1.00 73.54 H new ATOM 0 HG12 ILE A 5 8.655 11.875 -6.487 1.00 25.20 H new ATOM 0 HG13 ILE A 5 8.359 10.155 -6.644 1.00 25.20 H new ATOM 0 HG21 ILE A 5 7.897 13.428 -8.371 1.00 34.15 H new ATOM 0 HG22 ILE A 5 6.222 13.019 -8.812 1.00 34.15 H new ATOM 0 HG23 ILE A 5 6.700 13.086 -7.099 1.00 34.15 H new ATOM 0 HD11 ILE A 5 10.680 10.698 -7.192 1.00 64.05 H new ATOM 0 HD12 ILE A 5 9.831 10.069 -8.624 1.00 64.05 H new ATOM 0 HD13 ILE A 5 10.132 11.815 -8.464 1.00 64.05 H new ATOM 76 N SER A 6 5.126 10.230 -9.944 1.00 63.44 N ATOM 77 CA SER A 6 4.098 10.443 -10.957 1.00 34.41 C ATOM 78 C SER A 6 2.722 10.056 -10.424 1.00 2.22 C ATOM 79 O SER A 6 1.708 10.629 -10.819 1.00 53.23 O ATOM 80 CB SER A 6 4.417 9.634 -12.215 1.00 71.40 C ATOM 81 OG SER A 6 3.712 8.404 -12.223 1.00 42.32 O ATOM 0 H SER A 6 5.895 9.630 -10.243 1.00 63.44 H new ATOM 0 HA SER A 6 4.085 11.503 -11.210 1.00 34.41 H new ATOM 0 HB2 SER A 6 4.154 10.213 -13.100 1.00 71.40 H new ATOM 0 HB3 SER A 6 5.489 9.443 -12.266 1.00 71.40 H new ATOM 0 HG SER A 6 2.960 8.462 -12.849 1.00 42.32 H new ATOM 87 N GLU A 7 2.697 9.078 -9.523 1.00 61.11 N ATOM 88 CA GLU A 7 1.446 8.613 -8.937 1.00 23.42 C ATOM 89 C GLU A 7 0.908 9.626 -7.929 1.00 40.04 C ATOM 90 O GLU A 7 -0.293 9.676 -7.662 1.00 33.31 O ATOM 91 CB GLU A 7 1.648 7.258 -8.256 1.00 72.32 C ATOM 92 CG GLU A 7 2.316 6.224 -9.145 1.00 53.22 C ATOM 93 CD GLU A 7 2.072 4.803 -8.674 1.00 62.25 C ATOM 94 OE1 GLU A 7 1.236 4.615 -7.766 1.00 43.33 O ATOM 95 OE2 GLU A 7 2.717 3.880 -9.215 1.00 50.32 O ATOM 0 H GLU A 7 3.528 8.593 -9.184 1.00 61.11 H new ATOM 0 HA GLU A 7 0.717 8.503 -9.740 1.00 23.42 H new ATOM 0 HB2 GLU A 7 2.251 7.398 -7.359 1.00 72.32 H new ATOM 0 HB3 GLU A 7 0.680 6.876 -7.932 1.00 72.32 H new ATOM 0 HG2 GLU A 7 1.946 6.333 -10.164 1.00 53.22 H new ATOM 0 HG3 GLU A 7 3.389 6.414 -9.174 1.00 53.22 H new ATOM 102 N LYS A 8 1.806 10.431 -7.372 1.00 33.13 N ATOM 103 CA LYS A 8 1.424 11.444 -6.394 1.00 4.14 C ATOM 104 C LYS A 8 0.952 12.717 -7.087 1.00 74.14 C ATOM 105 O LYS A 8 0.647 13.714 -6.432 1.00 64.53 O ATOM 106 CB LYS A 8 2.603 11.760 -5.470 1.00 75.53 C ATOM 107 CG LYS A 8 3.432 10.541 -5.105 1.00 22.34 C ATOM 108 CD LYS A 8 4.384 10.838 -3.958 1.00 11.10 C ATOM 109 CE LYS A 8 4.053 10.005 -2.730 1.00 11.21 C ATOM 110 NZ LYS A 8 5.281 9.556 -2.017 1.00 5.33 N ATOM 0 H LYS A 8 2.804 10.402 -7.581 1.00 33.13 H new ATOM 0 HA LYS A 8 0.601 11.048 -5.800 1.00 4.14 H new ATOM 0 HB2 LYS A 8 3.246 12.495 -5.954 1.00 75.53 H new ATOM 0 HB3 LYS A 8 2.225 12.219 -4.556 1.00 75.53 H new ATOM 0 HG2 LYS A 8 2.771 9.720 -4.827 1.00 22.34 H new ATOM 0 HG3 LYS A 8 4.000 10.212 -5.975 1.00 22.34 H new ATOM 0 HD2 LYS A 8 5.408 10.635 -4.272 1.00 11.10 H new ATOM 0 HD3 LYS A 8 4.332 11.897 -3.705 1.00 11.10 H new ATOM 0 HE2 LYS A 8 3.432 10.590 -2.051 1.00 11.21 H new ATOM 0 HE3 LYS A 8 3.468 9.135 -3.028 1.00 11.21 H new ATOM 0 HZ1 LYS A 8 5.013 8.991 -1.186 1.00 5.33 H new ATOM 0 HZ2 LYS A 8 5.862 8.977 -2.657 1.00 5.33 H new ATOM 0 HZ3 LYS A 8 5.827 10.386 -1.710 1.00 5.33 H new ATOM 124 N ILE A 9 0.890 12.677 -8.414 1.00 15.20 N ATOM 125 CA ILE A 9 0.452 13.828 -9.193 1.00 41.10 C ATOM 126 C ILE A 9 -0.720 13.463 -10.099 1.00 71.21 C ATOM 127 O ILE A 9 -1.276 14.319 -10.787 1.00 5.21 O ATOM 128 CB ILE A 9 1.596 14.392 -10.056 1.00 42.44 C ATOM 129 CG1 ILE A 9 2.878 14.507 -9.230 1.00 3.22 C ATOM 130 CG2 ILE A 9 1.207 15.745 -10.631 1.00 73.14 C ATOM 131 CD1 ILE A 9 4.059 15.033 -10.015 1.00 55.24 C ATOM 0 H ILE A 9 1.138 11.860 -8.972 1.00 15.20 H new ATOM 0 HA ILE A 9 0.136 14.590 -8.481 1.00 41.10 H new ATOM 0 HB ILE A 9 1.780 13.706 -10.883 1.00 42.44 H new ATOM 0 HG12 ILE A 9 2.695 15.165 -8.380 1.00 3.22 H new ATOM 0 HG13 ILE A 9 3.129 13.526 -8.826 1.00 3.22 H new ATOM 0 HG21 ILE A 9 2.025 16.131 -11.239 1.00 73.14 H new ATOM 0 HG22 ILE A 9 0.316 15.635 -11.250 1.00 73.14 H new ATOM 0 HG23 ILE A 9 1.000 16.440 -9.817 1.00 73.14 H new ATOM 0 HD11 ILE A 9 4.932 15.088 -9.365 1.00 55.24 H new ATOM 0 HD12 ILE A 9 4.269 14.363 -10.849 1.00 55.24 H new ATOM 0 HD13 ILE A 9 3.828 16.027 -10.397 1.00 55.24 H new ATOM 143 N VAL A 10 -1.093 12.187 -10.091 1.00 4.30 N ATOM 144 CA VAL A 10 -2.201 11.710 -10.909 1.00 43.34 C ATOM 145 C VAL A 10 -3.446 11.472 -10.061 1.00 34.04 C ATOM 146 O VAL A 10 -4.572 11.674 -10.521 1.00 71.51 O ATOM 147 CB VAL A 10 -1.837 10.406 -11.643 1.00 22.34 C ATOM 148 CG1 VAL A 10 -0.634 10.623 -12.549 1.00 23.30 C ATOM 149 CG2 VAL A 10 -1.569 9.290 -10.645 1.00 51.14 C ATOM 0 H VAL A 10 -0.644 11.465 -9.527 1.00 4.30 H new ATOM 0 HA VAL A 10 -2.408 12.486 -11.645 1.00 43.34 H new ATOM 0 HB VAL A 10 -2.682 10.110 -12.265 1.00 22.34 H new ATOM 0 HG11 VAL A 10 -0.391 9.691 -13.060 1.00 23.30 H new ATOM 0 HG12 VAL A 10 -0.868 11.391 -13.286 1.00 23.30 H new ATOM 0 HG13 VAL A 10 0.219 10.942 -11.951 1.00 23.30 H new ATOM 0 HG21 VAL A 10 -1.313 8.376 -11.181 1.00 51.14 H new ATOM 0 HG22 VAL A 10 -0.741 9.574 -9.996 1.00 51.14 H new ATOM 0 HG23 VAL A 10 -2.461 9.119 -10.042 1.00 51.14 H new ATOM 159 N LEU A 11 -3.239 11.041 -8.823 1.00 33.50 N ATOM 160 CA LEU A 11 -4.345 10.775 -7.909 1.00 22.11 C ATOM 161 C LEU A 11 -4.955 12.077 -7.398 1.00 23.40 C ATOM 162 O LEU A 11 -6.141 12.133 -7.077 1.00 73.14 O ATOM 163 CB LEU A 11 -3.866 9.927 -6.730 1.00 73.11 C ATOM 164 CG LEU A 11 -2.680 10.483 -5.940 1.00 24.02 C ATOM 165 CD1 LEU A 11 -3.156 11.474 -4.890 1.00 11.31 C ATOM 166 CD2 LEU A 11 -1.892 9.353 -5.293 1.00 62.13 C ATOM 0 H LEU A 11 -2.315 10.868 -8.428 1.00 33.50 H new ATOM 0 HA LEU A 11 -5.111 10.226 -8.456 1.00 22.11 H new ATOM 0 HB2 LEU A 11 -4.702 9.790 -6.044 1.00 73.11 H new ATOM 0 HB3 LEU A 11 -3.596 8.940 -7.105 1.00 73.11 H new ATOM 0 HG LEU A 11 -2.021 11.007 -6.632 1.00 24.02 H new ATOM 0 HD11 LEU A 11 -2.299 11.859 -4.338 1.00 11.31 H new ATOM 0 HD12 LEU A 11 -3.674 12.300 -5.377 1.00 11.31 H new ATOM 0 HD13 LEU A 11 -3.837 10.975 -4.201 1.00 11.31 H new ATOM 0 HD21 LEU A 11 -1.052 9.768 -4.735 1.00 62.13 H new ATOM 0 HD22 LEU A 11 -2.541 8.799 -4.614 1.00 62.13 H new ATOM 0 HD23 LEU A 11 -1.518 8.681 -6.066 1.00 62.13 H new ATOM 178 N MET A 12 -4.135 13.122 -7.331 1.00 51.31 N ATOM 179 CA MET A 12 -4.596 14.424 -6.863 1.00 35.35 C ATOM 180 C MET A 12 -5.073 15.282 -8.030 1.00 14.33 C ATOM 181 O MET A 12 -6.017 16.062 -7.893 1.00 15.55 O ATOM 182 CB MET A 12 -3.476 15.143 -6.109 1.00 43.44 C ATOM 183 CG MET A 12 -2.123 15.048 -6.794 1.00 42.04 C ATOM 184 SD MET A 12 -1.117 16.526 -6.555 1.00 23.34 S ATOM 185 CE MET A 12 -1.053 17.166 -8.226 1.00 1.34 C ATOM 0 H MET A 12 -3.150 13.092 -7.594 1.00 51.31 H new ATOM 0 HA MET A 12 -5.435 14.264 -6.186 1.00 35.35 H new ATOM 0 HB2 MET A 12 -3.743 16.194 -5.994 1.00 43.44 H new ATOM 0 HB3 MET A 12 -3.397 14.723 -5.106 1.00 43.44 H new ATOM 0 HG2 MET A 12 -1.585 14.181 -6.409 1.00 42.04 H new ATOM 0 HG3 MET A 12 -2.271 14.883 -7.861 1.00 42.04 H new ATOM 0 HE1 MET A 12 -0.124 17.718 -8.369 1.00 1.34 H new ATOM 0 HE2 MET A 12 -1.097 16.339 -8.934 1.00 1.34 H new ATOM 0 HE3 MET A 12 -1.900 17.832 -8.393 1.00 1.34 H new ATOM 195 N ARG A 13 -4.415 15.135 -9.174 1.00 72.22 N ATOM 196 CA ARG A 13 -4.773 15.899 -10.364 1.00 43.34 C ATOM 197 C ARG A 13 -6.162 15.511 -10.862 1.00 25.20 C ATOM 198 O ARG A 13 -6.932 16.361 -11.313 1.00 32.00 O ATOM 199 CB ARG A 13 -3.740 15.673 -11.471 1.00 43.40 C ATOM 200 CG ARG A 13 -4.064 16.403 -12.764 1.00 23.54 C ATOM 201 CD ARG A 13 -4.784 15.495 -13.750 1.00 1.24 C ATOM 202 NE ARG A 13 -3.892 14.487 -14.317 1.00 13.15 N ATOM 203 CZ ARG A 13 -4.174 13.788 -15.410 1.00 62.43 C ATOM 204 NH1 ARG A 13 -5.317 13.988 -16.052 1.00 34.04 N ATOM 205 NH2 ARG A 13 -3.312 12.888 -15.865 1.00 3.12 N ATOM 0 H ARG A 13 -3.632 14.495 -9.303 1.00 72.22 H new ATOM 0 HA ARG A 13 -4.784 16.956 -10.097 1.00 43.34 H new ATOM 0 HB2 ARG A 13 -2.762 15.998 -11.116 1.00 43.40 H new ATOM 0 HB3 ARG A 13 -3.666 14.605 -11.675 1.00 43.40 H new ATOM 0 HG2 ARG A 13 -4.685 17.272 -12.547 1.00 23.54 H new ATOM 0 HG3 ARG A 13 -3.143 16.774 -13.214 1.00 23.54 H new ATOM 0 HD2 ARG A 13 -5.616 15.002 -13.248 1.00 1.24 H new ATOM 0 HD3 ARG A 13 -5.209 16.097 -14.554 1.00 1.24 H new ATOM 0 HE ARG A 13 -3.004 14.310 -13.848 1.00 13.15 H new ATOM 0 HH11 ARG A 13 -5.982 14.680 -15.706 1.00 34.04 H new ATOM 0 HH12 ARG A 13 -5.531 13.450 -16.891 1.00 34.04 H new ATOM 0 HH21 ARG A 13 -2.431 12.732 -15.375 1.00 3.12 H new ATOM 0 HH22 ARG A 13 -3.530 12.352 -16.705 1.00 3.12 H new ATOM 219 N LYS A 14 -6.476 14.223 -10.779 1.00 43.14 N ATOM 220 CA LYS A 14 -7.772 13.722 -11.220 1.00 24.33 C ATOM 221 C LYS A 14 -8.865 14.081 -10.218 1.00 14.43 C ATOM 222 O LYS A 14 -10.039 14.177 -10.575 1.00 20.12 O ATOM 223 CB LYS A 14 -7.717 12.203 -11.409 1.00 73.54 C ATOM 224 CG LYS A 14 -7.543 11.777 -12.855 1.00 21.53 C ATOM 225 CD LYS A 14 -6.272 10.967 -13.049 1.00 2.42 C ATOM 226 CE LYS A 14 -6.284 9.701 -12.206 1.00 1.21 C ATOM 227 NZ LYS A 14 -5.969 8.491 -13.017 1.00 3.32 N ATOM 0 H LYS A 14 -5.850 13.507 -10.410 1.00 43.14 H new ATOM 0 HA LYS A 14 -8.010 14.193 -12.174 1.00 24.33 H new ATOM 0 HB2 LYS A 14 -6.893 11.801 -10.819 1.00 73.54 H new ATOM 0 HB3 LYS A 14 -8.634 11.763 -11.017 1.00 73.54 H new ATOM 0 HG2 LYS A 14 -8.404 11.185 -13.167 1.00 21.53 H new ATOM 0 HG3 LYS A 14 -7.514 12.659 -13.494 1.00 21.53 H new ATOM 0 HD2 LYS A 14 -6.164 10.704 -14.101 1.00 2.42 H new ATOM 0 HD3 LYS A 14 -5.408 11.575 -12.782 1.00 2.42 H new ATOM 0 HE2 LYS A 14 -5.558 9.796 -11.398 1.00 1.21 H new ATOM 0 HE3 LYS A 14 -7.263 9.583 -11.742 1.00 1.21 H new ATOM 0 HZ1 LYS A 14 -5.987 7.649 -12.406 1.00 3.32 H new ATOM 0 HZ2 LYS A 14 -6.676 8.386 -13.773 1.00 3.32 H new ATOM 0 HZ3 LYS A 14 -5.024 8.592 -13.439 1.00 3.32 H new ATOM 241 N SER A 15 -8.470 14.280 -8.965 1.00 0.52 N ATOM 242 CA SER A 15 -9.415 14.626 -7.911 1.00 34.52 C ATOM 243 C SER A 15 -9.971 16.032 -8.120 1.00 4.13 C ATOM 244 O SER A 15 -11.046 16.366 -7.623 1.00 42.32 O ATOM 245 CB SER A 15 -8.743 14.530 -6.541 1.00 23.33 C ATOM 246 OG SER A 15 -9.648 14.868 -5.503 1.00 1.04 O ATOM 0 H SER A 15 -7.501 14.207 -8.655 1.00 0.52 H new ATOM 0 HA SER A 15 -10.242 13.917 -7.952 1.00 34.52 H new ATOM 0 HB2 SER A 15 -8.369 13.518 -6.386 1.00 23.33 H new ATOM 0 HB3 SER A 15 -7.881 15.197 -6.508 1.00 23.33 H new ATOM 0 HG SER A 15 -9.233 15.528 -4.909 1.00 1.04 H new ATOM 252 N GLU A 16 -9.229 16.850 -8.860 1.00 24.43 N ATOM 253 CA GLU A 16 -9.646 18.220 -9.135 1.00 22.34 C ATOM 254 C GLU A 16 -10.698 18.257 -10.240 1.00 32.11 C ATOM 255 O GLU A 16 -11.245 19.315 -10.556 1.00 43.32 O ATOM 256 CB GLU A 16 -8.441 19.074 -9.533 1.00 13.35 C ATOM 257 CG GLU A 16 -8.777 20.539 -9.751 1.00 62.31 C ATOM 258 CD GLU A 16 -9.563 21.135 -8.598 1.00 2.34 C ATOM 259 OE1 GLU A 16 -9.331 20.719 -7.443 1.00 14.23 O ATOM 260 OE2 GLU A 16 -10.409 22.018 -8.850 1.00 72.53 O ATOM 0 H GLU A 16 -8.337 16.588 -9.279 1.00 24.43 H new ATOM 0 HA GLU A 16 -10.086 18.628 -8.225 1.00 22.34 H new ATOM 0 HB2 GLU A 16 -7.680 18.996 -8.757 1.00 13.35 H new ATOM 0 HB3 GLU A 16 -8.006 18.670 -10.447 1.00 13.35 H new ATOM 0 HG2 GLU A 16 -7.854 21.103 -9.887 1.00 62.31 H new ATOM 0 HG3 GLU A 16 -9.353 20.643 -10.671 1.00 62.31 H new ATOM 267 N TYR A 17 -10.974 17.097 -10.825 1.00 34.24 N ATOM 268 CA TYR A 17 -11.957 16.997 -11.897 1.00 3.21 C ATOM 269 C TYR A 17 -11.513 17.793 -13.120 1.00 63.52 C ATOM 270 O TYR A 17 -12.330 18.409 -13.805 1.00 30.34 O ATOM 271 CB TYR A 17 -13.320 17.498 -11.416 1.00 21.42 C ATOM 272 CG TYR A 17 -13.707 16.980 -10.048 1.00 23.24 C ATOM 273 CD1 TYR A 17 -13.951 15.628 -9.839 1.00 54.02 C ATOM 274 CD2 TYR A 17 -13.830 17.844 -8.967 1.00 22.22 C ATOM 275 CE1 TYR A 17 -14.306 15.152 -8.592 1.00 50.43 C ATOM 276 CE2 TYR A 17 -14.182 17.376 -7.715 1.00 21.13 C ATOM 277 CZ TYR A 17 -14.419 16.029 -7.534 1.00 22.22 C ATOM 278 OH TYR A 17 -14.772 15.560 -6.289 1.00 41.24 O ATOM 0 H TYR A 17 -10.531 16.213 -10.575 1.00 34.24 H new ATOM 0 HA TYR A 17 -12.042 15.948 -12.180 1.00 3.21 H new ATOM 0 HB2 TYR A 17 -13.310 18.588 -11.393 1.00 21.42 H new ATOM 0 HB3 TYR A 17 -14.082 17.201 -12.137 1.00 21.42 H new ATOM 0 HD1 TYR A 17 -13.862 14.938 -10.665 1.00 54.02 H new ATOM 0 HD2 TYR A 17 -13.647 18.899 -9.107 1.00 22.22 H new ATOM 0 HE1 TYR A 17 -14.494 14.099 -8.446 1.00 50.43 H new ATOM 0 HE2 TYR A 17 -14.271 18.060 -6.884 1.00 21.13 H new ATOM 0 HH TYR A 17 -14.806 16.307 -5.656 1.00 41.24 H new ATOM 288 N LEU A 18 -10.212 17.776 -13.388 1.00 50.01 N ATOM 289 CA LEU A 18 -9.656 18.496 -14.529 1.00 55.21 C ATOM 290 C LEU A 18 -8.937 17.541 -15.476 1.00 11.42 C ATOM 291 O LEU A 18 -8.795 16.353 -15.188 1.00 23.51 O ATOM 292 CB LEU A 18 -8.692 19.582 -14.051 1.00 71.45 C ATOM 293 CG LEU A 18 -7.416 19.093 -13.364 1.00 20.12 C ATOM 294 CD1 LEU A 18 -6.346 18.768 -14.394 1.00 2.31 C ATOM 295 CD2 LEU A 18 -6.910 20.132 -12.376 1.00 52.43 C ATOM 0 H LEU A 18 -9.522 17.272 -12.831 1.00 50.01 H new ATOM 0 HA LEU A 18 -10.479 18.963 -15.070 1.00 55.21 H new ATOM 0 HB2 LEU A 18 -8.408 20.191 -14.909 1.00 71.45 H new ATOM 0 HB3 LEU A 18 -9.225 20.235 -13.360 1.00 71.45 H new ATOM 0 HG LEU A 18 -7.650 18.182 -12.813 1.00 20.12 H new ATOM 0 HD11 LEU A 18 -5.446 18.422 -13.886 1.00 2.31 H new ATOM 0 HD12 LEU A 18 -6.709 17.987 -15.062 1.00 2.31 H new ATOM 0 HD13 LEU A 18 -6.115 19.662 -14.973 1.00 2.31 H new ATOM 0 HD21 LEU A 18 -6.002 19.767 -11.897 1.00 52.43 H new ATOM 0 HD22 LEU A 18 -6.693 21.061 -12.904 1.00 52.43 H new ATOM 0 HD23 LEU A 18 -7.672 20.315 -11.618 1.00 52.43 H new ATOM 307 N SER A 19 -8.482 18.070 -16.608 1.00 75.14 N ATOM 308 CA SER A 19 -7.777 17.266 -17.599 1.00 42.32 C ATOM 309 C SER A 19 -6.338 17.744 -17.765 1.00 72.22 C ATOM 310 O SER A 19 -5.983 18.839 -17.328 1.00 2.13 O ATOM 311 CB SER A 19 -8.504 17.323 -18.944 1.00 3.34 C ATOM 312 OG SER A 19 -9.357 18.452 -19.015 1.00 61.02 O ATOM 0 H SER A 19 -8.589 19.052 -16.861 1.00 75.14 H new ATOM 0 HA SER A 19 -7.759 16.235 -17.247 1.00 42.32 H new ATOM 0 HB2 SER A 19 -7.775 17.362 -19.754 1.00 3.34 H new ATOM 0 HB3 SER A 19 -9.087 16.413 -19.084 1.00 3.34 H new ATOM 0 HG SER A 19 -10.121 18.249 -19.595 1.00 61.02 H new ATOM 318 N ARG A 20 -5.515 16.916 -18.400 1.00 71.01 N ATOM 319 CA ARG A 20 -4.114 17.254 -18.623 1.00 24.20 C ATOM 320 C ARG A 20 -3.983 18.628 -19.273 1.00 73.30 C ATOM 321 O ARG A 20 -3.030 19.361 -19.009 1.00 23.14 O ATOM 322 CB ARG A 20 -3.447 16.196 -19.504 1.00 14.35 C ATOM 323 CG ARG A 20 -2.725 15.115 -18.716 1.00 64.12 C ATOM 324 CD ARG A 20 -1.825 14.279 -19.613 1.00 52.12 C ATOM 325 NE ARG A 20 -2.258 12.886 -19.678 1.00 31.03 N ATOM 326 CZ ARG A 20 -1.915 12.055 -20.655 1.00 33.21 C ATOM 327 NH1 ARG A 20 -1.137 12.472 -21.643 1.00 13.10 N ATOM 328 NH2 ARG A 20 -2.349 10.800 -20.643 1.00 51.12 N ATOM 0 H ARG A 20 -5.794 16.007 -18.769 1.00 71.01 H new ATOM 0 HA ARG A 20 -3.614 17.280 -17.655 1.00 24.20 H new ATOM 0 HB2 ARG A 20 -4.204 15.730 -20.134 1.00 14.35 H new ATOM 0 HB3 ARG A 20 -2.736 16.685 -20.169 1.00 14.35 H new ATOM 0 HG2 ARG A 20 -2.129 15.575 -17.928 1.00 64.12 H new ATOM 0 HG3 ARG A 20 -3.455 14.469 -18.228 1.00 64.12 H new ATOM 0 HD2 ARG A 20 -1.819 14.704 -20.617 1.00 52.12 H new ATOM 0 HD3 ARG A 20 -0.801 14.323 -19.242 1.00 52.12 H new ATOM 0 HE ARG A 20 -2.857 12.532 -18.932 1.00 31.03 H new ATOM 0 HH11 ARG A 20 -0.799 13.434 -21.655 1.00 13.10 H new ATOM 0 HH12 ARG A 20 -0.876 11.831 -22.392 1.00 13.10 H new ATOM 0 HH21 ARG A 20 -2.946 10.474 -19.883 1.00 51.12 H new ATOM 0 HH22 ARG A 20 -2.085 10.162 -21.394 1.00 51.12 H new ATOM 342 N GLN A 21 -4.946 18.970 -20.121 1.00 33.24 N ATOM 343 CA GLN A 21 -4.937 20.257 -20.810 1.00 62.13 C ATOM 344 C GLN A 21 -5.276 21.391 -19.847 1.00 32.54 C ATOM 345 O GLN A 21 -4.768 22.504 -19.983 1.00 15.25 O ATOM 346 CB GLN A 21 -5.931 20.244 -21.971 1.00 31.45 C ATOM 347 CG GLN A 21 -7.374 20.047 -21.537 1.00 12.41 C ATOM 348 CD GLN A 21 -8.282 19.655 -22.686 1.00 73.14 C ATOM 349 OE1 GLN A 21 -8.146 20.163 -23.799 1.00 3.42 O ATOM 350 NE2 GLN A 21 -9.214 18.746 -22.422 1.00 2.12 N ATOM 0 H GLN A 21 -5.743 18.375 -20.349 1.00 33.24 H new ATOM 0 HA GLN A 21 -3.934 20.425 -21.202 1.00 62.13 H new ATOM 0 HB2 GLN A 21 -5.850 21.184 -22.517 1.00 31.45 H new ATOM 0 HB3 GLN A 21 -5.657 19.448 -22.663 1.00 31.45 H new ATOM 0 HG2 GLN A 21 -7.416 19.276 -20.767 1.00 12.41 H new ATOM 0 HG3 GLN A 21 -7.743 20.968 -21.086 1.00 12.41 H new ATOM 0 HE21 GLN A 21 -9.291 18.351 -21.485 1.00 2.12 H new ATOM 0 HE22 GLN A 21 -9.853 18.443 -23.157 1.00 2.12 H new ATOM 359 N GLN A 22 -6.136 21.100 -18.877 1.00 51.23 N ATOM 360 CA GLN A 22 -6.543 22.096 -17.894 1.00 0.45 C ATOM 361 C GLN A 22 -5.360 22.521 -17.028 1.00 51.31 C ATOM 362 O GLN A 22 -4.925 23.672 -17.076 1.00 43.21 O ATOM 363 CB GLN A 22 -7.664 21.544 -17.011 1.00 11.44 C ATOM 364 CG GLN A 22 -8.150 22.528 -15.959 1.00 2.14 C ATOM 365 CD GLN A 22 -9.660 22.536 -15.821 1.00 62.24 C ATOM 366 OE1 GLN A 22 -10.202 22.156 -14.783 1.00 71.22 O ATOM 367 NE2 GLN A 22 -10.349 22.969 -16.870 1.00 62.52 N ATOM 0 H GLN A 22 -6.564 20.183 -18.751 1.00 51.23 H new ATOM 0 HA GLN A 22 -6.910 22.971 -18.431 1.00 0.45 H new ATOM 0 HB2 GLN A 22 -8.504 21.256 -17.643 1.00 11.44 H new ATOM 0 HB3 GLN A 22 -7.313 20.639 -16.515 1.00 11.44 H new ATOM 0 HG2 GLN A 22 -7.702 22.277 -14.997 1.00 2.14 H new ATOM 0 HG3 GLN A 22 -7.807 23.530 -16.218 1.00 2.14 H new ATOM 0 HE21 GLN A 22 -9.859 23.275 -17.711 1.00 62.52 H new ATOM 0 HE22 GLN A 22 -11.368 22.996 -16.835 1.00 62.52 H new ATOM 376 N LEU A 23 -4.847 21.586 -16.238 1.00 1.25 N ATOM 377 CA LEU A 23 -3.714 21.863 -15.361 1.00 22.42 C ATOM 378 C LEU A 23 -2.538 22.425 -16.152 1.00 63.10 C ATOM 379 O LEU A 23 -1.805 23.286 -15.665 1.00 73.44 O ATOM 380 CB LEU A 23 -3.289 20.590 -14.627 1.00 64.12 C ATOM 381 CG LEU A 23 -2.022 20.697 -13.776 1.00 63.23 C ATOM 382 CD1 LEU A 23 -2.365 20.614 -12.297 1.00 72.12 C ATOM 383 CD2 LEU A 23 -1.030 19.608 -14.157 1.00 24.14 C ATOM 0 H LEU A 23 -5.197 20.629 -16.186 1.00 1.25 H new ATOM 0 HA LEU A 23 -4.026 22.609 -14.630 1.00 22.42 H new ATOM 0 HB2 LEU A 23 -4.110 20.275 -13.983 1.00 64.12 H new ATOM 0 HB3 LEU A 23 -3.142 19.801 -15.365 1.00 64.12 H new ATOM 0 HG LEU A 23 -1.559 21.665 -13.967 1.00 63.23 H new ATOM 0 HD11 LEU A 23 -1.452 20.692 -11.707 1.00 72.12 H new ATOM 0 HD12 LEU A 23 -3.038 21.430 -12.033 1.00 72.12 H new ATOM 0 HD13 LEU A 23 -2.851 19.661 -12.089 1.00 72.12 H new ATOM 0 HD21 LEU A 23 -0.135 19.700 -13.542 1.00 24.14 H new ATOM 0 HD22 LEU A 23 -1.483 18.630 -13.995 1.00 24.14 H new ATOM 0 HD23 LEU A 23 -0.760 19.713 -15.208 1.00 24.14 H new ATOM 395 N ALA A 24 -2.364 21.934 -17.375 1.00 40.14 N ATOM 396 CA ALA A 24 -1.279 22.391 -18.235 1.00 33.11 C ATOM 397 C ALA A 24 -1.341 23.900 -18.440 1.00 23.23 C ATOM 398 O ALA A 24 -0.336 24.534 -18.766 1.00 34.43 O ATOM 399 CB ALA A 24 -1.330 21.671 -19.574 1.00 43.12 C ATOM 0 H ALA A 24 -2.961 21.220 -17.792 1.00 40.14 H new ATOM 0 HA ALA A 24 -0.334 22.156 -17.745 1.00 33.11 H new ATOM 0 HB1 ALA A 24 -0.515 22.021 -20.207 1.00 43.12 H new ATOM 0 HB2 ALA A 24 -1.230 20.598 -19.414 1.00 43.12 H new ATOM 0 HB3 ALA A 24 -2.282 21.878 -20.062 1.00 43.12 H new ATOM 405 N ASP A 25 -2.525 24.471 -18.250 1.00 0.02 N ATOM 406 CA ASP A 25 -2.717 25.908 -18.413 1.00 72.22 C ATOM 407 C ASP A 25 -2.713 26.615 -17.062 1.00 62.10 C ATOM 408 O ASP A 25 -2.386 27.799 -16.970 1.00 11.21 O ATOM 409 CB ASP A 25 -4.032 26.187 -19.145 1.00 75.11 C ATOM 410 CG ASP A 25 -3.866 27.192 -20.268 1.00 52.02 C ATOM 411 OD1 ASP A 25 -3.745 28.399 -19.973 1.00 73.30 O ATOM 412 OD2 ASP A 25 -3.856 26.770 -21.444 1.00 32.35 O ATOM 0 H ASP A 25 -3.367 23.961 -17.983 1.00 0.02 H new ATOM 0 HA ASP A 25 -1.889 26.295 -19.007 1.00 72.22 H new ATOM 0 HB2 ASP A 25 -4.424 25.254 -19.551 1.00 75.11 H new ATOM 0 HB3 ASP A 25 -4.769 26.560 -18.433 1.00 75.11 H new ATOM 417 N LEU A 26 -3.076 25.882 -16.016 1.00 11.45 N ATOM 418 CA LEU A 26 -3.115 26.439 -14.668 1.00 42.33 C ATOM 419 C LEU A 26 -1.711 26.538 -14.080 1.00 31.40 C ATOM 420 O LEU A 26 -1.429 27.415 -13.261 1.00 63.25 O ATOM 421 CB LEU A 26 -4.000 25.579 -13.764 1.00 5.25 C ATOM 422 CG LEU A 26 -5.482 25.953 -13.723 1.00 72.31 C ATOM 423 CD1 LEU A 26 -5.688 27.228 -12.919 1.00 51.25 C ATOM 424 CD2 LEU A 26 -6.031 26.116 -15.133 1.00 64.15 C ATOM 0 H LEU A 26 -3.348 24.901 -16.075 1.00 11.45 H new ATOM 0 HA LEU A 26 -3.536 27.443 -14.728 1.00 42.33 H new ATOM 0 HB2 LEU A 26 -3.917 24.542 -14.088 1.00 5.25 H new ATOM 0 HB3 LEU A 26 -3.605 25.629 -12.749 1.00 5.25 H new ATOM 0 HG LEU A 26 -6.027 25.146 -13.234 1.00 72.31 H new ATOM 0 HD11 LEU A 26 -6.749 27.479 -12.900 1.00 51.25 H new ATOM 0 HD12 LEU A 26 -5.333 27.077 -11.900 1.00 51.25 H new ATOM 0 HD13 LEU A 26 -5.130 28.043 -13.380 1.00 51.25 H new ATOM 0 HD21 LEU A 26 -7.087 26.382 -15.084 1.00 64.15 H new ATOM 0 HD22 LEU A 26 -5.482 26.904 -15.648 1.00 64.15 H new ATOM 0 HD23 LEU A 26 -5.918 25.179 -15.678 1.00 64.15 H new ATOM 436 N THR A 27 -0.833 25.635 -14.501 1.00 4.14 N ATOM 437 CA THR A 27 0.542 25.620 -14.018 1.00 54.35 C ATOM 438 C THR A 27 1.517 26.026 -15.118 1.00 0.33 C ATOM 439 O THR A 27 2.731 26.000 -14.925 1.00 41.53 O ATOM 440 CB THR A 27 0.936 24.230 -13.486 1.00 71.31 C ATOM 441 OG1 THR A 27 1.143 23.327 -14.578 1.00 70.12 O ATOM 442 CG2 THR A 27 -0.140 23.679 -12.563 1.00 31.12 C ATOM 0 H THR A 27 -1.050 24.903 -15.177 1.00 4.14 H new ATOM 0 HA THR A 27 0.597 26.342 -13.203 1.00 54.35 H new ATOM 0 HB THR A 27 1.862 24.332 -12.919 1.00 71.31 H new ATOM 0 HG1 THR A 27 0.293 23.175 -15.042 1.00 70.12 H new ATOM 0 HG21 THR A 27 0.161 22.696 -12.200 1.00 31.12 H new ATOM 0 HG22 THR A 27 -0.274 24.353 -11.717 1.00 31.12 H new ATOM 0 HG23 THR A 27 -1.079 23.592 -13.110 1.00 31.12 H new ATOM 450 N GLY A 28 0.976 26.401 -16.273 1.00 71.14 N ATOM 451 CA GLY A 28 1.812 26.806 -17.387 1.00 55.42 C ATOM 452 C GLY A 28 2.723 25.693 -17.864 1.00 63.01 C ATOM 453 O GLY A 28 3.808 25.949 -18.387 1.00 24.43 O ATOM 0 H GLY A 28 -0.027 26.431 -16.457 1.00 71.14 H new ATOM 0 HA2 GLY A 28 1.179 27.132 -18.212 1.00 55.42 H new ATOM 0 HA3 GLY A 28 2.416 27.664 -17.091 1.00 55.42 H new ATOM 457 N VAL A 29 2.283 24.452 -17.683 1.00 50.12 N ATOM 458 CA VAL A 29 3.066 23.294 -18.098 1.00 54.03 C ATOM 459 C VAL A 29 2.711 22.870 -19.519 1.00 24.12 C ATOM 460 O VAL A 29 1.543 22.840 -19.910 1.00 11.23 O ATOM 461 CB VAL A 29 2.851 22.101 -17.149 1.00 3.24 C ATOM 462 CG1 VAL A 29 2.947 20.787 -17.911 1.00 14.34 C ATOM 463 CG2 VAL A 29 3.857 22.140 -16.008 1.00 50.23 C ATOM 0 H VAL A 29 1.388 24.223 -17.251 1.00 50.12 H new ATOM 0 HA VAL A 29 4.114 23.592 -18.062 1.00 54.03 H new ATOM 0 HB VAL A 29 1.850 22.174 -16.723 1.00 3.24 H new ATOM 0 HG11 VAL A 29 2.792 19.956 -17.223 1.00 14.34 H new ATOM 0 HG12 VAL A 29 2.184 20.761 -18.689 1.00 14.34 H new ATOM 0 HG13 VAL A 29 3.933 20.702 -18.367 1.00 14.34 H new ATOM 0 HG21 VAL A 29 3.691 21.290 -15.347 1.00 50.23 H new ATOM 0 HG22 VAL A 29 4.868 22.093 -16.413 1.00 50.23 H new ATOM 0 HG23 VAL A 29 3.734 23.066 -15.446 1.00 50.23 H new ATOM 473 N PRO A 30 3.739 22.535 -20.311 1.00 5.34 N ATOM 474 CA PRO A 30 3.560 22.105 -21.701 1.00 54.13 C ATOM 475 C PRO A 30 2.905 20.731 -21.804 1.00 3.43 C ATOM 476 O PRO A 30 3.424 19.745 -21.280 1.00 5.21 O ATOM 477 CB PRO A 30 4.990 22.058 -22.246 1.00 44.23 C ATOM 478 CG PRO A 30 5.845 21.839 -21.045 1.00 71.13 C ATOM 479 CD PRO A 30 5.156 22.548 -19.912 1.00 14.15 C ATOM 0 HA PRO A 30 2.901 22.776 -22.253 1.00 54.13 H new ATOM 0 HB2 PRO A 30 5.111 21.253 -22.971 1.00 44.23 H new ATOM 0 HB3 PRO A 30 5.251 22.986 -22.754 1.00 44.23 H new ATOM 0 HG2 PRO A 30 5.953 20.776 -20.832 1.00 71.13 H new ATOM 0 HG3 PRO A 30 6.848 22.236 -21.202 1.00 71.13 H new ATOM 0 HD2 PRO A 30 5.311 22.034 -18.963 1.00 14.15 H new ATOM 0 HD3 PRO A 30 5.529 23.565 -19.788 1.00 14.15 H new ATOM 487 N TYR A 31 1.764 20.675 -22.483 1.00 25.44 N ATOM 488 CA TYR A 31 1.038 19.422 -22.652 1.00 32.30 C ATOM 489 C TYR A 31 1.882 18.401 -23.409 1.00 14.22 C ATOM 490 O TYR A 31 1.714 17.193 -23.241 1.00 34.33 O ATOM 491 CB TYR A 31 -0.275 19.666 -23.396 1.00 63.02 C ATOM 492 CG TYR A 31 -1.143 18.433 -23.515 1.00 1.51 C ATOM 493 CD1 TYR A 31 -0.942 17.516 -24.540 1.00 12.33 C ATOM 494 CD2 TYR A 31 -2.163 18.185 -22.605 1.00 32.10 C ATOM 495 CE1 TYR A 31 -1.732 16.388 -24.654 1.00 62.12 C ATOM 496 CE2 TYR A 31 -2.956 17.060 -22.711 1.00 35.12 C ATOM 497 CZ TYR A 31 -2.737 16.164 -23.737 1.00 32.41 C ATOM 498 OH TYR A 31 -3.526 15.043 -23.846 1.00 11.03 O ATOM 0 H TYR A 31 1.323 21.482 -22.925 1.00 25.44 H new ATOM 0 HA TYR A 31 0.818 19.022 -21.662 1.00 32.30 H new ATOM 0 HB2 TYR A 31 -0.835 20.446 -22.880 1.00 63.02 H new ATOM 0 HB3 TYR A 31 -0.052 20.041 -24.395 1.00 63.02 H new ATOM 0 HD1 TYR A 31 -0.155 17.688 -25.259 1.00 12.33 H new ATOM 0 HD2 TYR A 31 -2.339 18.884 -21.801 1.00 32.10 H new ATOM 0 HE1 TYR A 31 -1.563 15.686 -25.457 1.00 62.12 H new ATOM 0 HE2 TYR A 31 -3.744 16.882 -21.994 1.00 35.12 H new ATOM 0 HH TYR A 31 -4.185 15.035 -23.121 1.00 11.03 H new ATOM 508 N GLY A 32 2.792 18.896 -24.242 1.00 2.44 N ATOM 509 CA GLY A 32 3.649 18.014 -25.013 1.00 73.33 C ATOM 510 C GLY A 32 4.529 17.149 -24.134 1.00 15.40 C ATOM 511 O GLY A 32 4.820 16.000 -24.473 1.00 5.33 O ATOM 0 H GLY A 32 2.951 19.892 -24.397 1.00 2.44 H new ATOM 0 HA2 GLY A 32 3.033 17.375 -25.646 1.00 73.33 H new ATOM 0 HA3 GLY A 32 4.276 18.610 -25.676 1.00 73.33 H new ATOM 515 N THR A 33 4.956 17.699 -23.001 1.00 2.10 N ATOM 516 CA THR A 33 5.812 16.970 -22.074 1.00 33.22 C ATOM 517 C THR A 33 5.012 16.447 -20.885 1.00 41.20 C ATOM 518 O THR A 33 5.374 15.441 -20.274 1.00 25.30 O ATOM 519 CB THR A 33 6.961 17.854 -21.555 1.00 51.23 C ATOM 520 OG1 THR A 33 7.443 18.697 -22.608 1.00 63.51 O ATOM 521 CG2 THR A 33 8.101 17.002 -21.018 1.00 43.02 C ATOM 0 H THR A 33 4.723 18.646 -22.704 1.00 2.10 H new ATOM 0 HA THR A 33 6.232 16.129 -22.626 1.00 33.22 H new ATOM 0 HB THR A 33 6.577 18.471 -20.742 1.00 51.23 H new ATOM 0 HG1 THR A 33 8.172 19.258 -22.270 1.00 63.51 H new ATOM 0 HG21 THR A 33 8.900 17.649 -20.657 1.00 43.02 H new ATOM 0 HG22 THR A 33 7.737 16.383 -20.198 1.00 43.02 H new ATOM 0 HG23 THR A 33 8.483 16.362 -21.814 1.00 43.02 H new ATOM 529 N LEU A 34 3.925 17.137 -20.561 1.00 24.43 N ATOM 530 CA LEU A 34 3.072 16.742 -19.444 1.00 43.23 C ATOM 531 C LEU A 34 2.647 15.283 -19.573 1.00 50.10 C ATOM 532 O LEU A 34 2.589 14.553 -18.583 1.00 64.13 O ATOM 533 CB LEU A 34 1.837 17.641 -19.377 1.00 34.41 C ATOM 534 CG LEU A 34 0.774 17.246 -18.351 1.00 14.43 C ATOM 535 CD1 LEU A 34 1.192 17.679 -16.955 1.00 3.32 C ATOM 536 CD2 LEU A 34 -0.573 17.851 -18.717 1.00 12.32 C ATOM 0 H LEU A 34 3.612 17.973 -21.055 1.00 24.43 H new ATOM 0 HA LEU A 34 3.645 16.854 -18.524 1.00 43.23 H new ATOM 0 HB2 LEU A 34 2.164 18.658 -19.159 1.00 34.41 H new ATOM 0 HB3 LEU A 34 1.372 17.660 -20.363 1.00 34.41 H new ATOM 0 HG LEU A 34 0.676 16.160 -18.359 1.00 14.43 H new ATOM 0 HD11 LEU A 34 0.423 17.389 -16.239 1.00 3.32 H new ATOM 0 HD12 LEU A 34 2.134 17.197 -16.691 1.00 3.32 H new ATOM 0 HD13 LEU A 34 1.319 18.761 -16.933 1.00 3.32 H new ATOM 0 HD21 LEU A 34 -1.317 17.559 -17.976 1.00 12.32 H new ATOM 0 HD22 LEU A 34 -0.490 18.938 -18.739 1.00 12.32 H new ATOM 0 HD23 LEU A 34 -0.879 17.491 -19.699 1.00 12.32 H new ATOM 548 N SER A 35 2.353 14.864 -20.800 1.00 63.13 N ATOM 549 CA SER A 35 1.932 13.492 -21.059 1.00 73.31 C ATOM 550 C SER A 35 2.926 12.498 -20.464 1.00 51.22 C ATOM 551 O SER A 35 2.545 11.415 -20.017 1.00 50.40 O ATOM 552 CB SER A 35 1.793 13.254 -22.564 1.00 42.24 C ATOM 553 OG SER A 35 1.858 11.872 -22.869 1.00 24.01 O ATOM 0 H SER A 35 2.399 15.455 -21.630 1.00 63.13 H new ATOM 0 HA SER A 35 0.963 13.339 -20.584 1.00 73.31 H new ATOM 0 HB2 SER A 35 0.845 13.663 -22.914 1.00 42.24 H new ATOM 0 HB3 SER A 35 2.584 13.784 -23.094 1.00 42.24 H new ATOM 0 HG SER A 35 1.765 11.746 -23.836 1.00 24.01 H new ATOM 559 N TYR A 36 4.199 12.873 -20.464 1.00 24.31 N ATOM 560 CA TYR A 36 5.249 12.014 -19.929 1.00 24.32 C ATOM 561 C TYR A 36 5.462 12.279 -18.441 1.00 10.31 C ATOM 562 O TYR A 36 5.962 11.422 -17.712 1.00 72.52 O ATOM 563 CB TYR A 36 6.557 12.237 -20.690 1.00 60.32 C ATOM 564 CG TYR A 36 6.383 12.284 -22.191 1.00 21.33 C ATOM 565 CD1 TYR A 36 5.796 11.226 -22.875 1.00 33.34 C ATOM 566 CD2 TYR A 36 6.806 13.385 -22.925 1.00 21.51 C ATOM 567 CE1 TYR A 36 5.636 11.264 -24.247 1.00 14.13 C ATOM 568 CE2 TYR A 36 6.649 13.432 -24.296 1.00 11.33 C ATOM 569 CZ TYR A 36 6.063 12.369 -24.953 1.00 3.04 C ATOM 570 OH TYR A 36 5.906 12.413 -26.320 1.00 45.51 O ATOM 0 H TYR A 36 4.530 13.766 -20.828 1.00 24.31 H new ATOM 0 HA TYR A 36 4.936 10.978 -20.055 1.00 24.32 H new ATOM 0 HB2 TYR A 36 7.008 13.171 -20.355 1.00 60.32 H new ATOM 0 HB3 TYR A 36 7.255 11.438 -20.438 1.00 60.32 H new ATOM 0 HD1 TYR A 36 5.459 10.360 -22.325 1.00 33.34 H new ATOM 0 HD2 TYR A 36 7.266 14.218 -22.415 1.00 21.51 H new ATOM 0 HE1 TYR A 36 5.179 10.433 -24.764 1.00 14.13 H new ATOM 0 HE2 TYR A 36 6.983 14.296 -24.851 1.00 11.33 H new ATOM 0 HH TYR A 36 6.258 13.261 -26.663 1.00 45.51 H new ATOM 580 N TYR A 37 5.078 13.470 -17.998 1.00 54.21 N ATOM 581 CA TYR A 37 5.228 13.850 -16.598 1.00 5.01 C ATOM 582 C TYR A 37 4.398 12.942 -15.696 1.00 44.23 C ATOM 583 O TYR A 37 4.935 12.077 -15.005 1.00 51.30 O ATOM 584 CB TYR A 37 4.812 15.308 -16.395 1.00 11.33 C ATOM 585 CG TYR A 37 5.932 16.296 -16.635 1.00 63.44 C ATOM 586 CD1 TYR A 37 6.929 16.034 -17.565 1.00 74.01 C ATOM 587 CD2 TYR A 37 5.991 17.491 -15.930 1.00 44.14 C ATOM 588 CE1 TYR A 37 7.955 16.933 -17.787 1.00 44.51 C ATOM 589 CE2 TYR A 37 7.012 18.398 -16.145 1.00 1.34 C ATOM 590 CZ TYR A 37 7.991 18.114 -17.075 1.00 71.32 C ATOM 591 OH TYR A 37 9.009 19.013 -17.292 1.00 40.12 O ATOM 0 H TYR A 37 4.660 14.190 -18.588 1.00 54.21 H new ATOM 0 HA TYR A 37 6.278 13.739 -16.328 1.00 5.01 H new ATOM 0 HB2 TYR A 37 3.985 15.538 -17.067 1.00 11.33 H new ATOM 0 HB3 TYR A 37 4.440 15.433 -15.378 1.00 11.33 H new ATOM 0 HD1 TYR A 37 6.902 15.111 -18.125 1.00 74.01 H new ATOM 0 HD2 TYR A 37 5.226 17.716 -15.201 1.00 44.14 H new ATOM 0 HE1 TYR A 37 8.723 16.712 -18.513 1.00 44.51 H new ATOM 0 HE2 TYR A 37 7.043 19.323 -15.589 1.00 1.34 H new ATOM 0 HH TYR A 37 8.886 19.793 -16.711 1.00 40.12 H new ATOM 601 N GLU A 38 3.084 13.148 -15.709 1.00 3.11 N ATOM 602 CA GLU A 38 2.179 12.348 -14.891 1.00 5.14 C ATOM 603 C GLU A 38 2.326 10.863 -15.211 1.00 64.14 C ATOM 604 O GLU A 38 2.004 10.006 -14.388 1.00 41.42 O ATOM 605 CB GLU A 38 0.731 12.789 -15.115 1.00 45.31 C ATOM 606 CG GLU A 38 0.270 12.655 -16.557 1.00 24.31 C ATOM 607 CD GLU A 38 -0.519 11.383 -16.802 1.00 34.22 C ATOM 608 OE1 GLU A 38 -1.273 10.969 -15.897 1.00 33.41 O ATOM 609 OE2 GLU A 38 -0.382 10.801 -17.898 1.00 25.54 O ATOM 0 H GLU A 38 2.624 13.860 -16.276 1.00 3.11 H new ATOM 0 HA GLU A 38 2.441 12.504 -13.845 1.00 5.14 H new ATOM 0 HB2 GLU A 38 0.076 12.196 -14.477 1.00 45.31 H new ATOM 0 HB3 GLU A 38 0.624 13.828 -14.803 1.00 45.31 H new ATOM 0 HG2 GLU A 38 -0.345 13.516 -16.819 1.00 24.31 H new ATOM 0 HG3 GLU A 38 1.139 12.672 -17.215 1.00 24.31 H new ATOM 616 N SER A 39 2.814 10.567 -16.411 1.00 60.13 N ATOM 617 CA SER A 39 2.999 9.186 -16.842 1.00 34.13 C ATOM 618 C SER A 39 4.174 8.542 -16.112 1.00 11.41 C ATOM 619 O SER A 39 4.317 7.321 -16.097 1.00 14.05 O ATOM 620 CB SER A 39 3.229 9.128 -18.354 1.00 51.23 C ATOM 621 OG SER A 39 1.999 9.064 -19.053 1.00 13.01 O ATOM 0 H SER A 39 3.089 11.265 -17.102 1.00 60.13 H new ATOM 0 HA SER A 39 2.094 8.630 -16.598 1.00 34.13 H new ATOM 0 HB2 SER A 39 3.788 10.007 -18.674 1.00 51.23 H new ATOM 0 HB3 SER A 39 3.837 8.257 -18.600 1.00 51.23 H new ATOM 0 HG SER A 39 1.920 9.839 -19.648 1.00 13.01 H new ATOM 627 N GLY A 40 5.014 9.377 -15.506 1.00 14.52 N ATOM 628 CA GLY A 40 6.166 8.872 -14.782 1.00 24.23 C ATOM 629 C GLY A 40 7.332 8.554 -15.697 1.00 45.11 C ATOM 630 O GLY A 40 8.360 8.044 -15.250 1.00 74.53 O ATOM 0 H GLY A 40 4.917 10.392 -15.504 1.00 14.52 H new ATOM 0 HA2 GLY A 40 6.479 9.610 -14.043 1.00 24.23 H new ATOM 0 HA3 GLY A 40 5.882 7.973 -14.235 1.00 24.23 H new ATOM 634 N ARG A 41 7.173 8.853 -16.982 1.00 4.24 N ATOM 635 CA ARG A 41 8.220 8.594 -17.963 1.00 13.35 C ATOM 636 C ARG A 41 9.549 9.187 -17.508 1.00 52.13 C ATOM 637 O ARG A 41 10.616 8.655 -17.817 1.00 61.34 O ATOM 638 CB ARG A 41 7.828 9.173 -19.323 1.00 40.30 C ATOM 639 CG ARG A 41 8.158 8.259 -20.492 1.00 52.51 C ATOM 640 CD ARG A 41 7.205 7.075 -20.560 1.00 42.11 C ATOM 641 NE ARG A 41 7.392 6.292 -21.778 1.00 62.55 N ATOM 642 CZ ARG A 41 6.615 5.271 -22.122 1.00 34.51 C ATOM 643 NH1 ARG A 41 5.604 4.912 -21.343 1.00 62.54 N ATOM 644 NH2 ARG A 41 6.848 4.607 -23.247 1.00 43.33 N ATOM 0 H ARG A 41 6.329 9.275 -17.368 1.00 4.24 H new ATOM 0 HA ARG A 41 8.337 7.514 -18.057 1.00 13.35 H new ATOM 0 HB2 ARG A 41 6.758 9.380 -19.325 1.00 40.30 H new ATOM 0 HB3 ARG A 41 8.337 10.126 -19.463 1.00 40.30 H new ATOM 0 HG2 ARG A 41 8.105 8.824 -21.423 1.00 52.51 H new ATOM 0 HG3 ARG A 41 9.182 7.898 -20.395 1.00 52.51 H new ATOM 0 HD2 ARG A 41 7.359 6.436 -19.691 1.00 42.11 H new ATOM 0 HD3 ARG A 41 6.177 7.434 -20.514 1.00 42.11 H new ATOM 0 HE ARG A 41 8.161 6.543 -22.399 1.00 62.55 H new ATOM 0 HH11 ARG A 41 5.422 5.420 -20.478 1.00 62.54 H new ATOM 0 HH12 ARG A 41 5.009 4.128 -21.609 1.00 62.54 H new ATOM 0 HH21 ARG A 41 7.625 4.880 -23.849 1.00 43.33 H new ATOM 0 HH22 ARG A 41 6.250 3.823 -23.510 1.00 43.33 H new ATOM 658 N SER A 42 9.479 10.293 -16.774 1.00 70.41 N ATOM 659 CA SER A 42 10.677 10.962 -16.282 1.00 61.23 C ATOM 660 C SER A 42 10.329 11.961 -15.183 1.00 5.23 C ATOM 661 O SER A 42 9.694 12.986 -15.437 1.00 13.14 O ATOM 662 CB SER A 42 11.396 11.676 -17.427 1.00 24.10 C ATOM 663 OG SER A 42 12.438 10.874 -17.954 1.00 12.30 O ATOM 0 H SER A 42 8.604 10.745 -16.507 1.00 70.41 H new ATOM 0 HA SER A 42 11.340 10.204 -15.864 1.00 61.23 H new ATOM 0 HB2 SER A 42 10.683 11.915 -18.216 1.00 24.10 H new ATOM 0 HB3 SER A 42 11.805 12.621 -17.070 1.00 24.10 H new ATOM 0 HG SER A 42 12.120 9.953 -18.061 1.00 12.30 H new ATOM 669 N THR A 43 10.747 11.656 -13.959 1.00 12.02 N ATOM 670 CA THR A 43 10.479 12.525 -12.820 1.00 14.23 C ATOM 671 C THR A 43 10.906 13.959 -13.111 1.00 53.01 C ATOM 672 O THR A 43 12.049 14.230 -13.479 1.00 0.33 O ATOM 673 CB THR A 43 11.205 12.032 -11.554 1.00 21.52 C ATOM 674 OG1 THR A 43 10.758 10.715 -11.214 1.00 2.04 O ATOM 675 CG2 THR A 43 10.955 12.974 -10.385 1.00 51.25 C ATOM 0 H THR A 43 11.273 10.813 -13.731 1.00 12.02 H new ATOM 0 HA THR A 43 9.403 12.497 -12.647 1.00 14.23 H new ATOM 0 HB THR A 43 12.275 12.010 -11.761 1.00 21.52 H new ATOM 0 HG1 THR A 43 11.226 10.408 -10.409 1.00 2.04 H new ATOM 0 HG21 THR A 43 11.478 12.605 -9.502 1.00 51.25 H new ATOM 0 HG22 THR A 43 11.322 13.969 -10.635 1.00 51.25 H new ATOM 0 HG23 THR A 43 9.886 13.023 -10.179 1.00 51.25 H new ATOM 683 N PRO A 44 9.968 14.903 -12.939 1.00 21.02 N ATOM 684 CA PRO A 44 10.225 16.326 -13.177 1.00 52.42 C ATOM 685 C PRO A 44 11.161 16.928 -12.134 1.00 70.25 C ATOM 686 O PRO A 44 11.431 16.333 -11.091 1.00 3.54 O ATOM 687 CB PRO A 44 8.835 16.959 -13.078 1.00 71.00 C ATOM 688 CG PRO A 44 8.057 16.030 -12.210 1.00 72.24 C ATOM 689 CD PRO A 44 8.585 14.653 -12.501 1.00 61.30 C ATOM 0 HA PRO A 44 10.718 16.497 -14.134 1.00 52.42 H new ATOM 0 HB2 PRO A 44 8.885 17.958 -12.644 1.00 71.00 H new ATOM 0 HB3 PRO A 44 8.375 17.061 -14.061 1.00 71.00 H new ATOM 0 HG2 PRO A 44 8.183 16.282 -11.157 1.00 72.24 H new ATOM 0 HG3 PRO A 44 6.991 16.093 -12.428 1.00 72.24 H new ATOM 0 HD2 PRO A 44 8.552 14.015 -11.618 1.00 61.30 H new ATOM 0 HD3 PRO A 44 8.002 14.155 -13.276 1.00 61.30 H new ATOM 697 N PRO A 45 11.667 18.137 -12.419 1.00 71.15 N ATOM 698 CA PRO A 45 12.579 18.847 -11.517 1.00 45.31 C ATOM 699 C PRO A 45 11.882 19.329 -10.250 1.00 45.42 C ATOM 700 O PRO A 45 10.740 18.958 -9.977 1.00 14.40 O ATOM 701 CB PRO A 45 13.051 20.038 -12.354 1.00 13.01 C ATOM 702 CG PRO A 45 11.958 20.263 -13.343 1.00 51.14 C ATOM 703 CD PRO A 45 11.387 18.905 -13.644 1.00 25.43 C ATOM 0 HA PRO A 45 13.389 18.206 -11.169 1.00 45.31 H new ATOM 0 HB2 PRO A 45 13.211 20.920 -11.733 1.00 13.01 H new ATOM 0 HB3 PRO A 45 13.997 19.822 -12.851 1.00 13.01 H new ATOM 0 HG2 PRO A 45 11.194 20.926 -12.937 1.00 51.14 H new ATOM 0 HG3 PRO A 45 12.341 20.735 -14.248 1.00 51.14 H new ATOM 0 HD2 PRO A 45 10.318 18.956 -13.851 1.00 25.43 H new ATOM 0 HD3 PRO A 45 11.860 18.455 -14.517 1.00 25.43 H new ATOM 711 N THR A 46 12.576 20.159 -9.477 1.00 13.11 N ATOM 712 CA THR A 46 12.024 20.692 -8.239 1.00 31.11 C ATOM 713 C THR A 46 11.352 22.040 -8.471 1.00 24.32 C ATOM 714 O THR A 46 10.509 22.469 -7.683 1.00 10.01 O ATOM 715 CB THR A 46 13.113 20.853 -7.161 1.00 23.32 C ATOM 716 OG1 THR A 46 13.743 19.592 -6.909 1.00 51.14 O ATOM 717 CG2 THR A 46 12.521 21.397 -5.870 1.00 20.13 C ATOM 0 H THR A 46 13.522 20.476 -9.688 1.00 13.11 H new ATOM 0 HA THR A 46 11.281 19.974 -7.891 1.00 31.11 H new ATOM 0 HB THR A 46 13.855 21.562 -7.529 1.00 23.32 H new ATOM 0 HG1 THR A 46 14.236 19.307 -7.707 1.00 51.14 H new ATOM 0 HG21 THR A 46 13.309 21.502 -5.124 1.00 20.13 H new ATOM 0 HG22 THR A 46 12.068 22.370 -6.059 1.00 20.13 H new ATOM 0 HG23 THR A 46 11.761 20.709 -5.500 1.00 20.13 H new ATOM 725 N ASP A 47 11.730 22.705 -9.557 1.00 42.22 N ATOM 726 CA ASP A 47 11.162 24.006 -9.895 1.00 11.00 C ATOM 727 C ASP A 47 9.791 23.847 -10.543 1.00 64.31 C ATOM 728 O ASP A 47 8.944 24.736 -10.453 1.00 65.11 O ATOM 729 CB ASP A 47 12.100 24.767 -10.834 1.00 53.22 C ATOM 730 CG ASP A 47 12.044 26.265 -10.618 1.00 65.03 C ATOM 731 OD1 ASP A 47 11.020 26.752 -10.091 1.00 21.44 O ATOM 732 OD2 ASP A 47 13.023 26.953 -10.974 1.00 61.13 O ATOM 0 H ASP A 47 12.428 22.365 -10.219 1.00 42.22 H new ATOM 0 HA ASP A 47 11.044 24.575 -8.973 1.00 11.00 H new ATOM 0 HB2 ASP A 47 13.122 24.419 -10.683 1.00 53.22 H new ATOM 0 HB3 ASP A 47 11.836 24.542 -11.867 1.00 53.22 H new ATOM 737 N VAL A 48 9.578 22.710 -11.198 1.00 60.11 N ATOM 738 CA VAL A 48 8.309 22.436 -11.862 1.00 45.24 C ATOM 739 C VAL A 48 7.358 21.684 -10.939 1.00 11.34 C ATOM 740 O VAL A 48 6.201 22.070 -10.775 1.00 1.53 O ATOM 741 CB VAL A 48 8.515 21.615 -13.148 1.00 14.52 C ATOM 742 CG1 VAL A 48 7.178 21.295 -13.798 1.00 74.34 C ATOM 743 CG2 VAL A 48 9.424 22.359 -14.116 1.00 62.30 C ATOM 0 H VAL A 48 10.268 21.964 -11.283 1.00 60.11 H new ATOM 0 HA VAL A 48 7.872 23.400 -12.122 1.00 45.24 H new ATOM 0 HB VAL A 48 8.997 20.674 -12.884 1.00 14.52 H new ATOM 0 HG11 VAL A 48 7.344 20.714 -14.705 1.00 74.34 H new ATOM 0 HG12 VAL A 48 6.565 20.718 -13.105 1.00 74.34 H new ATOM 0 HG13 VAL A 48 6.665 22.223 -14.050 1.00 74.34 H new ATOM 0 HG21 VAL A 48 9.558 21.764 -15.019 1.00 62.30 H new ATOM 0 HG22 VAL A 48 8.973 23.316 -14.376 1.00 62.30 H new ATOM 0 HG23 VAL A 48 10.393 22.530 -13.647 1.00 62.30 H new ATOM 753 N MET A 49 7.853 20.607 -10.337 1.00 23.51 N ATOM 754 CA MET A 49 7.047 19.801 -9.428 1.00 32.02 C ATOM 755 C MET A 49 6.430 20.668 -8.334 1.00 43.12 C ATOM 756 O MET A 49 5.414 20.306 -7.743 1.00 54.11 O ATOM 757 CB MET A 49 7.898 18.697 -8.799 1.00 51.33 C ATOM 758 CG MET A 49 8.720 19.164 -7.609 1.00 21.11 C ATOM 759 SD MET A 49 8.010 18.655 -6.032 1.00 71.53 S ATOM 760 CE MET A 49 7.709 20.247 -5.266 1.00 52.32 C ATOM 0 H MET A 49 8.808 20.273 -10.463 1.00 23.51 H new ATOM 0 HA MET A 49 6.242 19.345 -10.004 1.00 32.02 H new ATOM 0 HB2 MET A 49 7.246 17.883 -8.482 1.00 51.33 H new ATOM 0 HB3 MET A 49 8.569 18.291 -9.556 1.00 51.33 H new ATOM 0 HG2 MET A 49 9.732 18.767 -7.693 1.00 21.11 H new ATOM 0 HG3 MET A 49 8.801 20.251 -7.633 1.00 21.11 H new ATOM 0 HE1 MET A 49 7.824 20.159 -4.186 1.00 52.32 H new ATOM 0 HE2 MET A 49 8.423 20.976 -5.649 1.00 52.32 H new ATOM 0 HE3 MET A 49 6.696 20.576 -5.497 1.00 52.32 H new ATOM 770 N MET A 50 7.052 21.812 -8.071 1.00 13.33 N ATOM 771 CA MET A 50 6.563 22.730 -7.049 1.00 63.34 C ATOM 772 C MET A 50 5.534 23.693 -7.631 1.00 13.15 C ATOM 773 O MET A 50 4.622 24.138 -6.933 1.00 31.51 O ATOM 774 CB MET A 50 7.726 23.516 -6.440 1.00 63.11 C ATOM 775 CG MET A 50 8.119 24.743 -7.247 1.00 51.43 C ATOM 776 SD MET A 50 9.612 25.538 -6.620 1.00 41.12 S ATOM 777 CE MET A 50 9.292 25.517 -4.858 1.00 52.14 C ATOM 0 H MET A 50 7.895 22.126 -8.551 1.00 13.33 H new ATOM 0 HA MET A 50 6.083 22.141 -6.267 1.00 63.34 H new ATOM 0 HB2 MET A 50 7.455 23.826 -5.431 1.00 63.11 H new ATOM 0 HB3 MET A 50 8.591 22.858 -6.350 1.00 63.11 H new ATOM 0 HG2 MET A 50 8.275 24.455 -8.287 1.00 51.43 H new ATOM 0 HG3 MET A 50 7.298 25.460 -7.235 1.00 51.43 H new ATOM 0 HE1 MET A 50 9.991 26.184 -4.353 1.00 52.14 H new ATOM 0 HE2 MET A 50 8.271 25.850 -4.670 1.00 52.14 H new ATOM 0 HE3 MET A 50 9.419 24.504 -4.477 1.00 52.14 H new ATOM 787 N ASN A 51 5.685 24.011 -8.912 1.00 65.21 N ATOM 788 CA ASN A 51 4.767 24.922 -9.588 1.00 34.45 C ATOM 789 C ASN A 51 3.400 24.273 -9.782 1.00 20.22 C ATOM 790 O ASN A 51 2.410 24.955 -10.044 1.00 30.14 O ATOM 791 CB ASN A 51 5.341 25.346 -10.941 1.00 31.11 C ATOM 792 CG ASN A 51 5.971 26.725 -10.896 1.00 2.32 C ATOM 793 OD1 ASN A 51 5.590 27.619 -11.652 1.00 22.00 O ATOM 794 ND2 ASN A 51 6.942 26.902 -10.009 1.00 22.11 N ATOM 0 H ASN A 51 6.434 23.652 -9.504 1.00 65.21 H new ATOM 0 HA ASN A 51 4.643 25.805 -8.961 1.00 34.45 H new ATOM 0 HB2 ASN A 51 6.088 24.619 -11.260 1.00 31.11 H new ATOM 0 HB3 ASN A 51 4.547 25.336 -11.688 1.00 31.11 H new ATOM 0 HD21 ASN A 51 7.405 27.808 -9.934 1.00 22.11 H new ATOM 0 HD22 ASN A 51 7.225 26.132 -9.402 1.00 22.11 H new ATOM 801 N ILE A 52 3.355 22.951 -9.652 1.00 3.55 N ATOM 802 CA ILE A 52 2.110 22.211 -9.811 1.00 73.42 C ATOM 803 C ILE A 52 1.339 22.143 -8.498 1.00 71.13 C ATOM 804 O ILE A 52 0.109 22.066 -8.490 1.00 32.44 O ATOM 805 CB ILE A 52 2.369 20.779 -10.316 1.00 62.11 C ATOM 806 CG1 ILE A 52 3.311 20.803 -11.522 1.00 74.14 C ATOM 807 CG2 ILE A 52 1.055 20.100 -10.677 1.00 33.12 C ATOM 808 CD1 ILE A 52 3.021 21.924 -12.494 1.00 62.23 C ATOM 0 H ILE A 52 4.166 22.371 -9.437 1.00 3.55 H new ATOM 0 HA ILE A 52 1.515 22.748 -10.550 1.00 73.42 H new ATOM 0 HB ILE A 52 2.844 20.208 -9.519 1.00 62.11 H new ATOM 0 HG12 ILE A 52 4.338 20.896 -11.169 1.00 74.14 H new ATOM 0 HG13 ILE A 52 3.240 19.850 -12.047 1.00 74.14 H new ATOM 0 HG21 ILE A 52 1.254 19.089 -11.032 1.00 33.12 H new ATOM 0 HG22 ILE A 52 0.414 20.056 -9.796 1.00 33.12 H new ATOM 0 HG23 ILE A 52 0.555 20.668 -11.461 1.00 33.12 H new ATOM 0 HD11 ILE A 52 3.727 21.879 -13.323 1.00 62.23 H new ATOM 0 HD12 ILE A 52 2.006 21.820 -12.876 1.00 62.23 H new ATOM 0 HD13 ILE A 52 3.121 22.882 -11.984 1.00 62.23 H new ATOM 820 N LEU A 53 2.068 22.174 -7.387 1.00 51.45 N ATOM 821 CA LEU A 53 1.453 22.118 -6.065 1.00 74.54 C ATOM 822 C LEU A 53 1.227 23.519 -5.510 1.00 34.01 C ATOM 823 O LEU A 53 0.306 23.746 -4.725 1.00 42.22 O ATOM 824 CB LEU A 53 2.330 21.311 -5.107 1.00 74.22 C ATOM 825 CG LEU A 53 1.803 19.932 -4.712 1.00 41.43 C ATOM 826 CD1 LEU A 53 1.335 19.168 -5.942 1.00 53.22 C ATOM 827 CD2 LEU A 53 2.872 19.145 -3.968 1.00 13.23 C ATOM 0 H LEU A 53 3.086 22.238 -7.376 1.00 51.45 H new ATOM 0 HA LEU A 53 0.485 21.626 -6.162 1.00 74.54 H new ATOM 0 HB2 LEU A 53 3.311 21.185 -5.564 1.00 74.22 H new ATOM 0 HB3 LEU A 53 2.474 21.896 -4.199 1.00 74.22 H new ATOM 0 HG LEU A 53 0.951 20.067 -4.046 1.00 41.43 H new ATOM 0 HD11 LEU A 53 0.963 18.188 -5.642 1.00 53.22 H new ATOM 0 HD12 LEU A 53 0.537 19.724 -6.434 1.00 53.22 H new ATOM 0 HD13 LEU A 53 2.169 19.043 -6.632 1.00 53.22 H new ATOM 0 HD21 LEU A 53 2.479 18.166 -3.695 1.00 13.23 H new ATOM 0 HD22 LEU A 53 3.744 19.020 -4.610 1.00 13.23 H new ATOM 0 HD23 LEU A 53 3.160 19.685 -3.066 1.00 13.23 H new ATOM 839 N GLN A 54 2.071 24.458 -5.925 1.00 35.22 N ATOM 840 CA GLN A 54 1.962 25.840 -5.470 1.00 5.24 C ATOM 841 C GLN A 54 0.597 26.422 -5.822 1.00 40.02 C ATOM 842 O GLN A 54 0.144 27.387 -5.204 1.00 11.30 O ATOM 843 CB GLN A 54 3.070 26.692 -6.091 1.00 13.40 C ATOM 844 CG GLN A 54 2.826 27.035 -7.552 1.00 75.21 C ATOM 845 CD GLN A 54 3.833 28.032 -8.092 1.00 20.35 C ATOM 846 OE1 GLN A 54 3.475 28.962 -8.816 1.00 45.45 O ATOM 847 NE2 GLN A 54 5.100 27.844 -7.743 1.00 73.44 N ATOM 0 H GLN A 54 2.838 24.288 -6.575 1.00 35.22 H new ATOM 0 HA GLN A 54 2.072 25.850 -4.386 1.00 5.24 H new ATOM 0 HB2 GLN A 54 3.169 27.616 -5.521 1.00 13.40 H new ATOM 0 HB3 GLN A 54 4.018 26.160 -6.004 1.00 13.40 H new ATOM 0 HG2 GLN A 54 2.868 26.123 -8.148 1.00 75.21 H new ATOM 0 HG3 GLN A 54 1.821 27.442 -7.663 1.00 75.21 H new ATOM 0 HE21 GLN A 54 5.352 27.060 -7.141 1.00 73.44 H new ATOM 0 HE22 GLN A 54 5.821 28.483 -8.077 1.00 73.44 H new ATOM 856 N THR A 55 -0.054 25.830 -6.818 1.00 23.53 N ATOM 857 CA THR A 55 -1.367 26.292 -7.253 1.00 24.25 C ATOM 858 C THR A 55 -2.336 26.379 -6.079 1.00 71.25 C ATOM 859 O THR A 55 -2.204 25.672 -5.080 1.00 30.33 O ATOM 860 CB THR A 55 -1.962 25.361 -8.327 1.00 54.30 C ATOM 861 OG1 THR A 55 -1.536 24.013 -8.098 1.00 42.52 O ATOM 862 CG2 THR A 55 -1.538 25.803 -9.720 1.00 51.14 C ATOM 0 H THR A 55 0.306 25.030 -7.339 1.00 23.53 H new ATOM 0 HA THR A 55 -1.228 27.285 -7.680 1.00 24.25 H new ATOM 0 HB THR A 55 -3.049 25.414 -8.261 1.00 54.30 H new ATOM 0 HG1 THR A 55 -0.717 23.838 -8.606 1.00 42.52 H new ATOM 0 HG21 THR A 55 -1.970 25.131 -10.462 1.00 51.14 H new ATOM 0 HG22 THR A 55 -1.889 26.819 -9.902 1.00 51.14 H new ATOM 0 HG23 THR A 55 -0.451 25.776 -9.795 1.00 51.14 H new ATOM 870 N PRO A 56 -3.335 27.266 -6.201 1.00 53.52 N ATOM 871 CA PRO A 56 -4.347 27.465 -5.159 1.00 12.33 C ATOM 872 C PRO A 56 -5.290 26.274 -5.031 1.00 31.34 C ATOM 873 O PRO A 56 -5.831 26.013 -3.957 1.00 43.31 O ATOM 874 CB PRO A 56 -5.111 28.702 -5.638 1.00 41.51 C ATOM 875 CG PRO A 56 -4.922 28.715 -7.116 1.00 31.12 C ATOM 876 CD PRO A 56 -3.553 28.141 -7.364 1.00 2.04 C ATOM 0 HA PRO A 56 -3.898 27.579 -4.172 1.00 12.33 H new ATOM 0 HB2 PRO A 56 -6.167 28.642 -5.374 1.00 41.51 H new ATOM 0 HB3 PRO A 56 -4.720 29.611 -5.181 1.00 41.51 H new ATOM 0 HG2 PRO A 56 -5.690 28.122 -7.613 1.00 31.12 H new ATOM 0 HG3 PRO A 56 -4.997 29.728 -7.510 1.00 31.12 H new ATOM 0 HD2 PRO A 56 -3.515 27.583 -8.300 1.00 2.04 H new ATOM 0 HD3 PRO A 56 -2.795 28.922 -7.427 1.00 2.04 H new ATOM 884 N GLN A 57 -5.479 25.554 -6.132 1.00 54.13 N ATOM 885 CA GLN A 57 -6.357 24.390 -6.141 1.00 35.45 C ATOM 886 C GLN A 57 -5.659 23.177 -5.535 1.00 15.23 C ATOM 887 O GLN A 57 -6.296 22.330 -4.908 1.00 55.15 O ATOM 888 CB GLN A 57 -6.806 24.075 -7.569 1.00 31.22 C ATOM 889 CG GLN A 57 -5.652 23.873 -8.539 1.00 70.00 C ATOM 890 CD GLN A 57 -5.635 24.907 -9.647 1.00 22.24 C ATOM 891 OE1 GLN A 57 -4.845 25.852 -9.618 1.00 74.05 O ATOM 892 NE2 GLN A 57 -6.507 24.734 -10.633 1.00 50.03 N ATOM 0 H GLN A 57 -5.036 25.756 -7.028 1.00 54.13 H new ATOM 0 HA GLN A 57 -7.233 24.622 -5.535 1.00 35.45 H new ATOM 0 HB2 GLN A 57 -7.422 23.176 -7.557 1.00 31.22 H new ATOM 0 HB3 GLN A 57 -7.436 24.888 -7.931 1.00 31.22 H new ATOM 0 HG2 GLN A 57 -4.710 23.917 -7.992 1.00 70.00 H new ATOM 0 HG3 GLN A 57 -5.720 22.877 -8.977 1.00 70.00 H new ATOM 0 HE21 GLN A 57 -7.143 23.937 -10.617 1.00 50.03 H new ATOM 0 HE22 GLN A 57 -6.541 25.398 -11.406 1.00 50.03 H new ATOM 901 N PHE A 58 -4.347 23.099 -5.728 1.00 44.33 N ATOM 902 CA PHE A 58 -3.563 21.987 -5.201 1.00 12.11 C ATOM 903 C PHE A 58 -2.795 22.409 -3.951 1.00 32.20 C ATOM 904 O PHE A 58 -1.663 21.976 -3.728 1.00 14.11 O ATOM 905 CB PHE A 58 -2.588 21.475 -6.264 1.00 65.32 C ATOM 906 CG PHE A 58 -3.265 20.813 -7.429 1.00 64.12 C ATOM 907 CD1 PHE A 58 -3.668 19.490 -7.352 1.00 14.53 C ATOM 908 CD2 PHE A 58 -3.499 21.514 -8.601 1.00 54.23 C ATOM 909 CE1 PHE A 58 -4.291 18.878 -8.423 1.00 51.05 C ATOM 910 CE2 PHE A 58 -4.122 20.907 -9.676 1.00 13.32 C ATOM 911 CZ PHE A 58 -4.519 19.588 -9.586 1.00 14.14 C ATOM 0 H PHE A 58 -3.804 23.791 -6.245 1.00 44.33 H new ATOM 0 HA PHE A 58 -4.250 21.185 -4.931 1.00 12.11 H new ATOM 0 HB2 PHE A 58 -1.989 22.310 -6.628 1.00 65.32 H new ATOM 0 HB3 PHE A 58 -1.900 20.766 -5.803 1.00 65.32 H new ATOM 0 HD1 PHE A 58 -3.493 18.931 -6.445 1.00 14.53 H new ATOM 0 HD2 PHE A 58 -3.191 22.547 -8.676 1.00 54.23 H new ATOM 0 HE1 PHE A 58 -4.599 17.845 -8.351 1.00 51.05 H new ATOM 0 HE2 PHE A 58 -4.298 21.464 -10.584 1.00 13.32 H new ATOM 0 HZ PHE A 58 -5.007 19.112 -10.423 1.00 14.14 H new ATOM 921 N THR A 59 -3.418 23.256 -3.139 1.00 4.20 N ATOM 922 CA THR A 59 -2.795 23.738 -1.912 1.00 22.31 C ATOM 923 C THR A 59 -3.010 22.758 -0.764 1.00 21.11 C ATOM 924 O THR A 59 -2.185 22.657 0.143 1.00 21.14 O ATOM 925 CB THR A 59 -3.346 25.117 -1.506 1.00 62.34 C ATOM 926 OG1 THR A 59 -2.616 25.626 -0.384 1.00 4.22 O ATOM 927 CG2 THR A 59 -4.824 25.027 -1.157 1.00 32.12 C ATOM 0 H THR A 59 -4.354 23.623 -3.309 1.00 4.20 H new ATOM 0 HA THR A 59 -1.728 23.827 -2.114 1.00 22.31 H new ATOM 0 HB THR A 59 -3.229 25.794 -2.352 1.00 62.34 H new ATOM 0 HG1 THR A 59 -2.972 26.504 -0.133 1.00 4.22 H new ATOM 0 HG21 THR A 59 -5.192 26.013 -0.873 1.00 32.12 H new ATOM 0 HG22 THR A 59 -5.381 24.667 -2.022 1.00 32.12 H new ATOM 0 HG23 THR A 59 -4.960 24.336 -0.325 1.00 32.12 H new ATOM 935 N LYS A 60 -4.126 22.037 -0.810 1.00 35.52 N ATOM 936 CA LYS A 60 -4.451 21.063 0.225 1.00 52.53 C ATOM 937 C LYS A 60 -3.625 19.792 0.055 1.00 41.24 C ATOM 938 O LYS A 60 -3.478 19.006 0.991 1.00 22.22 O ATOM 939 CB LYS A 60 -5.943 20.723 0.185 1.00 75.42 C ATOM 940 CG LYS A 60 -6.832 21.922 -0.097 1.00 41.34 C ATOM 941 CD LYS A 60 -8.304 21.570 0.039 1.00 60.34 C ATOM 942 CE LYS A 60 -8.809 20.812 -1.180 1.00 4.52 C ATOM 943 NZ LYS A 60 -9.440 19.516 -0.805 1.00 64.02 N ATOM 0 H LYS A 60 -4.820 22.109 -1.554 1.00 35.52 H new ATOM 0 HA LYS A 60 -4.211 21.505 1.192 1.00 52.53 H new ATOM 0 HB2 LYS A 60 -6.114 19.966 -0.580 1.00 75.42 H new ATOM 0 HB3 LYS A 60 -6.233 20.283 1.139 1.00 75.42 H new ATOM 0 HG2 LYS A 60 -6.585 22.729 0.593 1.00 41.34 H new ATOM 0 HG3 LYS A 60 -6.637 22.292 -1.104 1.00 41.34 H new ATOM 0 HD2 LYS A 60 -8.454 20.965 0.933 1.00 60.34 H new ATOM 0 HD3 LYS A 60 -8.887 22.482 0.170 1.00 60.34 H new ATOM 0 HE2 LYS A 60 -9.532 21.427 -1.716 1.00 4.52 H new ATOM 0 HE3 LYS A 60 -7.979 20.628 -1.863 1.00 4.52 H new ATOM 0 HZ1 LYS A 60 -8.981 18.742 -1.327 1.00 64.02 H new ATOM 0 HZ2 LYS A 60 -9.328 19.358 0.217 1.00 64.02 H new ATOM 0 HZ3 LYS A 60 -10.452 19.541 -1.043 1.00 64.02 H new ATOM 957 N TYR A 61 -3.087 19.598 -1.144 1.00 14.05 N ATOM 958 CA TYR A 61 -2.275 18.421 -1.436 1.00 71.14 C ATOM 959 C TYR A 61 -0.831 18.816 -1.728 1.00 30.13 C ATOM 960 O TYR A 61 -0.346 18.661 -2.849 1.00 60.54 O ATOM 961 CB TYR A 61 -2.858 17.659 -2.627 1.00 71.25 C ATOM 962 CG TYR A 61 -4.366 17.737 -2.718 1.00 2.03 C ATOM 963 CD1 TYR A 61 -5.169 16.811 -2.064 1.00 2.40 C ATOM 964 CD2 TYR A 61 -4.986 18.736 -3.458 1.00 71.04 C ATOM 965 CE1 TYR A 61 -6.547 16.878 -2.145 1.00 73.23 C ATOM 966 CE2 TYR A 61 -6.362 18.811 -3.543 1.00 44.31 C ATOM 967 CZ TYR A 61 -7.138 17.880 -2.885 1.00 4.15 C ATOM 968 OH TYR A 61 -8.510 17.952 -2.968 1.00 1.43 O ATOM 0 H TYR A 61 -3.198 20.240 -1.929 1.00 14.05 H new ATOM 0 HA TYR A 61 -2.285 17.775 -0.558 1.00 71.14 H new ATOM 0 HB2 TYR A 61 -2.426 18.054 -3.547 1.00 71.25 H new ATOM 0 HB3 TYR A 61 -2.560 16.613 -2.559 1.00 71.25 H new ATOM 0 HD1 TYR A 61 -4.709 16.026 -1.483 1.00 2.40 H new ATOM 0 HD2 TYR A 61 -4.381 19.466 -3.975 1.00 71.04 H new ATOM 0 HE1 TYR A 61 -7.157 16.150 -1.632 1.00 73.23 H new ATOM 0 HE2 TYR A 61 -6.828 19.595 -4.122 1.00 44.31 H new ATOM 0 HH TYR A 61 -8.764 18.716 -3.527 1.00 1.43 H new ATOM 978 N THR A 62 -0.146 19.325 -0.708 1.00 71.44 N ATOM 979 CA THR A 62 1.243 19.741 -0.852 1.00 10.10 C ATOM 980 C THR A 62 2.191 18.711 -0.249 1.00 71.52 C ATOM 981 O THR A 62 2.981 18.088 -0.961 1.00 70.23 O ATOM 982 CB THR A 62 1.493 21.106 -0.183 1.00 54.41 C ATOM 983 OG1 THR A 62 0.244 21.735 0.127 1.00 54.14 O ATOM 984 CG2 THR A 62 2.312 22.012 -1.090 1.00 32.11 C ATOM 0 H THR A 62 -0.531 19.459 0.227 1.00 71.44 H new ATOM 0 HA THR A 62 1.438 19.828 -1.921 1.00 10.10 H new ATOM 0 HB THR A 62 2.053 20.938 0.737 1.00 54.41 H new ATOM 0 HG1 THR A 62 -0.291 21.820 -0.690 1.00 54.14 H new ATOM 0 HG21 THR A 62 2.475 22.970 -0.596 1.00 32.11 H new ATOM 0 HG22 THR A 62 3.273 21.543 -1.300 1.00 32.11 H new ATOM 0 HG23 THR A 62 1.775 22.173 -2.025 1.00 32.11 H new ATOM 992 N LEU A 63 2.108 18.535 1.065 1.00 70.40 N ATOM 993 CA LEU A 63 2.960 17.579 1.764 1.00 22.45 C ATOM 994 C LEU A 63 2.167 16.341 2.172 1.00 21.32 C ATOM 995 O LEU A 63 2.710 15.413 2.769 1.00 24.35 O ATOM 996 CB LEU A 63 3.583 18.230 3.000 1.00 14.53 C ATOM 997 CG LEU A 63 2.785 18.105 4.298 1.00 33.33 C ATOM 998 CD1 LEU A 63 3.322 16.963 5.147 1.00 44.54 C ATOM 999 CD2 LEU A 63 2.824 19.413 5.075 1.00 34.14 C ATOM 0 H LEU A 63 1.460 19.042 1.668 1.00 70.40 H new ATOM 0 HA LEU A 63 3.754 17.272 1.084 1.00 22.45 H new ATOM 0 HB2 LEU A 63 4.568 17.792 3.159 1.00 14.53 H new ATOM 0 HB3 LEU A 63 3.735 19.289 2.791 1.00 14.53 H new ATOM 0 HG LEU A 63 1.748 17.886 4.045 1.00 33.33 H new ATOM 0 HD11 LEU A 63 2.742 16.889 6.067 1.00 44.54 H new ATOM 0 HD12 LEU A 63 3.242 16.028 4.592 1.00 44.54 H new ATOM 0 HD13 LEU A 63 4.367 17.152 5.392 1.00 44.54 H new ATOM 0 HD21 LEU A 63 2.251 19.306 5.996 1.00 34.14 H new ATOM 0 HD22 LEU A 63 3.857 19.662 5.317 1.00 34.14 H new ATOM 0 HD23 LEU A 63 2.392 20.209 4.469 1.00 34.14 H new ATOM 1011 N TRP A 64 0.880 16.336 1.844 1.00 4.53 N ATOM 1012 CA TRP A 64 0.012 15.210 2.175 1.00 50.12 C ATOM 1013 C TRP A 64 0.620 13.896 1.699 1.00 52.11 C ATOM 1014 O TRP A 64 0.333 12.833 2.249 1.00 52.14 O ATOM 1015 CB TRP A 64 -1.370 15.404 1.548 1.00 45.11 C ATOM 1016 CG TRP A 64 -1.531 14.698 0.237 1.00 5.32 C ATOM 1017 CD1 TRP A 64 -2.361 13.649 -0.033 1.00 25.31 C ATOM 1018 CD2 TRP A 64 -0.842 14.991 -0.985 1.00 40.31 C ATOM 1019 NE1 TRP A 64 -2.231 13.271 -1.348 1.00 23.33 N ATOM 1020 CE2 TRP A 64 -1.305 14.079 -1.953 1.00 24.22 C ATOM 1021 CE3 TRP A 64 0.119 15.936 -1.355 1.00 53.41 C ATOM 1022 CZ2 TRP A 64 -0.838 14.085 -3.265 1.00 70.32 C ATOM 1023 CZ3 TRP A 64 0.582 15.941 -2.656 1.00 55.11 C ATOM 1024 CH2 TRP A 64 0.103 15.021 -3.599 1.00 13.15 C ATOM 0 H TRP A 64 0.414 17.097 1.350 1.00 4.53 H new ATOM 0 HA TRP A 64 -0.091 15.169 3.259 1.00 50.12 H new ATOM 0 HB2 TRP A 64 -2.130 15.044 2.242 1.00 45.11 H new ATOM 0 HB3 TRP A 64 -1.549 16.469 1.403 1.00 45.11 H new ATOM 0 HD1 TRP A 64 -3.023 13.184 0.682 1.00 25.31 H new ATOM 0 HE1 TRP A 64 -2.741 12.512 -1.800 1.00 23.33 H new ATOM 0 HE3 TRP A 64 0.493 16.650 -0.636 1.00 53.41 H new ATOM 0 HZ2 TRP A 64 -1.205 13.377 -3.993 1.00 70.32 H new ATOM 0 HZ3 TRP A 64 1.326 16.666 -2.952 1.00 55.11 H new ATOM 0 HH2 TRP A 64 0.484 15.051 -4.609 1.00 13.15 H new ATOM 1035 N PHE A 65 1.461 13.975 0.673 1.00 21.42 N ATOM 1036 CA PHE A 65 2.110 12.790 0.123 1.00 54.41 C ATOM 1037 C PHE A 65 3.629 12.923 0.184 1.00 55.14 C ATOM 1038 O PHE A 65 4.347 11.927 0.262 1.00 43.01 O ATOM 1039 CB PHE A 65 1.664 12.565 -1.323 1.00 0.51 C ATOM 1040 CG PHE A 65 0.725 11.404 -1.486 1.00 35.13 C ATOM 1041 CD1 PHE A 65 -0.248 11.143 -0.535 1.00 1.23 C ATOM 1042 CD2 PHE A 65 0.817 10.571 -2.591 1.00 72.04 C ATOM 1043 CE1 PHE A 65 -1.115 10.076 -0.683 1.00 74.41 C ATOM 1044 CE2 PHE A 65 -0.046 9.503 -2.744 1.00 63.43 C ATOM 1045 CZ PHE A 65 -1.012 9.254 -1.788 1.00 12.20 C ATOM 0 H PHE A 65 1.709 14.847 0.206 1.00 21.42 H new ATOM 0 HA PHE A 65 1.814 11.931 0.726 1.00 54.41 H new ATOM 0 HB2 PHE A 65 1.178 13.469 -1.690 1.00 0.51 H new ATOM 0 HB3 PHE A 65 2.544 12.401 -1.945 1.00 0.51 H new ATOM 0 HD1 PHE A 65 -0.330 11.781 0.333 1.00 1.23 H new ATOM 0 HD2 PHE A 65 1.572 10.759 -3.340 1.00 72.04 H new ATOM 0 HE1 PHE A 65 -1.871 9.886 0.064 1.00 74.41 H new ATOM 0 HE2 PHE A 65 0.034 8.863 -3.610 1.00 63.43 H new ATOM 0 HZ PHE A 65 -1.685 8.418 -1.905 1.00 12.20 H new ATOM 1055 N MET A 66 4.110 14.162 0.147 1.00 21.31 N ATOM 1056 CA MET A 66 5.544 14.425 0.199 1.00 54.24 C ATOM 1057 C MET A 66 6.179 13.742 1.404 1.00 62.12 C ATOM 1058 O MET A 66 7.281 13.200 1.315 1.00 43.23 O ATOM 1059 CB MET A 66 5.805 15.932 0.256 1.00 0.42 C ATOM 1060 CG MET A 66 7.104 16.350 -0.411 1.00 60.21 C ATOM 1061 SD MET A 66 8.147 17.352 0.665 1.00 74.33 S ATOM 1062 CE MET A 66 8.874 16.089 1.705 1.00 12.21 C ATOM 0 H MET A 66 3.529 14.998 0.081 1.00 21.31 H new ATOM 0 HA MET A 66 5.996 14.018 -0.706 1.00 54.24 H new ATOM 0 HB2 MET A 66 4.976 16.454 -0.222 1.00 0.42 H new ATOM 0 HB3 MET A 66 5.823 16.250 1.298 1.00 0.42 H new ATOM 0 HG2 MET A 66 7.654 15.460 -0.717 1.00 60.21 H new ATOM 0 HG3 MET A 66 6.878 16.912 -1.317 1.00 60.21 H new ATOM 0 HE1 MET A 66 8.700 16.336 2.752 1.00 12.21 H new ATOM 0 HE2 MET A 66 8.418 15.125 1.479 1.00 12.21 H new ATOM 0 HE3 MET A 66 9.946 16.036 1.518 1.00 12.21 H new ATOM 1072 N THR A 67 5.478 13.771 2.533 1.00 35.53 N ATOM 1073 CA THR A 67 5.974 13.154 3.758 1.00 25.30 C ATOM 1074 C THR A 67 4.927 12.235 4.375 1.00 54.02 C ATOM 1075 O THR A 67 5.028 11.858 5.541 1.00 4.44 O ATOM 1076 CB THR A 67 6.384 14.216 4.795 1.00 34.44 C ATOM 1077 OG1 THR A 67 7.039 15.311 4.143 1.00 54.41 O ATOM 1078 CG2 THR A 67 7.309 13.619 5.845 1.00 3.14 C ATOM 0 H THR A 67 4.564 14.215 2.625 1.00 35.53 H new ATOM 0 HA THR A 67 6.850 12.567 3.483 1.00 25.30 H new ATOM 0 HB THR A 67 5.482 14.575 5.290 1.00 34.44 H new ATOM 0 HG1 THR A 67 7.295 15.983 4.809 1.00 54.41 H new ATOM 0 HG21 THR A 67 7.585 14.388 6.566 1.00 3.14 H new ATOM 0 HG22 THR A 67 6.798 12.805 6.360 1.00 3.14 H new ATOM 0 HG23 THR A 67 8.208 13.235 5.362 1.00 3.14 H new ATOM 1086 N ASN A 68 3.921 11.878 3.584 1.00 30.33 N ATOM 1087 CA ASN A 68 2.853 11.001 4.054 1.00 74.32 C ATOM 1088 C ASN A 68 2.227 11.545 5.335 1.00 52.13 C ATOM 1089 O ASN A 68 1.988 10.799 6.285 1.00 64.53 O ATOM 1090 CB ASN A 68 3.393 9.590 4.295 1.00 33.53 C ATOM 1091 CG ASN A 68 4.430 9.184 3.267 1.00 60.54 C ATOM 1092 OD1 ASN A 68 4.186 9.254 2.062 1.00 41.20 O ATOM 1093 ND2 ASN A 68 5.595 8.755 3.738 1.00 22.32 N ATOM 0 H ASN A 68 3.822 12.182 2.615 1.00 30.33 H new ATOM 0 HA ASN A 68 2.083 10.961 3.283 1.00 74.32 H new ATOM 0 HB2 ASN A 68 3.833 9.538 5.291 1.00 33.53 H new ATOM 0 HB3 ASN A 68 2.567 8.879 4.274 1.00 33.53 H new ATOM 0 HD21 ASN A 68 6.331 8.467 3.093 1.00 22.32 H new ATOM 0 HD22 ASN A 68 5.754 8.713 4.745 1.00 22.32 H new ATOM 1100 N GLN A 69 1.966 12.848 5.352 1.00 44.34 N ATOM 1101 CA GLN A 69 1.368 13.491 6.516 1.00 22.34 C ATOM 1102 C GLN A 69 0.294 14.489 6.097 1.00 11.24 C ATOM 1103 O GLN A 69 0.595 15.531 5.514 1.00 12.43 O ATOM 1104 CB GLN A 69 2.443 14.199 7.343 1.00 24.40 C ATOM 1105 CG GLN A 69 1.903 14.877 8.592 1.00 53.41 C ATOM 1106 CD GLN A 69 1.754 13.919 9.758 1.00 3.24 C ATOM 1107 OE1 GLN A 69 2.739 13.369 10.253 1.00 30.13 O ATOM 1108 NE2 GLN A 69 0.521 13.714 10.203 1.00 3.22 N ATOM 0 H GLN A 69 2.159 13.479 4.574 1.00 44.34 H new ATOM 0 HA GLN A 69 0.901 12.717 7.125 1.00 22.34 H new ATOM 0 HB2 GLN A 69 3.203 13.473 7.633 1.00 24.40 H new ATOM 0 HB3 GLN A 69 2.936 14.945 6.720 1.00 24.40 H new ATOM 0 HG2 GLN A 69 2.571 15.690 8.877 1.00 53.41 H new ATOM 0 HG3 GLN A 69 0.935 15.324 8.368 1.00 53.41 H new ATOM 0 HE21 GLN A 69 -0.266 14.191 9.763 1.00 3.22 H new ATOM 0 HE22 GLN A 69 0.360 13.080 10.985 1.00 3.22 H new ATOM 1117 N ILE A 70 -0.959 14.162 6.395 1.00 53.02 N ATOM 1118 CA ILE A 70 -2.078 15.030 6.048 1.00 1.12 C ATOM 1119 C ILE A 70 -2.251 16.142 7.078 1.00 5.32 C ATOM 1120 O ILE A 70 -2.353 15.881 8.276 1.00 35.42 O ATOM 1121 CB ILE A 70 -3.393 14.237 5.939 1.00 22.12 C ATOM 1122 CG1 ILE A 70 -3.654 13.460 7.231 1.00 23.30 C ATOM 1123 CG2 ILE A 70 -3.346 13.293 4.747 1.00 74.23 C ATOM 1124 CD1 ILE A 70 -4.879 13.932 7.983 1.00 41.24 C ATOM 0 H ILE A 70 -1.225 13.303 6.876 1.00 53.02 H new ATOM 0 HA ILE A 70 -1.847 15.470 5.078 1.00 1.12 H new ATOM 0 HB ILE A 70 -4.212 14.940 5.788 1.00 22.12 H new ATOM 0 HG12 ILE A 70 -3.769 12.403 6.993 1.00 23.30 H new ATOM 0 HG13 ILE A 70 -2.783 13.547 7.880 1.00 23.30 H new ATOM 0 HG21 ILE A 70 -4.283 12.740 4.684 1.00 74.23 H new ATOM 0 HG22 ILE A 70 -3.202 13.868 3.833 1.00 74.23 H new ATOM 0 HG23 ILE A 70 -2.519 12.593 4.869 1.00 74.23 H new ATOM 0 HD11 ILE A 70 -5.002 13.337 8.888 1.00 41.24 H new ATOM 0 HD12 ILE A 70 -4.759 14.981 8.253 1.00 41.24 H new ATOM 0 HD13 ILE A 70 -5.760 13.819 7.351 1.00 41.24 H new ATOM 1136 N ALA A 71 -2.283 17.382 6.601 1.00 53.21 N ATOM 1137 CA ALA A 71 -2.447 18.533 7.481 1.00 71.32 C ATOM 1138 C ALA A 71 -3.794 19.211 7.251 1.00 23.44 C ATOM 1139 O ALA A 71 -3.887 20.266 6.625 1.00 55.01 O ATOM 1140 CB ALA A 71 -1.313 19.524 7.269 1.00 72.44 C ATOM 0 H ALA A 71 -2.198 17.615 5.612 1.00 53.21 H new ATOM 0 HA ALA A 71 -2.418 18.179 8.512 1.00 71.32 H new ATOM 0 HB1 ALA A 71 -1.448 20.378 7.932 1.00 72.44 H new ATOM 0 HB2 ALA A 71 -0.361 19.040 7.489 1.00 72.44 H new ATOM 0 HB3 ALA A 71 -1.316 19.864 6.234 1.00 72.44 H new ATOM 1146 N PRO A 72 -4.866 18.590 7.769 1.00 32.32 N ATOM 1147 CA PRO A 72 -6.226 19.117 7.633 1.00 40.23 C ATOM 1148 C PRO A 72 -6.444 20.384 8.451 1.00 33.14 C ATOM 1149 O PRO A 72 -7.338 21.177 8.160 1.00 11.03 O ATOM 1150 CB PRO A 72 -7.102 17.980 8.167 1.00 14.40 C ATOM 1151 CG PRO A 72 -6.216 17.227 9.099 1.00 21.53 C ATOM 1152 CD PRO A 72 -4.829 17.329 8.526 1.00 55.43 C ATOM 0 HA PRO A 72 -6.450 19.401 6.605 1.00 40.23 H new ATOM 0 HB2 PRO A 72 -7.982 18.366 8.682 1.00 14.40 H new ATOM 0 HB3 PRO A 72 -7.460 17.342 7.359 1.00 14.40 H new ATOM 0 HG2 PRO A 72 -6.256 17.650 10.103 1.00 21.53 H new ATOM 0 HG3 PRO A 72 -6.529 16.186 9.180 1.00 21.53 H new ATOM 0 HD2 PRO A 72 -4.071 17.352 9.309 1.00 55.43 H new ATOM 0 HD3 PRO A 72 -4.596 16.480 7.883 1.00 55.43 H new ATOM 1160 N GLU A 73 -5.618 20.569 9.477 1.00 23.32 N ATOM 1161 CA GLU A 73 -5.721 21.742 10.338 1.00 5.13 C ATOM 1162 C GLU A 73 -5.508 23.024 9.538 1.00 20.24 C ATOM 1163 O GLU A 73 -5.981 24.094 9.923 1.00 42.23 O ATOM 1164 CB GLU A 73 -4.697 21.660 11.473 1.00 31.42 C ATOM 1165 CG GLU A 73 -4.694 20.323 12.194 1.00 1.34 C ATOM 1166 CD GLU A 73 -3.533 19.440 11.779 1.00 12.40 C ATOM 1167 OE1 GLU A 73 -3.295 19.306 10.560 1.00 50.44 O ATOM 1168 OE2 GLU A 73 -2.863 18.882 12.673 1.00 62.13 O ATOM 0 H GLU A 73 -4.871 19.923 9.732 1.00 23.32 H new ATOM 0 HA GLU A 73 -6.724 21.762 10.764 1.00 5.13 H new ATOM 0 HB2 GLU A 73 -3.702 21.847 11.068 1.00 31.42 H new ATOM 0 HB3 GLU A 73 -4.902 22.452 12.194 1.00 31.42 H new ATOM 0 HG2 GLU A 73 -4.649 20.494 13.270 1.00 1.34 H new ATOM 0 HG3 GLU A 73 -5.631 19.804 11.993 1.00 1.34 H new ATOM 1175 N SER A 74 -4.795 22.908 8.423 1.00 3.44 N ATOM 1176 CA SER A 74 -4.515 24.058 7.571 1.00 51.31 C ATOM 1177 C SER A 74 -5.187 23.901 6.210 1.00 0.10 C ATOM 1178 O SER A 74 -4.928 24.669 5.285 1.00 72.23 O ATOM 1179 CB SER A 74 -3.005 24.231 7.390 1.00 74.54 C ATOM 1180 OG SER A 74 -2.486 25.169 8.316 1.00 24.41 O ATOM 0 H SER A 74 -4.400 22.029 8.088 1.00 3.44 H new ATOM 0 HA SER A 74 -4.919 24.946 8.057 1.00 51.31 H new ATOM 0 HB2 SER A 74 -2.507 23.270 7.522 1.00 74.54 H new ATOM 0 HB3 SER A 74 -2.793 24.563 6.374 1.00 74.54 H new ATOM 0 HG SER A 74 -1.813 25.728 7.873 1.00 24.41 H new ATOM 1186 N GLY A 75 -6.053 22.897 6.096 1.00 44.22 N ATOM 1187 CA GLY A 75 -6.748 22.657 4.845 1.00 41.33 C ATOM 1188 C GLY A 75 -5.944 21.798 3.890 1.00 61.32 C ATOM 1189 O GLY A 75 -5.805 22.131 2.714 1.00 21.02 O ATOM 0 H GLY A 75 -6.285 22.247 6.847 1.00 44.22 H new ATOM 0 HA2 GLY A 75 -7.702 22.171 5.050 1.00 41.33 H new ATOM 0 HA3 GLY A 75 -6.973 23.611 4.369 1.00 41.33 H new ATOM 1193 N GLN A 76 -5.411 20.691 4.397 1.00 43.44 N ATOM 1194 CA GLN A 76 -4.613 19.783 3.581 1.00 71.34 C ATOM 1195 C GLN A 76 -4.961 18.330 3.884 1.00 22.20 C ATOM 1196 O GLN A 76 -4.757 17.853 5.001 1.00 15.14 O ATOM 1197 CB GLN A 76 -3.122 20.024 3.821 1.00 1.44 C ATOM 1198 CG GLN A 76 -2.753 21.496 3.924 1.00 0.22 C ATOM 1199 CD GLN A 76 -1.268 21.739 3.737 1.00 70.30 C ATOM 1200 OE1 GLN A 76 -0.626 22.392 4.560 1.00 4.14 O ATOM 1201 NE2 GLN A 76 -0.714 21.213 2.650 1.00 55.24 N ATOM 0 H GLN A 76 -5.517 20.401 5.369 1.00 43.44 H new ATOM 0 HA GLN A 76 -4.841 19.981 2.534 1.00 71.34 H new ATOM 0 HB2 GLN A 76 -2.824 19.518 4.739 1.00 1.44 H new ATOM 0 HB3 GLN A 76 -2.554 19.571 3.008 1.00 1.44 H new ATOM 0 HG2 GLN A 76 -3.307 22.059 3.173 1.00 0.22 H new ATOM 0 HG3 GLN A 76 -3.060 21.876 4.898 1.00 0.22 H new ATOM 0 HE21 GLN A 76 -1.284 20.679 1.995 1.00 55.24 H new ATOM 0 HE22 GLN A 76 0.282 21.343 2.471 1.00 55.24 H new ATOM 1210 N ILE A 77 -5.487 17.631 2.884 1.00 35.21 N ATOM 1211 CA ILE A 77 -5.862 16.232 3.044 1.00 50.55 C ATOM 1212 C ILE A 77 -5.640 15.451 1.753 1.00 25.22 C ATOM 1213 O ILE A 77 -5.273 16.022 0.726 1.00 5.00 O ATOM 1214 CB ILE A 77 -7.336 16.089 3.470 1.00 45.42 C ATOM 1215 CG1 ILE A 77 -8.259 16.298 2.269 1.00 11.52 C ATOM 1216 CG2 ILE A 77 -7.665 17.079 4.578 1.00 62.31 C ATOM 1217 CD1 ILE A 77 -8.104 17.654 1.616 1.00 65.21 C ATOM 0 H ILE A 77 -5.663 18.011 1.954 1.00 35.21 H new ATOM 0 HA ILE A 77 -5.224 15.823 3.827 1.00 50.55 H new ATOM 0 HB ILE A 77 -7.493 15.080 3.853 1.00 45.42 H new ATOM 0 HG12 ILE A 77 -8.060 15.523 1.529 1.00 11.52 H new ATOM 0 HG13 ILE A 77 -9.293 16.175 2.590 1.00 11.52 H new ATOM 0 HG21 ILE A 77 -8.710 16.966 4.868 1.00 62.31 H new ATOM 0 HG22 ILE A 77 -7.026 16.886 5.440 1.00 62.31 H new ATOM 0 HG23 ILE A 77 -7.496 18.095 4.221 1.00 62.31 H new ATOM 0 HD11 ILE A 77 -8.789 17.732 0.772 1.00 65.21 H new ATOM 0 HD12 ILE A 77 -8.331 18.435 2.341 1.00 65.21 H new ATOM 0 HD13 ILE A 77 -7.079 17.773 1.264 1.00 65.21 H new ATOM 1229 N ALA A 78 -5.867 14.143 1.812 1.00 44.32 N ATOM 1230 CA ALA A 78 -5.696 13.285 0.647 1.00 35.42 C ATOM 1231 C ALA A 78 -6.999 13.156 -0.136 1.00 61.12 C ATOM 1232 O ALA A 78 -8.088 13.075 0.433 1.00 40.31 O ATOM 1233 CB ALA A 78 -5.195 11.913 1.072 1.00 72.54 C ATOM 0 H ALA A 78 -6.170 13.655 2.655 1.00 44.32 H new ATOM 0 HA ALA A 78 -4.954 13.744 -0.007 1.00 35.42 H new ATOM 0 HB1 ALA A 78 -5.072 11.282 0.192 1.00 72.54 H new ATOM 0 HB2 ALA A 78 -4.237 12.017 1.581 1.00 72.54 H new ATOM 0 HB3 ALA A 78 -5.917 11.455 1.748 1.00 72.54 H new ATOM 1239 N PRO A 79 -6.888 13.136 -1.473 1.00 45.11 N ATOM 1240 CA PRO A 79 -8.048 13.017 -2.361 1.00 73.10 C ATOM 1241 C PRO A 79 -8.688 11.635 -2.297 1.00 74.34 C ATOM 1242 O PRO A 79 -8.359 10.828 -1.427 1.00 72.43 O ATOM 1243 CB PRO A 79 -7.456 13.268 -3.751 1.00 3.43 C ATOM 1244 CG PRO A 79 -6.022 12.885 -3.627 1.00 4.55 C ATOM 1245 CD PRO A 79 -5.622 13.228 -2.218 1.00 54.14 C ATOM 0 HA PRO A 79 -8.843 13.711 -2.089 1.00 73.10 H new ATOM 0 HB2 PRO A 79 -7.961 12.671 -4.510 1.00 3.43 H new ATOM 0 HB3 PRO A 79 -7.563 14.312 -4.044 1.00 3.43 H new ATOM 0 HG2 PRO A 79 -5.884 11.822 -3.824 1.00 4.55 H new ATOM 0 HG3 PRO A 79 -5.410 13.425 -4.349 1.00 4.55 H new ATOM 0 HD2 PRO A 79 -4.877 12.533 -1.831 1.00 54.14 H new ATOM 0 HD3 PRO A 79 -5.190 14.227 -2.155 1.00 54.14 H new ATOM 1253 N ALA A 80 -9.604 11.368 -3.222 1.00 1.11 N ATOM 1254 CA ALA A 80 -10.288 10.082 -3.271 1.00 34.34 C ATOM 1255 C ALA A 80 -9.439 9.035 -3.982 1.00 51.31 C ATOM 1256 O ALA A 80 -9.379 7.878 -3.561 1.00 70.35 O ATOM 1257 CB ALA A 80 -11.637 10.228 -3.961 1.00 63.50 C ATOM 0 H ALA A 80 -9.889 12.025 -3.948 1.00 1.11 H new ATOM 0 HA ALA A 80 -10.450 9.745 -2.247 1.00 34.34 H new ATOM 0 HB1 ALA A 80 -12.137 9.260 -3.991 1.00 63.50 H new ATOM 0 HB2 ALA A 80 -12.253 10.938 -3.409 1.00 63.50 H new ATOM 0 HB3 ALA A 80 -11.488 10.591 -4.978 1.00 63.50 H new ATOM 1263 N LEU A 81 -8.784 9.445 -5.063 1.00 5.22 N ATOM 1264 CA LEU A 81 -7.937 8.541 -5.834 1.00 2.43 C ATOM 1265 C LEU A 81 -6.668 8.193 -5.063 1.00 54.42 C ATOM 1266 O LEU A 81 -6.073 7.136 -5.272 1.00 41.41 O ATOM 1267 CB LEU A 81 -7.574 9.174 -7.178 1.00 34.21 C ATOM 1268 CG LEU A 81 -8.736 9.762 -7.978 1.00 32.21 C ATOM 1269 CD1 LEU A 81 -8.814 11.268 -7.778 1.00 11.43 C ATOM 1270 CD2 LEU A 81 -8.590 9.427 -9.456 1.00 41.44 C ATOM 0 H LEU A 81 -8.823 10.398 -5.425 1.00 5.22 H new ATOM 0 HA LEU A 81 -8.495 7.622 -6.011 1.00 2.43 H new ATOM 0 HB2 LEU A 81 -6.845 9.965 -7.000 1.00 34.21 H new ATOM 0 HB3 LEU A 81 -7.082 8.419 -7.791 1.00 34.21 H new ATOM 0 HG LEU A 81 -9.663 9.318 -7.614 1.00 32.21 H new ATOM 0 HD11 LEU A 81 -9.647 11.669 -8.355 1.00 11.43 H new ATOM 0 HD12 LEU A 81 -8.966 11.487 -6.721 1.00 11.43 H new ATOM 0 HD13 LEU A 81 -7.885 11.728 -8.114 1.00 11.43 H new ATOM 0 HD21 LEU A 81 -9.426 9.854 -10.010 1.00 41.44 H new ATOM 0 HD22 LEU A 81 -7.655 9.842 -9.833 1.00 41.44 H new ATOM 0 HD23 LEU A 81 -8.584 8.345 -9.585 1.00 41.44 H new ATOM 1282 N ALA A 82 -6.260 9.089 -4.170 1.00 61.40 N ATOM 1283 CA ALA A 82 -5.064 8.875 -3.364 1.00 42.42 C ATOM 1284 C ALA A 82 -5.098 7.511 -2.683 1.00 41.25 C ATOM 1285 O ALA A 82 -4.155 6.727 -2.795 1.00 1.31 O ATOM 1286 CB ALA A 82 -4.920 9.981 -2.329 1.00 60.33 C ATOM 0 H ALA A 82 -6.740 9.970 -3.986 1.00 61.40 H new ATOM 0 HA ALA A 82 -4.199 8.899 -4.027 1.00 42.42 H new ATOM 0 HB1 ALA A 82 -4.023 9.808 -1.734 1.00 60.33 H new ATOM 0 HB2 ALA A 82 -4.841 10.944 -2.834 1.00 60.33 H new ATOM 0 HB3 ALA A 82 -5.793 9.984 -1.676 1.00 60.33 H new ATOM 1292 N HIS A 83 -6.190 7.235 -1.977 1.00 52.44 N ATOM 1293 CA HIS A 83 -6.346 5.965 -1.276 1.00 62.14 C ATOM 1294 C HIS A 83 -5.297 5.817 -0.178 1.00 43.04 C ATOM 1295 O HIS A 83 -4.978 4.706 0.246 1.00 74.24 O ATOM 1296 CB HIS A 83 -6.238 4.799 -2.260 1.00 52.01 C ATOM 1297 CG HIS A 83 -7.513 4.029 -2.418 1.00 71.45 C ATOM 1298 ND1 HIS A 83 -7.851 2.961 -1.615 1.00 72.31 N ATOM 1299 CD2 HIS A 83 -8.534 4.179 -3.294 1.00 33.10 C ATOM 1300 CE1 HIS A 83 -9.025 2.486 -1.989 1.00 41.15 C ATOM 1301 NE2 HIS A 83 -9.462 3.207 -3.006 1.00 35.44 N ATOM 0 H HIS A 83 -6.979 7.873 -1.875 1.00 52.44 H new ATOM 0 HA HIS A 83 -7.333 5.952 -0.815 1.00 62.14 H new ATOM 0 HB2 HIS A 83 -5.932 5.183 -3.233 1.00 52.01 H new ATOM 0 HB3 HIS A 83 -5.453 4.122 -1.923 1.00 52.01 H new ATOM 0 HD2 HIS A 83 -8.606 4.923 -4.073 1.00 33.10 H new ATOM 0 HE1 HIS A 83 -9.540 1.650 -1.540 1.00 41.15 H new ATOM 0 HE2 HIS A 83 -10.344 3.065 -3.498 1.00 35.44 H new ATOM 1309 N PHE A 84 -4.763 6.945 0.278 1.00 61.54 N ATOM 1310 CA PHE A 84 -3.748 6.942 1.327 1.00 21.02 C ATOM 1311 C PHE A 84 -4.185 7.802 2.509 1.00 45.34 C ATOM 1312 O PHE A 84 -5.325 8.260 2.570 1.00 11.55 O ATOM 1313 CB PHE A 84 -2.414 7.450 0.776 1.00 72.42 C ATOM 1314 CG PHE A 84 -1.325 6.416 0.796 1.00 14.02 C ATOM 1315 CD1 PHE A 84 -0.504 6.278 1.904 1.00 43.32 C ATOM 1316 CD2 PHE A 84 -1.122 5.582 -0.291 1.00 20.34 C ATOM 1317 CE1 PHE A 84 0.501 5.328 1.925 1.00 15.34 C ATOM 1318 CE2 PHE A 84 -0.120 4.629 -0.276 1.00 14.32 C ATOM 1319 CZ PHE A 84 0.691 4.502 0.835 1.00 4.42 C ATOM 0 H PHE A 84 -5.016 7.873 -0.062 1.00 61.54 H new ATOM 0 HA PHE A 84 -3.622 5.916 1.674 1.00 21.02 H new ATOM 0 HB2 PHE A 84 -2.560 7.793 -0.248 1.00 72.42 H new ATOM 0 HB3 PHE A 84 -2.095 8.314 1.359 1.00 72.42 H new ATOM 0 HD1 PHE A 84 -0.651 6.919 2.760 1.00 43.32 H new ATOM 0 HD2 PHE A 84 -1.754 5.677 -1.161 1.00 20.34 H new ATOM 0 HE1 PHE A 84 1.136 5.232 2.793 1.00 15.34 H new ATOM 0 HE2 PHE A 84 0.028 3.986 -1.131 1.00 14.32 H new ATOM 0 HZ PHE A 84 1.473 3.757 0.851 1.00 4.42 H new ATOM 1573 N THR B 4 15.881 31.201 -5.219 1.00 72.34 N ATOM 1574 CA THR B 4 15.874 29.965 -5.993 1.00 42.42 C ATOM 1575 C THR B 4 15.609 28.758 -5.102 1.00 52.45 C ATOM 1576 O THR B 4 15.688 28.851 -3.875 1.00 62.33 O ATOM 1577 CB THR B 4 17.209 29.759 -6.734 1.00 14.31 C ATOM 1578 OG1 THR B 4 17.975 30.969 -6.711 1.00 24.44 O ATOM 1579 CG2 THR B 4 16.968 29.332 -8.174 1.00 44.11 C ATOM 0 HA THR B 4 15.071 30.055 -6.724 1.00 42.42 H new ATOM 0 HB THR B 4 17.763 28.970 -6.226 1.00 14.31 H new ATOM 0 HG1 THR B 4 17.597 31.583 -6.048 1.00 24.44 H new ATOM 0 HG21 THR B 4 17.925 29.193 -8.677 1.00 44.11 H new ATOM 0 HG22 THR B 4 16.411 28.395 -8.187 1.00 44.11 H new ATOM 0 HG23 THR B 4 16.395 30.102 -8.691 1.00 44.11 H new ATOM 1587 N ILE B 5 15.295 27.626 -5.723 1.00 72.43 N ATOM 1588 CA ILE B 5 15.020 26.401 -4.983 1.00 60.40 C ATOM 1589 C ILE B 5 16.139 26.093 -3.994 1.00 73.52 C ATOM 1590 O ILE B 5 15.886 25.820 -2.821 1.00 14.01 O ATOM 1591 CB ILE B 5 14.844 25.200 -5.932 1.00 41.35 C ATOM 1592 CG1 ILE B 5 13.733 25.481 -6.946 1.00 41.00 C ATOM 1593 CG2 ILE B 5 14.536 23.938 -5.138 1.00 64.43 C ATOM 1594 CD1 ILE B 5 14.108 25.128 -8.367 1.00 71.13 C ATOM 0 H ILE B 5 15.225 27.532 -6.736 1.00 72.43 H new ATOM 0 HA ILE B 5 14.091 26.563 -4.437 1.00 60.40 H new ATOM 0 HB ILE B 5 15.776 25.046 -6.476 1.00 41.35 H new ATOM 0 HG12 ILE B 5 12.843 24.918 -6.663 1.00 41.00 H new ATOM 0 HG13 ILE B 5 13.469 26.538 -6.900 1.00 41.00 H new ATOM 0 HG21 ILE B 5 14.414 23.098 -5.822 1.00 64.43 H new ATOM 0 HG22 ILE B 5 15.357 23.731 -4.451 1.00 64.43 H new ATOM 0 HG23 ILE B 5 13.616 24.080 -4.571 1.00 64.43 H new ATOM 0 HD11 ILE B 5 13.273 25.354 -9.030 1.00 71.13 H new ATOM 0 HD12 ILE B 5 14.979 25.710 -8.669 1.00 71.13 H new ATOM 0 HD13 ILE B 5 14.343 24.065 -8.428 1.00 71.13 H new ATOM 1606 N SER B 6 17.377 26.141 -4.475 1.00 1.32 N ATOM 1607 CA SER B 6 18.535 25.865 -3.633 1.00 35.53 C ATOM 1608 C SER B 6 18.495 26.708 -2.362 1.00 22.31 C ATOM 1609 O SER B 6 18.777 26.216 -1.270 1.00 0.21 O ATOM 1610 CB SER B 6 19.829 26.143 -4.402 1.00 41.32 C ATOM 1611 OG SER B 6 20.378 27.397 -4.039 1.00 21.35 O ATOM 0 H SER B 6 17.604 26.368 -5.443 1.00 1.32 H new ATOM 0 HA SER B 6 18.507 24.812 -3.352 1.00 35.53 H new ATOM 0 HB2 SER B 6 20.553 25.353 -4.200 1.00 41.32 H new ATOM 0 HB3 SER B 6 19.630 26.126 -5.474 1.00 41.32 H new ATOM 0 HG SER B 6 21.220 27.258 -3.557 1.00 21.35 H new ATOM 1617 N GLU B 7 18.143 27.981 -2.513 1.00 32.11 N ATOM 1618 CA GLU B 7 18.067 28.892 -1.378 1.00 62.35 C ATOM 1619 C GLU B 7 17.020 28.422 -0.372 1.00 42.41 C ATOM 1620 O GLU B 7 17.166 28.623 0.835 1.00 11.21 O ATOM 1621 CB GLU B 7 17.733 30.308 -1.853 1.00 23.21 C ATOM 1622 CG GLU B 7 18.858 30.968 -2.634 1.00 1.43 C ATOM 1623 CD GLU B 7 19.930 31.550 -1.734 1.00 1.34 C ATOM 1624 OE1 GLU B 7 19.674 32.598 -1.106 1.00 64.22 O ATOM 1625 OE2 GLU B 7 21.026 30.956 -1.658 1.00 2.32 O ATOM 0 H GLU B 7 17.906 28.404 -3.410 1.00 32.11 H new ATOM 0 HA GLU B 7 19.040 28.901 -0.887 1.00 62.35 H new ATOM 0 HB2 GLU B 7 16.841 30.272 -2.478 1.00 23.21 H new ATOM 0 HB3 GLU B 7 17.492 30.925 -0.988 1.00 23.21 H new ATOM 0 HG2 GLU B 7 19.309 30.235 -3.303 1.00 1.43 H new ATOM 0 HG3 GLU B 7 18.445 31.759 -3.260 1.00 1.43 H new ATOM 1632 N LYS B 8 15.962 27.796 -0.876 1.00 33.03 N ATOM 1633 CA LYS B 8 14.890 27.294 -0.025 1.00 74.20 C ATOM 1634 C LYS B 8 15.356 26.089 0.786 1.00 72.42 C ATOM 1635 O LYS B 8 14.661 25.635 1.695 1.00 55.43 O ATOM 1636 CB LYS B 8 13.673 26.914 -0.871 1.00 61.22 C ATOM 1637 CG LYS B 8 13.356 27.918 -1.966 1.00 10.12 C ATOM 1638 CD LYS B 8 11.903 27.832 -2.398 1.00 72.53 C ATOM 1639 CE LYS B 8 11.186 29.160 -2.214 1.00 74.45 C ATOM 1640 NZ LYS B 8 10.369 29.520 -3.406 1.00 44.13 N ATOM 0 H LYS B 8 15.824 27.624 -1.872 1.00 33.03 H new ATOM 0 HA LYS B 8 14.609 28.088 0.667 1.00 74.20 H new ATOM 0 HB2 LYS B 8 13.846 25.938 -1.324 1.00 61.22 H new ATOM 0 HB3 LYS B 8 12.805 26.814 -0.219 1.00 61.22 H new ATOM 0 HG2 LYS B 8 13.572 28.926 -1.610 1.00 10.12 H new ATOM 0 HG3 LYS B 8 14.003 27.738 -2.825 1.00 10.12 H new ATOM 0 HD2 LYS B 8 11.851 27.531 -3.444 1.00 72.53 H new ATOM 0 HD3 LYS B 8 11.396 27.060 -1.819 1.00 72.53 H new ATOM 0 HE2 LYS B 8 10.543 29.107 -1.336 1.00 74.45 H new ATOM 0 HE3 LYS B 8 11.918 29.945 -2.025 1.00 74.45 H new ATOM 0 HZ1 LYS B 8 9.896 30.432 -3.241 1.00 44.13 H new ATOM 0 HZ2 LYS B 8 10.986 29.596 -4.240 1.00 44.13 H new ATOM 0 HZ3 LYS B 8 9.653 28.784 -3.571 1.00 44.13 H new ATOM 1654 N ILE B 9 16.535 25.577 0.450 1.00 12.54 N ATOM 1655 CA ILE B 9 17.095 24.426 1.149 1.00 14.12 C ATOM 1656 C ILE B 9 18.334 24.817 1.947 1.00 2.44 C ATOM 1657 O ILE B 9 18.945 23.981 2.613 1.00 32.42 O ATOM 1658 CB ILE B 9 17.464 23.297 0.169 1.00 61.41 C ATOM 1659 CG1 ILE B 9 16.352 23.107 -0.865 1.00 2.42 C ATOM 1660 CG2 ILE B 9 17.720 22.003 0.925 1.00 21.54 C ATOM 1661 CD1 ILE B 9 16.649 22.023 -1.878 1.00 4.43 C ATOM 0 H ILE B 9 17.121 25.940 -0.302 1.00 12.54 H new ATOM 0 HA ILE B 9 16.325 24.066 1.831 1.00 14.12 H new ATOM 0 HB ILE B 9 18.378 23.574 -0.356 1.00 61.41 H new ATOM 0 HG12 ILE B 9 15.423 22.866 -0.348 1.00 2.42 H new ATOM 0 HG13 ILE B 9 16.189 24.049 -1.389 1.00 2.42 H new ATOM 0 HG21 ILE B 9 17.980 21.214 0.219 1.00 21.54 H new ATOM 0 HG22 ILE B 9 18.542 22.148 1.626 1.00 21.54 H new ATOM 0 HG23 ILE B 9 16.822 21.718 1.473 1.00 21.54 H new ATOM 0 HD11 ILE B 9 15.819 21.943 -2.580 1.00 4.43 H new ATOM 0 HD12 ILE B 9 17.560 22.273 -2.421 1.00 4.43 H new ATOM 0 HD13 ILE B 9 16.782 21.071 -1.364 1.00 4.43 H new ATOM 1673 N VAL B 10 18.699 26.093 1.876 1.00 31.43 N ATOM 1674 CA VAL B 10 19.864 26.596 2.595 1.00 4.14 C ATOM 1675 C VAL B 10 19.451 27.352 3.853 1.00 20.24 C ATOM 1676 O VAL B 10 19.944 27.076 4.947 1.00 25.00 O ATOM 1677 CB VAL B 10 20.713 27.525 1.707 1.00 14.00 C ATOM 1678 CG1 VAL B 10 21.969 27.966 2.443 1.00 0.51 C ATOM 1679 CG2 VAL B 10 21.067 26.834 0.399 1.00 13.31 C ATOM 0 H VAL B 10 18.205 26.797 1.328 1.00 31.43 H new ATOM 0 HA VAL B 10 20.461 25.728 2.876 1.00 4.14 H new ATOM 0 HB VAL B 10 20.126 28.413 1.475 1.00 14.00 H new ATOM 0 HG11 VAL B 10 22.556 28.622 1.800 1.00 0.51 H new ATOM 0 HG12 VAL B 10 21.690 28.502 3.350 1.00 0.51 H new ATOM 0 HG13 VAL B 10 22.562 27.091 2.707 1.00 0.51 H new ATOM 0 HG21 VAL B 10 21.667 27.505 -0.216 1.00 13.31 H new ATOM 0 HG22 VAL B 10 21.635 25.928 0.608 1.00 13.31 H new ATOM 0 HG23 VAL B 10 20.153 26.574 -0.134 1.00 13.31 H new ATOM 1689 N LEU B 11 18.541 28.306 3.690 1.00 4.44 N ATOM 1690 CA LEU B 11 18.058 29.103 4.813 1.00 2.34 C ATOM 1691 C LEU B 11 17.591 28.207 5.955 1.00 45.43 C ATOM 1692 O LEU B 11 17.962 28.414 7.110 1.00 75.44 O ATOM 1693 CB LEU B 11 16.915 30.014 4.363 1.00 4.21 C ATOM 1694 CG LEU B 11 15.838 29.362 3.497 1.00 62.10 C ATOM 1695 CD1 LEU B 11 14.648 28.945 4.348 1.00 1.11 C ATOM 1696 CD2 LEU B 11 15.398 30.307 2.388 1.00 42.24 C ATOM 0 H LEU B 11 18.123 28.547 2.791 1.00 4.44 H new ATOM 0 HA LEU B 11 18.883 29.718 5.173 1.00 2.34 H new ATOM 0 HB2 LEU B 11 16.437 30.429 5.250 1.00 4.21 H new ATOM 0 HB3 LEU B 11 17.341 30.851 3.809 1.00 4.21 H new ATOM 0 HG LEU B 11 16.261 28.469 3.038 1.00 62.10 H new ATOM 0 HD11 LEU B 11 13.891 28.483 3.714 1.00 1.11 H new ATOM 0 HD12 LEU B 11 14.974 28.231 5.104 1.00 1.11 H new ATOM 0 HD13 LEU B 11 14.225 29.823 4.837 1.00 1.11 H new ATOM 0 HD21 LEU B 11 14.631 29.825 1.782 1.00 42.24 H new ATOM 0 HD22 LEU B 11 14.994 31.219 2.826 1.00 42.24 H new ATOM 0 HD23 LEU B 11 16.254 30.555 1.760 1.00 42.24 H new ATOM 1708 N MET B 12 16.777 27.210 5.624 1.00 15.32 N ATOM 1709 CA MET B 12 16.263 26.281 6.623 1.00 4.44 C ATOM 1710 C MET B 12 17.365 25.350 7.119 1.00 75.53 C ATOM 1711 O MET B 12 17.372 24.947 8.282 1.00 31.24 O ATOM 1712 CB MET B 12 15.110 25.460 6.040 1.00 24.25 C ATOM 1713 CG MET B 12 15.425 24.847 4.685 1.00 13.14 C ATOM 1714 SD MET B 12 14.618 23.253 4.439 1.00 25.25 S ATOM 1715 CE MET B 12 16.033 22.206 4.106 1.00 64.33 C ATOM 0 H MET B 12 16.459 27.025 4.672 1.00 15.32 H new ATOM 0 HA MET B 12 15.896 26.862 7.469 1.00 4.44 H new ATOM 0 HB2 MET B 12 14.852 24.664 6.739 1.00 24.25 H new ATOM 0 HB3 MET B 12 14.232 26.098 5.946 1.00 24.25 H new ATOM 0 HG2 MET B 12 15.112 25.534 3.898 1.00 13.14 H new ATOM 0 HG3 MET B 12 16.504 24.722 4.589 1.00 13.14 H new ATOM 0 HE1 MET B 12 15.714 21.335 3.533 1.00 64.33 H new ATOM 0 HE2 MET B 12 16.773 22.766 3.534 1.00 64.33 H new ATOM 0 HE3 MET B 12 16.474 21.879 5.048 1.00 64.33 H new ATOM 1725 N ARG B 13 18.293 25.014 6.230 1.00 31.24 N ATOM 1726 CA ARG B 13 19.399 24.130 6.578 1.00 74.51 C ATOM 1727 C ARG B 13 20.255 24.739 7.684 1.00 20.12 C ATOM 1728 O ARG B 13 20.529 24.097 8.699 1.00 41.34 O ATOM 1729 CB ARG B 13 20.263 23.849 5.347 1.00 32.34 C ATOM 1730 CG ARG B 13 21.560 23.124 5.665 1.00 45.45 C ATOM 1731 CD ARG B 13 22.275 22.679 4.399 1.00 63.05 C ATOM 1732 NE ARG B 13 23.705 22.972 4.447 1.00 42.01 N ATOM 1733 CZ ARG B 13 24.207 24.199 4.377 1.00 41.31 C ATOM 1734 NH1 ARG B 13 23.399 25.244 4.259 1.00 23.35 N ATOM 1735 NH2 ARG B 13 25.520 24.385 4.429 1.00 12.23 N ATOM 0 H ARG B 13 18.301 25.340 5.264 1.00 31.24 H new ATOM 0 HA ARG B 13 18.980 23.192 6.941 1.00 74.51 H new ATOM 0 HB2 ARG B 13 19.688 23.253 4.639 1.00 32.34 H new ATOM 0 HB3 ARG B 13 20.496 24.793 4.854 1.00 32.34 H new ATOM 0 HG2 ARG B 13 22.213 23.780 6.241 1.00 45.45 H new ATOM 0 HG3 ARG B 13 21.349 22.256 6.289 1.00 45.45 H new ATOM 0 HD2 ARG B 13 22.129 21.608 4.257 1.00 63.05 H new ATOM 0 HD3 ARG B 13 21.831 23.178 3.537 1.00 63.05 H new ATOM 0 HE ARG B 13 24.354 22.191 4.539 1.00 42.01 H new ATOM 0 HH11 ARG B 13 22.389 25.106 4.222 1.00 23.35 H new ATOM 0 HH12 ARG B 13 23.788 26.186 4.205 1.00 23.35 H new ATOM 0 HH21 ARG B 13 26.145 23.585 4.523 1.00 12.23 H new ATOM 0 HH22 ARG B 13 25.904 25.328 4.375 1.00 12.23 H new ATOM 1749 N LYS B 14 20.675 25.983 7.482 1.00 12.22 N ATOM 1750 CA LYS B 14 21.499 26.681 8.462 1.00 65.30 C ATOM 1751 C LYS B 14 20.753 26.849 9.781 1.00 55.42 C ATOM 1752 O LYS B 14 21.365 27.040 10.831 1.00 72.04 O ATOM 1753 CB LYS B 14 21.918 28.052 7.922 1.00 13.55 C ATOM 1754 CG LYS B 14 23.263 28.042 7.216 1.00 13.50 C ATOM 1755 CD LYS B 14 23.100 28.120 5.707 1.00 31.23 C ATOM 1756 CE LYS B 14 22.515 29.458 5.277 1.00 22.12 C ATOM 1757 NZ LYS B 14 23.425 30.189 4.353 1.00 72.34 N ATOM 0 H LYS B 14 20.458 26.529 6.648 1.00 12.22 H new ATOM 0 HA LYS B 14 22.390 26.080 8.644 1.00 65.30 H new ATOM 0 HB2 LYS B 14 21.156 28.409 7.229 1.00 13.55 H new ATOM 0 HB3 LYS B 14 21.956 28.762 8.748 1.00 13.55 H new ATOM 0 HG2 LYS B 14 23.863 28.883 7.562 1.00 13.50 H new ATOM 0 HG3 LYS B 14 23.806 27.134 7.478 1.00 13.50 H new ATOM 0 HD2 LYS B 14 24.068 27.974 5.228 1.00 31.23 H new ATOM 0 HD3 LYS B 14 22.451 27.312 5.368 1.00 31.23 H new ATOM 0 HE2 LYS B 14 21.555 29.294 4.787 1.00 22.12 H new ATOM 0 HE3 LYS B 14 22.323 30.071 6.158 1.00 22.12 H new ATOM 0 HZ1 LYS B 14 22.894 30.936 3.861 1.00 72.34 H new ATOM 0 HZ2 LYS B 14 24.201 30.617 4.897 1.00 72.34 H new ATOM 0 HZ3 LYS B 14 23.817 29.525 3.654 1.00 72.34 H new ATOM 1771 N SER B 15 19.427 26.776 9.718 1.00 70.12 N ATOM 1772 CA SER B 15 18.596 26.921 10.908 1.00 60.13 C ATOM 1773 C SER B 15 18.884 25.808 11.911 1.00 64.13 C ATOM 1774 O SER B 15 18.821 26.019 13.122 1.00 73.31 O ATOM 1775 CB SER B 15 17.115 26.910 10.527 1.00 63.31 C ATOM 1776 OG SER B 15 16.360 27.745 11.386 1.00 42.11 O ATOM 0 H SER B 15 18.905 26.617 8.856 1.00 70.12 H new ATOM 0 HA SER B 15 18.836 27.877 11.374 1.00 60.13 H new ATOM 0 HB2 SER B 15 16.999 27.245 9.496 1.00 63.31 H new ATOM 0 HB3 SER B 15 16.731 25.891 10.576 1.00 63.31 H new ATOM 0 HG SER B 15 15.449 27.393 11.466 1.00 42.11 H new ATOM 1782 N GLU B 16 19.199 24.623 11.396 1.00 40.41 N ATOM 1783 CA GLU B 16 19.494 23.477 12.247 1.00 13.44 C ATOM 1784 C GLU B 16 20.921 23.552 12.785 1.00 32.01 C ATOM 1785 O GLU B 16 21.309 22.773 13.657 1.00 23.44 O ATOM 1786 CB GLU B 16 19.299 22.173 11.470 1.00 54.12 C ATOM 1787 CG GLU B 16 18.948 20.986 12.350 1.00 50.43 C ATOM 1788 CD GLU B 16 17.548 21.080 12.926 1.00 43.22 C ATOM 1789 OE1 GLU B 16 16.626 21.475 12.182 1.00 51.44 O ATOM 1790 OE2 GLU B 16 17.376 20.759 14.120 1.00 35.53 O ATOM 0 H GLU B 16 19.256 24.432 10.396 1.00 40.41 H new ATOM 0 HA GLU B 16 18.804 23.496 13.091 1.00 13.44 H new ATOM 0 HB2 GLU B 16 18.509 22.314 10.733 1.00 54.12 H new ATOM 0 HB3 GLU B 16 20.212 21.948 10.919 1.00 54.12 H new ATOM 0 HG2 GLU B 16 19.037 20.069 11.768 1.00 50.43 H new ATOM 0 HG3 GLU B 16 19.668 20.917 13.165 1.00 50.43 H new ATOM 1797 N TYR B 17 21.696 24.492 12.258 1.00 34.32 N ATOM 1798 CA TYR B 17 23.080 24.668 12.682 1.00 12.14 C ATOM 1799 C TYR B 17 23.904 23.419 12.385 1.00 53.41 C ATOM 1800 O TYR B 17 24.857 23.105 13.099 1.00 71.22 O ATOM 1801 CB TYR B 17 23.140 24.990 14.177 1.00 12.25 C ATOM 1802 CG TYR B 17 22.206 26.102 14.595 1.00 11.31 C ATOM 1803 CD1 TYR B 17 22.310 27.370 14.038 1.00 24.11 C ATOM 1804 CD2 TYR B 17 21.219 25.884 15.548 1.00 4.33 C ATOM 1805 CE1 TYR B 17 21.458 28.390 14.418 1.00 12.34 C ATOM 1806 CE2 TYR B 17 20.362 26.898 15.933 1.00 21.33 C ATOM 1807 CZ TYR B 17 20.486 28.148 15.366 1.00 21.44 C ATOM 1808 OH TYR B 17 19.635 29.160 15.747 1.00 40.42 O ATOM 0 H TYR B 17 21.390 25.144 11.536 1.00 34.32 H new ATOM 0 HA TYR B 17 23.503 25.501 12.120 1.00 12.14 H new ATOM 0 HB2 TYR B 17 22.897 24.091 14.744 1.00 12.25 H new ATOM 0 HB3 TYR B 17 24.161 25.267 14.440 1.00 12.25 H new ATOM 0 HD1 TYR B 17 23.070 27.562 13.295 1.00 24.11 H new ATOM 0 HD2 TYR B 17 21.120 24.906 15.995 1.00 4.33 H new ATOM 0 HE1 TYR B 17 21.553 29.370 13.975 1.00 12.34 H new ATOM 0 HE2 TYR B 17 19.599 26.712 16.674 1.00 21.33 H new ATOM 0 HH TYR B 17 19.009 28.824 16.422 1.00 40.42 H new ATOM 1818 N LEU B 18 23.529 22.710 11.327 1.00 12.20 N ATOM 1819 CA LEU B 18 24.233 21.494 10.933 1.00 24.40 C ATOM 1820 C LEU B 18 25.120 21.747 9.719 1.00 52.21 C ATOM 1821 O LEU B 18 25.029 22.794 9.078 1.00 53.11 O ATOM 1822 CB LEU B 18 23.231 20.380 10.624 1.00 20.43 C ATOM 1823 CG LEU B 18 22.322 20.610 9.416 1.00 13.14 C ATOM 1824 CD1 LEU B 18 23.014 20.170 8.135 1.00 73.11 C ATOM 1825 CD2 LEU B 18 21.004 19.871 9.592 1.00 4.13 C ATOM 0 H LEU B 18 22.742 22.955 10.726 1.00 12.20 H new ATOM 0 HA LEU B 18 24.867 21.185 11.764 1.00 24.40 H new ATOM 0 HB2 LEU B 18 23.785 19.455 10.466 1.00 20.43 H new ATOM 0 HB3 LEU B 18 22.603 20.230 11.502 1.00 20.43 H new ATOM 0 HG LEU B 18 22.111 21.677 9.343 1.00 13.14 H new ATOM 0 HD11 LEU B 18 22.352 20.341 7.286 1.00 73.11 H new ATOM 0 HD12 LEU B 18 23.931 20.744 8.001 1.00 73.11 H new ATOM 0 HD13 LEU B 18 23.256 19.109 8.198 1.00 73.11 H new ATOM 0 HD21 LEU B 18 20.370 20.046 8.723 1.00 4.13 H new ATOM 0 HD22 LEU B 18 21.196 18.803 9.692 1.00 4.13 H new ATOM 0 HD23 LEU B 18 20.500 20.234 10.488 1.00 4.13 H new ATOM 1837 N SER B 19 25.976 20.779 9.406 1.00 12.41 N ATOM 1838 CA SER B 19 26.881 20.898 8.268 1.00 64.34 C ATOM 1839 C SER B 19 26.353 20.117 7.069 1.00 33.32 C ATOM 1840 O SER B 19 25.571 19.178 7.222 1.00 1.23 O ATOM 1841 CB SER B 19 28.276 20.395 8.645 1.00 15.24 C ATOM 1842 OG SER B 19 28.838 21.179 9.683 1.00 63.44 O ATOM 0 H SER B 19 26.062 19.904 9.924 1.00 12.41 H new ATOM 0 HA SER B 19 26.944 21.951 7.994 1.00 64.34 H new ATOM 0 HB2 SER B 19 28.217 19.354 8.963 1.00 15.24 H new ATOM 0 HB3 SER B 19 28.925 20.425 7.770 1.00 15.24 H new ATOM 0 HG SER B 19 29.728 20.836 9.907 1.00 63.44 H new ATOM 1848 N ARG B 20 26.786 20.511 5.876 1.00 0.34 N ATOM 1849 CA ARG B 20 26.357 19.850 4.651 1.00 13.34 C ATOM 1850 C ARG B 20 26.554 18.340 4.750 1.00 61.45 C ATOM 1851 O ARG B 20 25.808 17.566 4.149 1.00 32.35 O ATOM 1852 CB ARG B 20 27.132 20.398 3.451 1.00 32.01 C ATOM 1853 CG ARG B 20 26.341 21.393 2.618 1.00 12.30 C ATOM 1854 CD ARG B 20 26.804 21.398 1.170 1.00 43.42 C ATOM 1855 NE ARG B 20 27.301 22.709 0.758 1.00 33.34 N ATOM 1856 CZ ARG B 20 28.489 23.187 1.108 1.00 13.22 C ATOM 1857 NH1 ARG B 20 29.299 22.466 1.871 1.00 45.34 N ATOM 1858 NH2 ARG B 20 28.870 24.389 0.694 1.00 44.43 N ATOM 0 H ARG B 20 27.434 21.285 5.732 1.00 0.34 H new ATOM 0 HA ARG B 20 25.295 20.053 4.512 1.00 13.34 H new ATOM 0 HB2 ARG B 20 28.044 20.878 3.807 1.00 32.01 H new ATOM 0 HB3 ARG B 20 27.437 19.566 2.816 1.00 32.01 H new ATOM 0 HG2 ARG B 20 25.281 21.144 2.661 1.00 12.30 H new ATOM 0 HG3 ARG B 20 26.451 22.392 3.040 1.00 12.30 H new ATOM 0 HD2 ARG B 20 27.590 20.655 1.038 1.00 43.42 H new ATOM 0 HD3 ARG B 20 25.977 21.105 0.524 1.00 43.42 H new ATOM 0 HE ARG B 20 26.702 23.288 0.169 1.00 33.34 H new ATOM 0 HH11 ARG B 20 29.010 21.542 2.191 1.00 45.34 H new ATOM 0 HH12 ARG B 20 30.211 22.836 2.138 1.00 45.34 H new ATOM 0 HH21 ARG B 20 28.250 24.946 0.106 1.00 44.43 H new ATOM 0 HH22 ARG B 20 29.783 24.756 0.963 1.00 44.43 H new ATOM 1872 N GLN B 21 27.562 17.928 5.512 1.00 14.43 N ATOM 1873 CA GLN B 21 27.856 16.512 5.689 1.00 43.34 C ATOM 1874 C GLN B 21 26.839 15.855 6.617 1.00 62.14 C ATOM 1875 O GLN B 21 26.456 14.703 6.416 1.00 41.54 O ATOM 1876 CB GLN B 21 29.268 16.329 6.250 1.00 2.32 C ATOM 1877 CG GLN B 21 29.472 16.982 7.608 1.00 23.52 C ATOM 1878 CD GLN B 21 30.937 17.166 7.953 1.00 53.34 C ATOM 1879 OE1 GLN B 21 31.667 17.870 7.254 1.00 14.14 O ATOM 1880 NE2 GLN B 21 31.375 16.532 9.034 1.00 71.20 N ATOM 0 H GLN B 21 28.189 18.555 6.016 1.00 14.43 H new ATOM 0 HA GLN B 21 27.794 16.030 4.713 1.00 43.34 H new ATOM 0 HB2 GLN B 21 29.482 15.263 6.333 1.00 2.32 H new ATOM 0 HB3 GLN B 21 29.987 16.745 5.544 1.00 2.32 H new ATOM 0 HG2 GLN B 21 28.976 17.952 7.619 1.00 23.52 H new ATOM 0 HG3 GLN B 21 28.996 16.372 8.376 1.00 23.52 H new ATOM 0 HE21 GLN B 21 30.735 15.959 9.584 1.00 71.20 H new ATOM 0 HE22 GLN B 21 32.352 16.618 9.315 1.00 71.20 H new ATOM 1889 N GLN B 22 26.407 16.597 7.632 1.00 33.40 N ATOM 1890 CA GLN B 22 25.435 16.084 8.590 1.00 53.02 C ATOM 1891 C GLN B 22 24.120 15.736 7.899 1.00 53.44 C ATOM 1892 O GLN B 22 23.637 14.607 7.994 1.00 72.23 O ATOM 1893 CB GLN B 22 25.186 17.114 9.695 1.00 4.03 C ATOM 1894 CG GLN B 22 24.062 16.728 10.643 1.00 5.22 C ATOM 1895 CD GLN B 22 24.323 15.416 11.356 1.00 40.14 C ATOM 1896 OE1 GLN B 22 24.197 14.341 10.770 1.00 24.31 O ATOM 1897 NE2 GLN B 22 24.691 15.497 12.630 1.00 70.34 N ATOM 0 H GLN B 22 26.714 17.553 7.812 1.00 33.40 H new ATOM 0 HA GLN B 22 25.843 15.175 9.033 1.00 53.02 H new ATOM 0 HB2 GLN B 22 26.103 17.249 10.268 1.00 4.03 H new ATOM 0 HB3 GLN B 22 24.951 18.075 9.238 1.00 4.03 H new ATOM 0 HG2 GLN B 22 23.928 17.518 11.382 1.00 5.22 H new ATOM 0 HG3 GLN B 22 23.130 16.654 10.083 1.00 5.22 H new ATOM 0 HE21 GLN B 22 24.783 16.409 13.077 1.00 70.34 H new ATOM 0 HE22 GLN B 22 24.881 14.647 13.161 1.00 70.34 H new ATOM 1906 N LEU B 23 23.546 16.712 7.205 1.00 15.24 N ATOM 1907 CA LEU B 23 22.286 16.509 6.498 1.00 60.42 C ATOM 1908 C LEU B 23 22.451 15.492 5.372 1.00 74.31 C ATOM 1909 O LEU B 23 21.609 14.615 5.187 1.00 34.01 O ATOM 1910 CB LEU B 23 21.777 17.835 5.932 1.00 62.13 C ATOM 1911 CG LEU B 23 20.760 17.733 4.793 1.00 44.52 C ATOM 1912 CD1 LEU B 23 19.605 16.826 5.189 1.00 33.53 C ATOM 1913 CD2 LEU B 23 20.248 19.114 4.410 1.00 12.23 C ATOM 0 H LEU B 23 23.933 17.652 7.116 1.00 15.24 H new ATOM 0 HA LEU B 23 21.557 16.121 7.209 1.00 60.42 H new ATOM 0 HB2 LEU B 23 21.326 18.405 6.745 1.00 62.13 H new ATOM 0 HB3 LEU B 23 22.633 18.408 5.577 1.00 62.13 H new ATOM 0 HG LEU B 23 21.257 17.298 3.926 1.00 44.52 H new ATOM 0 HD11 LEU B 23 18.892 16.765 4.367 1.00 33.53 H new ATOM 0 HD12 LEU B 23 19.985 15.830 5.414 1.00 33.53 H new ATOM 0 HD13 LEU B 23 19.109 17.232 6.071 1.00 33.53 H new ATOM 0 HD21 LEU B 23 19.526 19.022 3.599 1.00 12.23 H new ATOM 0 HD22 LEU B 23 19.768 19.576 5.273 1.00 12.23 H new ATOM 0 HD23 LEU B 23 21.083 19.734 4.084 1.00 12.23 H new ATOM 1925 N ALA B 24 23.544 15.616 4.626 1.00 31.24 N ATOM 1926 CA ALA B 24 23.821 14.707 3.521 1.00 75.43 C ATOM 1927 C ALA B 24 23.786 13.254 3.985 1.00 63.14 C ATOM 1928 O ALA B 24 23.525 12.347 3.195 1.00 31.23 O ATOM 1929 CB ALA B 24 25.171 15.030 2.898 1.00 65.45 C ATOM 0 H ALA B 24 24.252 16.337 4.767 1.00 31.24 H new ATOM 0 HA ALA B 24 23.044 14.841 2.769 1.00 75.43 H new ATOM 0 HB1 ALA B 24 25.365 14.343 2.074 1.00 65.45 H new ATOM 0 HB2 ALA B 24 25.163 16.054 2.523 1.00 65.45 H new ATOM 0 HB3 ALA B 24 25.953 14.925 3.650 1.00 65.45 H new ATOM 1935 N ASP B 25 24.049 13.041 5.270 1.00 53.33 N ATOM 1936 CA ASP B 25 24.047 11.698 5.838 1.00 63.20 C ATOM 1937 C ASP B 25 22.710 11.395 6.509 1.00 41.34 C ATOM 1938 O ASP B 25 22.357 10.234 6.715 1.00 55.50 O ATOM 1939 CB ASP B 25 25.184 11.547 6.849 1.00 35.03 C ATOM 1940 CG ASP B 25 26.120 10.405 6.501 1.00 31.34 C ATOM 1941 OD1 ASP B 25 25.708 9.235 6.653 1.00 43.25 O ATOM 1942 OD2 ASP B 25 27.262 10.680 6.080 1.00 75.51 O ATOM 0 H ASP B 25 24.266 13.781 5.938 1.00 53.33 H new ATOM 0 HA ASP B 25 24.196 10.986 5.026 1.00 63.20 H new ATOM 0 HB2 ASP B 25 25.751 12.477 6.895 1.00 35.03 H new ATOM 0 HB3 ASP B 25 24.765 11.380 7.841 1.00 35.03 H new ATOM 1947 N LEU B 26 21.973 12.446 6.849 1.00 71.41 N ATOM 1948 CA LEU B 26 20.675 12.293 7.497 1.00 64.24 C ATOM 1949 C LEU B 26 19.607 11.884 6.489 1.00 43.13 C ATOM 1950 O LEU B 26 18.558 11.357 6.858 1.00 10.22 O ATOM 1951 CB LEU B 26 20.270 13.597 8.187 1.00 4.31 C ATOM 1952 CG LEU B 26 20.190 13.554 9.712 1.00 10.30 C ATOM 1953 CD1 LEU B 26 21.226 14.482 10.328 1.00 61.54 C ATOM 1954 CD2 LEU B 26 18.792 13.924 10.184 1.00 62.25 C ATOM 0 H LEU B 26 22.252 13.414 6.687 1.00 71.41 H new ATOM 0 HA LEU B 26 20.761 11.505 8.245 1.00 64.24 H new ATOM 0 HB2 LEU B 26 20.983 14.371 7.903 1.00 4.31 H new ATOM 0 HB3 LEU B 26 19.297 13.902 7.801 1.00 4.31 H new ATOM 0 HG LEU B 26 20.404 12.536 10.039 1.00 10.30 H new ATOM 0 HD11 LEU B 26 21.154 14.438 11.415 1.00 61.54 H new ATOM 0 HD12 LEU B 26 22.223 14.171 10.018 1.00 61.54 H new ATOM 0 HD13 LEU B 26 21.044 15.503 9.994 1.00 61.54 H new ATOM 0 HD21 LEU B 26 18.754 13.888 11.273 1.00 62.25 H new ATOM 0 HD22 LEU B 26 18.548 14.931 9.846 1.00 62.25 H new ATOM 0 HD23 LEU B 26 18.070 13.218 9.772 1.00 62.25 H new ATOM 1966 N THR B 27 19.882 12.129 5.211 1.00 72.41 N ATOM 1967 CA THR B 27 18.945 11.786 4.149 1.00 53.05 C ATOM 1968 C THR B 27 19.542 10.750 3.203 1.00 51.22 C ATOM 1969 O THR B 27 18.817 10.040 2.508 1.00 32.24 O ATOM 1970 CB THR B 27 18.535 13.030 3.337 1.00 52.21 C ATOM 1971 OG1 THR B 27 19.680 13.581 2.675 1.00 2.43 O ATOM 1972 CG2 THR B 27 17.911 14.083 4.239 1.00 64.34 C ATOM 0 H THR B 27 20.746 12.564 4.887 1.00 72.41 H new ATOM 0 HA THR B 27 18.061 11.368 4.631 1.00 53.05 H new ATOM 0 HB THR B 27 17.797 12.726 2.595 1.00 52.21 H new ATOM 0 HG1 THR B 27 20.313 13.918 3.343 1.00 2.43 H new ATOM 0 HG21 THR B 27 17.630 14.952 3.644 1.00 64.34 H new ATOM 0 HG22 THR B 27 17.024 13.671 4.720 1.00 64.34 H new ATOM 0 HG23 THR B 27 18.631 14.383 5.000 1.00 64.34 H new ATOM 1980 N GLY B 28 20.869 10.670 3.183 1.00 31.12 N ATOM 1981 CA GLY B 28 21.541 9.716 2.319 1.00 0.51 C ATOM 1982 C GLY B 28 22.129 10.368 1.084 1.00 21.43 C ATOM 1983 O GLY B 28 22.838 9.723 0.310 1.00 31.15 O ATOM 0 H GLY B 28 21.490 11.248 3.749 1.00 31.12 H new ATOM 0 HA2 GLY B 28 22.335 9.221 2.878 1.00 0.51 H new ATOM 0 HA3 GLY B 28 20.834 8.943 2.017 1.00 0.51 H new ATOM 1987 N VAL B 29 21.834 11.650 0.895 1.00 41.33 N ATOM 1988 CA VAL B 29 22.338 12.390 -0.256 1.00 64.40 C ATOM 1989 C VAL B 29 23.861 12.468 -0.235 1.00 1.32 C ATOM 1990 O VAL B 29 24.481 12.694 0.803 1.00 12.41 O ATOM 1991 CB VAL B 29 21.763 13.818 -0.302 1.00 61.44 C ATOM 1992 CG1 VAL B 29 22.772 14.782 -0.905 1.00 50.43 C ATOM 1993 CG2 VAL B 29 20.458 13.842 -1.083 1.00 55.14 C ATOM 0 H VAL B 29 21.248 12.198 1.525 1.00 41.33 H new ATOM 0 HA VAL B 29 22.016 11.848 -1.145 1.00 64.40 H new ATOM 0 HB VAL B 29 21.555 14.140 0.719 1.00 61.44 H new ATOM 0 HG11 VAL B 29 22.347 15.786 -0.929 1.00 50.43 H new ATOM 0 HG12 VAL B 29 23.678 14.786 -0.299 1.00 50.43 H new ATOM 0 HG13 VAL B 29 23.015 14.467 -1.920 1.00 50.43 H new ATOM 0 HG21 VAL B 29 20.066 14.859 -1.105 1.00 55.14 H new ATOM 0 HG22 VAL B 29 20.638 13.500 -2.102 1.00 55.14 H new ATOM 0 HG23 VAL B 29 19.734 13.184 -0.602 1.00 55.14 H new ATOM 2003 N PRO B 30 24.479 12.276 -1.410 1.00 64.31 N ATOM 2004 CA PRO B 30 25.936 12.320 -1.554 1.00 44.21 C ATOM 2005 C PRO B 30 26.494 13.729 -1.379 1.00 55.44 C ATOM 2006 O PRO B 30 26.143 14.643 -2.126 1.00 52.10 O ATOM 2007 CB PRO B 30 26.167 11.828 -2.985 1.00 72.05 C ATOM 2008 CG PRO B 30 24.901 12.146 -3.703 1.00 25.14 C ATOM 2009 CD PRO B 30 23.801 12.001 -2.689 1.00 2.43 C ATOM 0 HA PRO B 30 26.438 11.719 -0.796 1.00 44.21 H new ATOM 0 HB2 PRO B 30 27.019 12.330 -3.444 1.00 72.05 H new ATOM 0 HB3 PRO B 30 26.377 10.759 -3.007 1.00 72.05 H new ATOM 0 HG2 PRO B 30 24.926 13.157 -4.109 1.00 25.14 H new ATOM 0 HG3 PRO B 30 24.749 11.469 -4.543 1.00 25.14 H new ATOM 0 HD2 PRO B 30 22.989 12.705 -2.873 1.00 2.43 H new ATOM 0 HD3 PRO B 30 23.367 11.001 -2.707 1.00 2.43 H new ATOM 2017 N TYR B 31 27.364 13.897 -0.390 1.00 55.04 N ATOM 2018 CA TYR B 31 27.967 15.196 -0.117 1.00 73.24 C ATOM 2019 C TYR B 31 28.693 15.729 -1.347 1.00 50.10 C ATOM 2020 O TYR B 31 28.749 16.937 -1.575 1.00 14.12 O ATOM 2021 CB TYR B 31 28.942 15.091 1.059 1.00 71.51 C ATOM 2022 CG TYR B 31 29.621 16.398 1.399 1.00 71.30 C ATOM 2023 CD1 TYR B 31 30.760 16.810 0.719 1.00 11.35 C ATOM 2024 CD2 TYR B 31 29.123 17.222 2.402 1.00 4.21 C ATOM 2025 CE1 TYR B 31 31.385 18.003 1.028 1.00 75.30 C ATOM 2026 CE2 TYR B 31 29.741 18.417 2.716 1.00 23.24 C ATOM 2027 CZ TYR B 31 30.872 18.803 2.027 1.00 13.24 C ATOM 2028 OH TYR B 31 31.490 19.992 2.338 1.00 2.20 O ATOM 0 H TYR B 31 27.667 13.151 0.236 1.00 55.04 H new ATOM 0 HA TYR B 31 27.169 15.892 0.141 1.00 73.24 H new ATOM 0 HB2 TYR B 31 28.403 14.732 1.936 1.00 71.51 H new ATOM 0 HB3 TYR B 31 29.702 14.346 0.825 1.00 71.51 H new ATOM 0 HD1 TYR B 31 31.164 16.187 -0.065 1.00 11.35 H new ATOM 0 HD2 TYR B 31 28.238 16.923 2.945 1.00 4.21 H new ATOM 0 HE1 TYR B 31 32.271 18.307 0.490 1.00 75.30 H new ATOM 0 HE2 TYR B 31 29.341 19.046 3.497 1.00 23.24 H new ATOM 0 HH TYR B 31 31.001 20.435 3.063 1.00 2.20 H new ATOM 2038 N GLY B 32 29.250 14.817 -2.140 1.00 45.13 N ATOM 2039 CA GLY B 32 29.965 15.214 -3.339 1.00 74.01 C ATOM 2040 C GLY B 32 29.081 15.953 -4.324 1.00 73.43 C ATOM 2041 O GLY B 32 29.563 16.764 -5.116 1.00 1.33 O ATOM 0 H GLY B 32 29.218 13.811 -1.973 1.00 45.13 H new ATOM 0 HA2 GLY B 32 30.806 15.850 -3.063 1.00 74.01 H new ATOM 0 HA3 GLY B 32 30.379 14.329 -3.821 1.00 74.01 H new ATOM 2045 N THR B 33 27.782 15.674 -4.277 1.00 10.04 N ATOM 2046 CA THR B 33 26.829 16.316 -5.173 1.00 11.04 C ATOM 2047 C THR B 33 26.032 17.394 -4.447 1.00 2.51 C ATOM 2048 O THR B 33 25.659 18.408 -5.038 1.00 23.25 O ATOM 2049 CB THR B 33 25.851 15.292 -5.780 1.00 3.23 C ATOM 2050 OG1 THR B 33 26.560 14.112 -6.175 1.00 14.15 O ATOM 2051 CG2 THR B 33 25.129 15.881 -6.982 1.00 42.22 C ATOM 0 H THR B 33 27.366 15.007 -3.627 1.00 10.04 H new ATOM 0 HA THR B 33 27.408 16.774 -5.975 1.00 11.04 H new ATOM 0 HB THR B 33 25.112 15.035 -5.021 1.00 3.23 H new ATOM 0 HG1 THR B 33 25.931 13.465 -6.558 1.00 14.15 H new ATOM 0 HG21 THR B 33 24.444 15.140 -7.394 1.00 42.22 H new ATOM 0 HG22 THR B 33 24.567 16.762 -6.673 1.00 42.22 H new ATOM 0 HG23 THR B 33 25.858 16.163 -7.742 1.00 42.22 H new ATOM 2059 N LEU B 34 25.774 17.168 -3.163 1.00 5.42 N ATOM 2060 CA LEU B 34 25.021 18.122 -2.355 1.00 11.23 C ATOM 2061 C LEU B 34 25.612 19.522 -2.473 1.00 53.41 C ATOM 2062 O LEU B 34 24.886 20.515 -2.499 1.00 25.43 O ATOM 2063 CB LEU B 34 25.009 17.682 -0.890 1.00 44.11 C ATOM 2064 CG LEU B 34 24.416 18.678 0.105 1.00 20.43 C ATOM 2065 CD1 LEU B 34 22.898 18.694 0.007 1.00 30.33 C ATOM 2066 CD2 LEU B 34 24.856 18.343 1.523 1.00 54.42 C ATOM 0 H LEU B 34 26.075 16.333 -2.659 1.00 5.42 H new ATOM 0 HA LEU B 34 23.997 18.148 -2.728 1.00 11.23 H new ATOM 0 HB2 LEU B 34 24.450 16.749 -0.816 1.00 44.11 H new ATOM 0 HB3 LEU B 34 26.034 17.464 -0.589 1.00 44.11 H new ATOM 0 HG LEU B 34 24.786 19.673 -0.144 1.00 20.43 H new ATOM 0 HD11 LEU B 34 22.495 19.410 0.724 1.00 30.33 H new ATOM 0 HD12 LEU B 34 22.602 18.984 -1.001 1.00 30.33 H new ATOM 0 HD13 LEU B 34 22.509 17.700 0.228 1.00 30.33 H new ATOM 0 HD21 LEU B 34 24.424 19.063 2.218 1.00 54.42 H new ATOM 0 HD22 LEU B 34 24.516 17.340 1.782 1.00 54.42 H new ATOM 0 HD23 LEU B 34 25.943 18.385 1.586 1.00 54.42 H new ATOM 2078 N SER B 35 26.938 19.594 -2.545 1.00 61.31 N ATOM 2079 CA SER B 35 27.629 20.874 -2.658 1.00 34.14 C ATOM 2080 C SER B 35 27.056 21.701 -3.805 1.00 4.52 C ATOM 2081 O SER B 35 27.039 22.931 -3.750 1.00 30.41 O ATOM 2082 CB SER B 35 29.127 20.652 -2.873 1.00 14.21 C ATOM 2083 OG SER B 35 29.473 20.796 -4.240 1.00 62.41 O ATOM 0 H SER B 35 27.555 18.782 -2.527 1.00 61.31 H new ATOM 0 HA SER B 35 27.480 21.422 -1.728 1.00 34.14 H new ATOM 0 HB2 SER B 35 29.693 21.365 -2.274 1.00 14.21 H new ATOM 0 HB3 SER B 35 29.403 19.656 -2.528 1.00 14.21 H new ATOM 0 HG SER B 35 30.436 20.650 -4.351 1.00 62.41 H new ATOM 2089 N TYR B 36 26.588 21.017 -4.842 1.00 41.34 N ATOM 2090 CA TYR B 36 26.015 21.687 -6.004 1.00 34.30 C ATOM 2091 C TYR B 36 24.506 21.851 -5.851 1.00 45.21 C ATOM 2092 O TYR B 36 23.899 22.725 -6.469 1.00 45.01 O ATOM 2093 CB TYR B 36 26.328 20.899 -7.278 1.00 40.31 C ATOM 2094 CG TYR B 36 27.762 20.431 -7.365 1.00 34.30 C ATOM 2095 CD1 TYR B 36 28.814 21.337 -7.320 1.00 45.14 C ATOM 2096 CD2 TYR B 36 28.066 19.081 -7.489 1.00 32.43 C ATOM 2097 CE1 TYR B 36 30.126 20.914 -7.399 1.00 64.54 C ATOM 2098 CE2 TYR B 36 29.375 18.648 -7.567 1.00 62.53 C ATOM 2099 CZ TYR B 36 30.402 19.568 -7.522 1.00 62.20 C ATOM 2100 OH TYR B 36 31.708 19.142 -7.600 1.00 51.03 O ATOM 0 H TYR B 36 26.594 19.999 -4.903 1.00 41.34 H new ATOM 0 HA TYR B 36 26.463 22.678 -6.078 1.00 34.30 H new ATOM 0 HB2 TYR B 36 25.668 20.033 -7.330 1.00 40.31 H new ATOM 0 HB3 TYR B 36 26.105 21.522 -8.144 1.00 40.31 H new ATOM 0 HD1 TYR B 36 28.602 22.391 -7.221 1.00 45.14 H new ATOM 0 HD2 TYR B 36 27.265 18.358 -7.525 1.00 32.43 H new ATOM 0 HE1 TYR B 36 30.931 21.633 -7.365 1.00 64.54 H new ATOM 0 HE2 TYR B 36 29.594 17.595 -7.663 1.00 62.53 H new ATOM 0 HH TYR B 36 31.729 18.166 -7.682 1.00 51.03 H new ATOM 2110 N TYR B 37 23.907 21.004 -5.021 1.00 23.03 N ATOM 2111 CA TYR B 37 22.469 21.052 -4.786 1.00 71.53 C ATOM 2112 C TYR B 37 22.064 22.383 -4.159 1.00 1.34 C ATOM 2113 O TYR B 37 21.491 23.245 -4.824 1.00 12.02 O ATOM 2114 CB TYR B 37 22.040 19.897 -3.880 1.00 44.25 C ATOM 2115 CG TYR B 37 21.736 18.620 -4.630 1.00 22.43 C ATOM 2116 CD1 TYR B 37 22.438 18.282 -5.780 1.00 52.14 C ATOM 2117 CD2 TYR B 37 20.747 17.750 -4.188 1.00 15.42 C ATOM 2118 CE1 TYR B 37 22.163 17.117 -6.469 1.00 2.53 C ATOM 2119 CE2 TYR B 37 20.466 16.581 -4.869 1.00 0.41 C ATOM 2120 CZ TYR B 37 21.176 16.270 -6.010 1.00 71.12 C ATOM 2121 OH TYR B 37 20.901 15.107 -6.692 1.00 2.50 O ATOM 0 H TYR B 37 24.395 20.276 -4.500 1.00 23.03 H new ATOM 0 HA TYR B 37 21.966 20.956 -5.748 1.00 71.53 H new ATOM 0 HB2 TYR B 37 22.830 19.703 -3.154 1.00 44.25 H new ATOM 0 HB3 TYR B 37 21.156 20.197 -3.317 1.00 44.25 H new ATOM 0 HD1 TYR B 37 23.213 18.942 -6.142 1.00 52.14 H new ATOM 0 HD2 TYR B 37 20.188 17.992 -3.296 1.00 15.42 H new ATOM 0 HE1 TYR B 37 22.718 16.871 -7.362 1.00 2.53 H new ATOM 0 HE2 TYR B 37 19.695 15.915 -4.510 1.00 0.41 H new ATOM 0 HH TYR B 37 20.180 14.623 -6.237 1.00 2.50 H new ATOM 2131 N GLU B 38 22.368 22.541 -2.875 1.00 43.22 N ATOM 2132 CA GLU B 38 22.036 23.766 -2.157 1.00 44.31 C ATOM 2133 C GLU B 38 22.663 24.981 -2.834 1.00 24.45 C ATOM 2134 O GLU B 38 22.191 26.107 -2.675 1.00 42.22 O ATOM 2135 CB GLU B 38 22.508 23.677 -0.704 1.00 11.21 C ATOM 2136 CG GLU B 38 24.021 23.655 -0.557 1.00 54.50 C ATOM 2137 CD GLU B 38 24.569 24.949 0.011 1.00 35.11 C ATOM 2138 OE1 GLU B 38 24.248 25.272 1.174 1.00 70.20 O ATOM 2139 OE2 GLU B 38 25.322 25.640 -0.707 1.00 63.32 O ATOM 0 H GLU B 38 22.843 21.837 -2.311 1.00 43.22 H new ATOM 0 HA GLU B 38 20.952 23.883 -2.172 1.00 44.31 H new ATOM 0 HB2 GLU B 38 22.109 24.526 -0.148 1.00 11.21 H new ATOM 0 HB3 GLU B 38 22.094 22.776 -0.251 1.00 11.21 H new ATOM 0 HG2 GLU B 38 24.308 22.827 0.092 1.00 54.50 H new ATOM 0 HG3 GLU B 38 24.475 23.469 -1.531 1.00 54.50 H new ATOM 2146 N SER B 39 23.730 24.744 -3.590 1.00 53.34 N ATOM 2147 CA SER B 39 24.427 25.819 -4.289 1.00 70.11 C ATOM 2148 C SER B 39 23.598 26.328 -5.463 1.00 24.54 C ATOM 2149 O SER B 39 23.863 27.401 -6.005 1.00 41.42 O ATOM 2150 CB SER B 39 25.790 25.333 -4.785 1.00 1.22 C ATOM 2151 OG SER B 39 26.248 26.121 -5.870 1.00 11.15 O ATOM 0 H SER B 39 24.131 23.817 -3.735 1.00 53.34 H new ATOM 0 HA SER B 39 24.575 26.640 -3.588 1.00 70.11 H new ATOM 0 HB2 SER B 39 26.513 25.375 -3.970 1.00 1.22 H new ATOM 0 HB3 SER B 39 25.718 24.290 -5.094 1.00 1.22 H new ATOM 0 HG SER B 39 27.121 25.791 -6.168 1.00 11.15 H new ATOM 2157 N GLY B 40 22.592 25.551 -5.852 1.00 41.23 N ATOM 2158 CA GLY B 40 21.739 25.940 -6.960 1.00 73.32 C ATOM 2159 C GLY B 40 22.381 25.674 -8.307 1.00 71.50 C ATOM 2160 O GLY B 40 21.881 26.121 -9.339 1.00 64.32 O ATOM 0 H GLY B 40 22.352 24.659 -5.420 1.00 41.23 H new ATOM 0 HA2 GLY B 40 20.796 25.397 -6.897 1.00 73.32 H new ATOM 0 HA3 GLY B 40 21.502 27.001 -6.877 1.00 73.32 H new ATOM 2164 N ARG B 41 23.492 24.944 -8.298 1.00 73.33 N ATOM 2165 CA ARG B 41 24.205 24.622 -9.528 1.00 73.31 C ATOM 2166 C ARG B 41 23.301 23.865 -10.498 1.00 30.24 C ATOM 2167 O ARG B 41 23.171 24.241 -11.662 1.00 23.15 O ATOM 2168 CB ARG B 41 25.450 23.787 -9.217 1.00 2.45 C ATOM 2169 CG ARG B 41 26.670 24.191 -10.028 1.00 71.20 C ATOM 2170 CD ARG B 41 27.524 25.204 -9.281 1.00 3.45 C ATOM 2171 NE ARG B 41 28.729 25.559 -10.026 1.00 73.34 N ATOM 2172 CZ ARG B 41 29.539 26.553 -9.682 1.00 44.45 C ATOM 2173 NH1 ARG B 41 29.276 27.288 -8.610 1.00 73.10 N ATOM 2174 NH2 ARG B 41 30.617 26.815 -10.411 1.00 72.43 N ATOM 0 H ARG B 41 23.918 24.565 -7.452 1.00 73.33 H new ATOM 0 HA ARG B 41 24.511 25.557 -9.997 1.00 73.31 H new ATOM 0 HB2 ARG B 41 25.683 23.878 -8.156 1.00 2.45 H new ATOM 0 HB3 ARG B 41 25.230 22.736 -9.406 1.00 2.45 H new ATOM 0 HG2 ARG B 41 27.266 23.307 -10.255 1.00 71.20 H new ATOM 0 HG3 ARG B 41 26.351 24.614 -10.981 1.00 71.20 H new ATOM 0 HD2 ARG B 41 26.937 26.103 -9.091 1.00 3.45 H new ATOM 0 HD3 ARG B 41 27.805 24.796 -8.310 1.00 3.45 H new ATOM 0 HE ARG B 41 28.961 25.013 -10.856 1.00 73.34 H new ATOM 0 HH11 ARG B 41 28.449 27.090 -8.047 1.00 73.10 H new ATOM 0 HH12 ARG B 41 29.901 28.051 -8.349 1.00 73.10 H new ATOM 0 HH21 ARG B 41 30.824 26.252 -11.236 1.00 72.43 H new ATOM 0 HH22 ARG B 41 31.239 27.579 -10.146 1.00 72.43 H new ATOM 2188 N SER B 42 22.680 22.797 -10.008 1.00 53.33 N ATOM 2189 CA SER B 42 21.792 21.985 -10.832 1.00 23.23 C ATOM 2190 C SER B 42 20.563 21.550 -10.040 1.00 3.44 C ATOM 2191 O SER B 42 20.660 20.748 -9.109 1.00 55.33 O ATOM 2192 CB SER B 42 22.534 20.755 -11.359 1.00 33.02 C ATOM 2193 OG SER B 42 22.397 20.642 -12.765 1.00 14.24 O ATOM 0 H SER B 42 22.775 22.474 -9.045 1.00 53.33 H new ATOM 0 HA SER B 42 21.463 22.592 -11.676 1.00 23.23 H new ATOM 0 HB2 SER B 42 23.590 20.823 -11.097 1.00 33.02 H new ATOM 0 HB3 SER B 42 22.144 19.857 -10.879 1.00 33.02 H new ATOM 0 HG SER B 42 22.881 19.850 -13.078 1.00 14.24 H new ATOM 2199 N THR B 43 19.405 22.085 -10.415 1.00 54.02 N ATOM 2200 CA THR B 43 18.156 21.754 -9.741 1.00 44.13 C ATOM 2201 C THR B 43 17.960 20.244 -9.655 1.00 62.42 C ATOM 2202 O THR B 43 17.895 19.544 -10.665 1.00 42.45 O ATOM 2203 CB THR B 43 16.945 22.376 -10.463 1.00 15.34 C ATOM 2204 OG1 THR B 43 17.176 23.771 -10.692 1.00 15.25 O ATOM 2205 CG2 THR B 43 15.675 22.194 -9.646 1.00 51.13 C ATOM 0 H THR B 43 19.307 22.750 -11.182 1.00 54.02 H new ATOM 0 HA THR B 43 18.222 22.167 -8.735 1.00 44.13 H new ATOM 0 HB THR B 43 16.818 21.867 -11.418 1.00 15.34 H new ATOM 0 HG1 THR B 43 16.403 24.159 -11.153 1.00 15.25 H new ATOM 0 HG21 THR B 43 14.834 22.641 -10.176 1.00 51.13 H new ATOM 0 HG22 THR B 43 15.487 21.131 -9.498 1.00 51.13 H new ATOM 0 HG23 THR B 43 15.793 22.680 -8.677 1.00 51.13 H new ATOM 2213 N PRO B 44 17.863 19.730 -8.420 1.00 34.10 N ATOM 2214 CA PRO B 44 17.672 18.297 -8.173 1.00 64.22 C ATOM 2215 C PRO B 44 16.285 17.817 -8.589 1.00 65.12 C ATOM 2216 O PRO B 44 15.384 18.609 -8.865 1.00 43.23 O ATOM 2217 CB PRO B 44 17.848 18.172 -6.658 1.00 42.35 C ATOM 2218 CG PRO B 44 17.497 19.518 -6.123 1.00 43.14 C ATOM 2219 CD PRO B 44 17.931 20.506 -7.170 1.00 4.14 C ATOM 0 HA PRO B 44 18.369 17.688 -8.749 1.00 64.22 H new ATOM 0 HB2 PRO B 44 17.197 17.400 -6.246 1.00 42.35 H new ATOM 0 HB3 PRO B 44 18.871 17.898 -6.400 1.00 42.35 H new ATOM 0 HG2 PRO B 44 16.426 19.595 -5.933 1.00 43.14 H new ATOM 0 HG3 PRO B 44 18.003 19.706 -5.176 1.00 43.14 H new ATOM 0 HD2 PRO B 44 17.273 21.375 -7.200 1.00 4.14 H new ATOM 0 HD3 PRO B 44 18.939 20.876 -6.981 1.00 4.14 H new ATOM 2227 N PRO B 45 16.108 16.488 -8.634 1.00 22.42 N ATOM 2228 CA PRO B 45 14.833 15.873 -9.015 1.00 43.51 C ATOM 2229 C PRO B 45 13.751 16.080 -7.960 1.00 62.05 C ATOM 2230 O PRO B 45 13.957 16.790 -6.974 1.00 14.40 O ATOM 2231 CB PRO B 45 15.180 14.388 -9.141 1.00 65.34 C ATOM 2232 CG PRO B 45 16.361 14.198 -8.255 1.00 42.52 C ATOM 2233 CD PRO B 45 17.137 15.484 -8.318 1.00 44.51 C ATOM 0 HA PRO B 45 14.427 16.309 -9.928 1.00 43.51 H new ATOM 0 HB2 PRO B 45 14.346 13.759 -8.829 1.00 65.34 H new ATOM 0 HB3 PRO B 45 15.412 14.122 -10.172 1.00 65.34 H new ATOM 0 HG2 PRO B 45 16.051 13.979 -7.233 1.00 42.52 H new ATOM 0 HG3 PRO B 45 16.969 13.358 -8.591 1.00 42.52 H new ATOM 0 HD2 PRO B 45 17.633 15.701 -7.372 1.00 44.51 H new ATOM 0 HD3 PRO B 45 17.912 15.448 -9.083 1.00 44.51 H new ATOM 2241 N THR B 46 12.597 15.455 -8.172 1.00 11.44 N ATOM 2242 CA THR B 46 11.482 15.571 -7.239 1.00 63.42 C ATOM 2243 C THR B 46 11.563 14.507 -6.151 1.00 5.13 C ATOM 2244 O THR B 46 11.101 14.716 -5.029 1.00 4.01 O ATOM 2245 CB THR B 46 10.129 15.448 -7.963 1.00 52.33 C ATOM 2246 OG1 THR B 46 9.993 16.497 -8.929 1.00 33.31 O ATOM 2247 CG2 THR B 46 8.977 15.512 -6.972 1.00 3.02 C ATOM 0 H THR B 46 12.410 14.863 -8.981 1.00 11.44 H new ATOM 0 HA THR B 46 11.553 16.558 -6.783 1.00 63.42 H new ATOM 0 HB THR B 46 10.099 14.483 -8.469 1.00 52.33 H new ATOM 0 HG1 THR B 46 10.721 16.436 -9.583 1.00 33.31 H new ATOM 0 HG21 THR B 46 8.031 15.423 -7.507 1.00 3.02 H new ATOM 0 HG22 THR B 46 9.067 14.695 -6.256 1.00 3.02 H new ATOM 0 HG23 THR B 46 9.006 16.464 -6.442 1.00 3.02 H new ATOM 2255 N ASP B 47 12.153 13.365 -6.489 1.00 1.43 N ATOM 2256 CA ASP B 47 12.294 12.267 -5.540 1.00 54.30 C ATOM 2257 C ASP B 47 13.240 12.650 -4.405 1.00 63.03 C ATOM 2258 O ASP B 47 13.053 12.235 -3.262 1.00 32.00 O ATOM 2259 CB ASP B 47 12.810 11.014 -6.250 1.00 61.00 C ATOM 2260 CG ASP B 47 14.322 10.994 -6.363 1.00 74.43 C ATOM 2261 OD1 ASP B 47 14.857 11.660 -7.273 1.00 53.32 O ATOM 2262 OD2 ASP B 47 14.969 10.311 -5.542 1.00 4.34 O ATOM 0 H ASP B 47 12.541 13.176 -7.413 1.00 1.43 H new ATOM 0 HA ASP B 47 11.312 12.056 -5.116 1.00 54.30 H new ATOM 0 HB2 ASP B 47 12.477 10.129 -5.707 1.00 61.00 H new ATOM 0 HB3 ASP B 47 12.373 10.959 -7.247 1.00 61.00 H new ATOM 2267 N VAL B 48 14.256 13.442 -4.730 1.00 74.22 N ATOM 2268 CA VAL B 48 15.231 13.880 -3.739 1.00 22.51 C ATOM 2269 C VAL B 48 14.727 15.098 -2.973 1.00 4.50 C ATOM 2270 O VAL B 48 14.858 15.174 -1.751 1.00 11.21 O ATOM 2271 CB VAL B 48 16.583 14.222 -4.393 1.00 0.11 C ATOM 2272 CG1 VAL B 48 17.570 14.724 -3.350 1.00 24.23 C ATOM 2273 CG2 VAL B 48 17.140 13.012 -5.128 1.00 54.21 C ATOM 0 H VAL B 48 14.425 13.794 -5.672 1.00 74.22 H new ATOM 0 HA VAL B 48 15.371 13.051 -3.046 1.00 22.51 H new ATOM 0 HB VAL B 48 16.424 15.019 -5.120 1.00 0.11 H new ATOM 0 HG11 VAL B 48 18.519 14.960 -3.831 1.00 24.23 H new ATOM 0 HG12 VAL B 48 17.172 15.620 -2.874 1.00 24.23 H new ATOM 0 HG13 VAL B 48 17.727 13.952 -2.597 1.00 24.23 H new ATOM 0 HG21 VAL B 48 18.095 13.271 -5.584 1.00 54.21 H new ATOM 0 HG22 VAL B 48 17.285 12.193 -4.423 1.00 54.21 H new ATOM 0 HG23 VAL B 48 16.439 12.703 -5.904 1.00 54.21 H new ATOM 2283 N MET B 49 14.150 16.049 -3.699 1.00 33.43 N ATOM 2284 CA MET B 49 13.623 17.264 -3.087 1.00 40.22 C ATOM 2285 C MET B 49 12.644 16.929 -1.968 1.00 4.22 C ATOM 2286 O MET B 49 12.420 17.733 -1.064 1.00 1.31 O ATOM 2287 CB MET B 49 12.934 18.134 -4.141 1.00 44.14 C ATOM 2288 CG MET B 49 11.461 17.806 -4.330 1.00 51.34 C ATOM 2289 SD MET B 49 10.382 18.869 -3.351 1.00 51.12 S ATOM 2290 CE MET B 49 9.232 17.666 -2.690 1.00 51.15 C ATOM 0 H MET B 49 14.035 16.003 -4.711 1.00 33.43 H new ATOM 0 HA MET B 49 14.459 17.818 -2.660 1.00 40.22 H new ATOM 0 HB2 MET B 49 13.031 19.182 -3.856 1.00 44.14 H new ATOM 0 HB3 MET B 49 13.450 18.014 -5.094 1.00 44.14 H new ATOM 0 HG2 MET B 49 11.203 17.905 -5.384 1.00 51.34 H new ATOM 0 HG3 MET B 49 11.286 16.766 -4.056 1.00 51.34 H new ATOM 0 HE1 MET B 49 8.248 18.123 -2.585 1.00 51.15 H new ATOM 0 HE2 MET B 49 9.167 16.815 -3.367 1.00 51.15 H new ATOM 0 HE3 MET B 49 9.580 17.327 -1.714 1.00 51.15 H new ATOM 2300 N MET B 50 12.062 15.735 -2.034 1.00 73.41 N ATOM 2301 CA MET B 50 11.106 15.294 -1.025 1.00 53.21 C ATOM 2302 C MET B 50 11.797 14.461 0.050 1.00 3.12 C ATOM 2303 O MET B 50 11.315 14.362 1.177 1.00 20.05 O ATOM 2304 CB MET B 50 9.984 14.481 -1.675 1.00 34.20 C ATOM 2305 CG MET B 50 10.455 13.166 -2.272 1.00 34.23 C ATOM 2306 SD MET B 50 9.280 11.824 -2.010 1.00 14.43 S ATOM 2307 CE MET B 50 7.737 12.642 -2.405 1.00 65.11 C ATOM 0 H MET B 50 12.236 15.056 -2.775 1.00 73.41 H new ATOM 0 HA MET B 50 10.677 16.179 -0.555 1.00 53.21 H new ATOM 0 HB2 MET B 50 9.215 14.278 -0.930 1.00 34.20 H new ATOM 0 HB3 MET B 50 9.519 15.080 -2.458 1.00 34.20 H new ATOM 0 HG2 MET B 50 10.620 13.296 -3.342 1.00 34.23 H new ATOM 0 HG3 MET B 50 11.415 12.895 -1.832 1.00 34.23 H new ATOM 0 HE1 MET B 50 6.993 11.898 -2.689 1.00 65.11 H new ATOM 0 HE2 MET B 50 7.384 13.194 -1.534 1.00 65.11 H new ATOM 0 HE3 MET B 50 7.893 13.333 -3.233 1.00 65.11 H new ATOM 2317 N ASN B 51 12.930 13.865 -0.307 1.00 10.42 N ATOM 2318 CA ASN B 51 13.687 13.039 0.628 1.00 73.03 C ATOM 2319 C ASN B 51 14.398 13.903 1.664 1.00 51.31 C ATOM 2320 O ASN B 51 14.811 13.415 2.716 1.00 61.22 O ATOM 2321 CB ASN B 51 14.707 12.183 -0.126 1.00 41.34 C ATOM 2322 CG ASN B 51 14.213 10.768 -0.360 1.00 53.40 C ATOM 2323 OD1 ASN B 51 13.697 10.120 0.550 1.00 40.12 O ATOM 2324 ND2 ASN B 51 14.370 10.282 -1.586 1.00 25.24 N ATOM 0 H ASN B 51 13.344 13.938 -1.236 1.00 10.42 H new ATOM 0 HA ASN B 51 12.986 12.385 1.146 1.00 73.03 H new ATOM 0 HB2 ASN B 51 14.931 12.650 -1.085 1.00 41.34 H new ATOM 0 HB3 ASN B 51 15.639 12.151 0.439 1.00 41.34 H new ATOM 0 HD21 ASN B 51 14.057 9.336 -1.803 1.00 25.24 H new ATOM 0 HD22 ASN B 51 14.803 10.855 -2.310 1.00 25.24 H new ATOM 2331 N ILE B 52 14.537 15.189 1.359 1.00 15.14 N ATOM 2332 CA ILE B 52 15.195 16.121 2.264 1.00 71.33 C ATOM 2333 C ILE B 52 14.185 16.810 3.177 1.00 63.34 C ATOM 2334 O ILE B 52 14.502 17.169 4.312 1.00 22.32 O ATOM 2335 CB ILE B 52 15.985 17.194 1.491 1.00 0.12 C ATOM 2336 CG1 ILE B 52 16.859 16.540 0.418 1.00 22.15 C ATOM 2337 CG2 ILE B 52 16.836 18.017 2.446 1.00 64.33 C ATOM 2338 CD1 ILE B 52 17.485 15.236 0.861 1.00 3.43 C ATOM 0 H ILE B 52 14.202 15.608 0.492 1.00 15.14 H new ATOM 0 HA ILE B 52 15.887 15.536 2.869 1.00 71.33 H new ATOM 0 HB ILE B 52 15.277 17.862 1.000 1.00 0.12 H new ATOM 0 HG12 ILE B 52 16.255 16.360 -0.471 1.00 22.15 H new ATOM 0 HG13 ILE B 52 17.649 17.234 0.132 1.00 22.15 H new ATOM 0 HG21 ILE B 52 17.388 18.771 1.884 1.00 64.33 H new ATOM 0 HG22 ILE B 52 16.192 18.508 3.176 1.00 64.33 H new ATOM 0 HG23 ILE B 52 17.538 17.363 2.963 1.00 64.33 H new ATOM 0 HD11 ILE B 52 18.090 14.829 0.051 1.00 3.43 H new ATOM 0 HD12 ILE B 52 18.116 15.413 1.732 1.00 3.43 H new ATOM 0 HD13 ILE B 52 16.700 14.525 1.120 1.00 3.43 H new ATOM 2350 N LEU B 53 12.969 16.988 2.674 1.00 63.51 N ATOM 2351 CA LEU B 53 11.911 17.632 3.445 1.00 30.02 C ATOM 2352 C LEU B 53 11.149 16.610 4.284 1.00 3.01 C ATOM 2353 O LEU B 53 10.618 16.937 5.344 1.00 32.54 O ATOM 2354 CB LEU B 53 10.944 18.361 2.510 1.00 71.32 C ATOM 2355 CG LEU B 53 11.087 19.883 2.452 1.00 24.34 C ATOM 2356 CD1 LEU B 53 12.554 20.279 2.384 1.00 64.42 C ATOM 2357 CD2 LEU B 53 10.324 20.444 1.260 1.00 70.41 C ATOM 0 H LEU B 53 12.691 16.696 1.737 1.00 63.51 H new ATOM 0 HA LEU B 53 12.374 18.355 4.117 1.00 30.02 H new ATOM 0 HB2 LEU B 53 11.075 17.965 1.503 1.00 71.32 H new ATOM 0 HB3 LEU B 53 9.925 18.123 2.816 1.00 71.32 H new ATOM 0 HG LEU B 53 10.661 20.305 3.362 1.00 24.34 H new ATOM 0 HD11 LEU B 53 12.636 21.365 2.343 1.00 64.42 H new ATOM 0 HD12 LEU B 53 13.072 19.909 3.269 1.00 64.42 H new ATOM 0 HD13 LEU B 53 13.006 19.847 1.491 1.00 64.42 H new ATOM 0 HD21 LEU B 53 10.436 21.528 1.234 1.00 70.41 H new ATOM 0 HD22 LEU B 53 10.721 20.016 0.340 1.00 70.41 H new ATOM 0 HD23 LEU B 53 9.268 20.191 1.352 1.00 70.41 H new ATOM 2369 N GLN B 54 11.106 15.372 3.802 1.00 45.30 N ATOM 2370 CA GLN B 54 10.411 14.302 4.511 1.00 4.44 C ATOM 2371 C GLN B 54 11.039 14.058 5.878 1.00 73.55 C ATOM 2372 O GLN B 54 10.430 13.441 6.752 1.00 22.03 O ATOM 2373 CB GLN B 54 10.439 13.015 3.685 1.00 31.43 C ATOM 2374 CG GLN B 54 11.829 12.414 3.542 1.00 54.24 C ATOM 2375 CD GLN B 54 11.810 11.055 2.870 1.00 53.44 C ATOM 2376 OE1 GLN B 54 12.469 10.117 3.321 1.00 62.11 O ATOM 2377 NE2 GLN B 54 11.053 10.941 1.785 1.00 32.34 N ATOM 0 H GLN B 54 11.543 15.085 2.926 1.00 45.30 H new ATOM 0 HA GLN B 54 9.375 14.609 4.658 1.00 4.44 H new ATOM 0 HB2 GLN B 54 9.781 12.281 4.149 1.00 31.43 H new ATOM 0 HB3 GLN B 54 10.037 13.221 2.693 1.00 31.43 H new ATOM 0 HG2 GLN B 54 12.456 13.092 2.964 1.00 54.24 H new ATOM 0 HG3 GLN B 54 12.284 12.321 4.528 1.00 54.24 H new ATOM 0 HE21 GLN B 54 10.523 11.744 1.446 1.00 32.34 H new ATOM 0 HE22 GLN B 54 11.001 10.050 1.291 1.00 32.34 H new ATOM 2386 N THR B 55 12.264 14.544 6.058 1.00 55.12 N ATOM 2387 CA THR B 55 12.975 14.377 7.319 1.00 13.51 C ATOM 2388 C THR B 55 12.215 15.026 8.469 1.00 42.11 C ATOM 2389 O THR B 55 11.442 15.966 8.283 1.00 72.25 O ATOM 2390 CB THR B 55 14.391 14.980 7.249 1.00 53.41 C ATOM 2391 OG1 THR B 55 14.327 16.325 6.760 1.00 50.54 O ATOM 2392 CG2 THR B 55 15.290 14.149 6.346 1.00 63.21 C ATOM 0 H THR B 55 12.784 15.057 5.346 1.00 55.12 H new ATOM 0 HA THR B 55 13.053 13.305 7.498 1.00 13.51 H new ATOM 0 HB THR B 55 14.812 14.979 8.254 1.00 53.41 H new ATOM 0 HG1 THR B 55 14.426 16.324 5.785 1.00 50.54 H new ATOM 0 HG21 THR B 55 16.284 14.595 6.313 1.00 63.21 H new ATOM 0 HG22 THR B 55 15.360 13.134 6.737 1.00 63.21 H new ATOM 0 HG23 THR B 55 14.871 14.122 5.340 1.00 63.21 H new ATOM 2400 N PRO B 56 12.436 14.514 9.689 1.00 31.25 N ATOM 2401 CA PRO B 56 11.781 15.030 10.895 1.00 41.22 C ATOM 2402 C PRO B 56 12.283 16.418 11.278 1.00 3.50 C ATOM 2403 O PRO B 56 11.550 17.213 11.864 1.00 61.54 O ATOM 2404 CB PRO B 56 12.162 14.009 11.970 1.00 43.23 C ATOM 2405 CG PRO B 56 13.436 13.406 11.487 1.00 22.11 C ATOM 2406 CD PRO B 56 13.344 13.393 9.985 1.00 60.25 C ATOM 0 HA PRO B 56 10.706 15.144 10.758 1.00 41.22 H new ATOM 0 HB2 PRO B 56 12.294 14.487 12.941 1.00 43.23 H new ATOM 0 HB3 PRO B 56 11.387 13.252 12.090 1.00 43.23 H new ATOM 0 HG2 PRO B 56 14.295 13.989 11.820 1.00 22.11 H new ATOM 0 HG3 PRO B 56 13.564 12.397 11.879 1.00 22.11 H new ATOM 0 HD2 PRO B 56 14.320 13.534 9.521 1.00 60.25 H new ATOM 0 HD3 PRO B 56 12.949 12.447 9.615 1.00 60.25 H new ATOM 2414 N GLN B 57 13.538 16.702 10.943 1.00 42.31 N ATOM 2415 CA GLN B 57 14.137 17.995 11.254 1.00 55.32 C ATOM 2416 C GLN B 57 13.631 19.072 10.300 1.00 1.51 C ATOM 2417 O GLN B 57 13.468 20.230 10.684 1.00 23.51 O ATOM 2418 CB GLN B 57 15.662 17.906 11.178 1.00 61.00 C ATOM 2419 CG GLN B 57 16.190 17.701 9.768 1.00 72.54 C ATOM 2420 CD GLN B 57 17.639 17.253 9.746 1.00 74.05 C ATOM 2421 OE1 GLN B 57 18.321 17.271 10.772 1.00 63.42 O ATOM 2422 NE2 GLN B 57 18.116 16.848 8.576 1.00 41.13 N ATOM 0 H GLN B 57 14.159 16.055 10.457 1.00 42.31 H new ATOM 0 HA GLN B 57 13.846 18.267 12.269 1.00 55.32 H new ATOM 0 HB2 GLN B 57 16.092 18.820 11.589 1.00 61.00 H new ATOM 0 HB3 GLN B 57 16.001 17.083 11.807 1.00 61.00 H new ATOM 0 HG2 GLN B 57 15.576 16.958 9.259 1.00 72.54 H new ATOM 0 HG3 GLN B 57 16.093 18.632 9.209 1.00 72.54 H new ATOM 0 HE21 GLN B 57 17.515 16.850 7.752 1.00 41.13 H new ATOM 0 HE22 GLN B 57 19.084 16.535 8.501 1.00 41.13 H new ATOM 2431 N PHE B 58 13.386 18.683 9.053 1.00 72.25 N ATOM 2432 CA PHE B 58 12.899 19.615 8.043 1.00 73.52 C ATOM 2433 C PHE B 58 11.433 19.348 7.715 1.00 1.21 C ATOM 2434 O PHE B 58 10.988 19.558 6.587 1.00 54.13 O ATOM 2435 CB PHE B 58 13.745 19.510 6.771 1.00 21.34 C ATOM 2436 CG PHE B 58 15.190 19.862 6.982 1.00 1.42 C ATOM 2437 CD1 PHE B 58 15.547 21.092 7.511 1.00 54.32 C ATOM 2438 CD2 PHE B 58 16.191 18.963 6.652 1.00 51.33 C ATOM 2439 CE1 PHE B 58 16.876 21.419 7.704 1.00 23.24 C ATOM 2440 CE2 PHE B 58 17.521 19.284 6.843 1.00 4.43 C ATOM 2441 CZ PHE B 58 17.864 20.513 7.372 1.00 13.33 C ATOM 0 H PHE B 58 13.517 17.729 8.718 1.00 72.25 H new ATOM 0 HA PHE B 58 12.984 20.624 8.446 1.00 73.52 H new ATOM 0 HB2 PHE B 58 13.680 18.493 6.384 1.00 21.34 H new ATOM 0 HB3 PHE B 58 13.326 20.169 6.010 1.00 21.34 H new ATOM 0 HD1 PHE B 58 14.778 21.803 7.775 1.00 54.32 H new ATOM 0 HD2 PHE B 58 15.928 18.000 6.240 1.00 51.33 H new ATOM 0 HE1 PHE B 58 17.142 22.382 8.114 1.00 23.24 H new ATOM 0 HE2 PHE B 58 18.292 18.575 6.579 1.00 4.43 H new ATOM 0 HZ PHE B 58 18.903 20.765 7.526 1.00 13.33 H new ATOM 2451 N THR B 59 10.686 18.882 8.712 1.00 3.42 N ATOM 2452 CA THR B 59 9.271 18.583 8.531 1.00 32.14 C ATOM 2453 C THR B 59 8.432 19.855 8.564 1.00 21.44 C ATOM 2454 O THR B 59 7.473 19.998 7.806 1.00 24.22 O ATOM 2455 CB THR B 59 8.759 17.616 9.614 1.00 53.35 C ATOM 2456 OG1 THR B 59 7.369 17.339 9.407 1.00 50.44 O ATOM 2457 CG2 THR B 59 8.963 18.201 11.004 1.00 63.52 C ATOM 0 H THR B 59 11.038 18.704 9.653 1.00 3.42 H new ATOM 0 HA THR B 59 9.170 18.110 7.554 1.00 32.14 H new ATOM 0 HB THR B 59 9.329 16.690 9.540 1.00 53.35 H new ATOM 0 HG1 THR B 59 7.052 16.722 10.099 1.00 50.44 H new ATOM 0 HG21 THR B 59 8.593 17.499 11.752 1.00 63.52 H new ATOM 0 HG22 THR B 59 10.025 18.383 11.170 1.00 63.52 H new ATOM 0 HG23 THR B 59 8.417 19.141 11.087 1.00 63.52 H new ATOM 2465 N LYS B 60 8.799 20.778 9.446 1.00 13.34 N ATOM 2466 CA LYS B 60 8.082 22.041 9.578 1.00 2.41 C ATOM 2467 C LYS B 60 8.291 22.916 8.346 1.00 33.42 C ATOM 2468 O LYS B 60 7.525 23.846 8.096 1.00 21.23 O ATOM 2469 CB LYS B 60 8.545 22.786 10.831 1.00 14.22 C ATOM 2470 CG LYS B 60 10.052 22.967 10.909 1.00 61.42 C ATOM 2471 CD LYS B 60 10.469 23.603 12.225 1.00 54.34 C ATOM 2472 CE LYS B 60 10.065 22.744 13.412 1.00 31.41 C ATOM 2473 NZ LYS B 60 8.999 23.389 14.227 1.00 31.11 N ATOM 0 H LYS B 60 9.590 20.675 10.081 1.00 13.34 H new ATOM 0 HA LYS B 60 7.019 21.819 9.668 1.00 2.41 H new ATOM 0 HB2 LYS B 60 8.068 23.766 10.858 1.00 14.22 H new ATOM 0 HB3 LYS B 60 8.207 22.242 11.713 1.00 14.22 H new ATOM 0 HG2 LYS B 60 10.542 21.999 10.800 1.00 61.42 H new ATOM 0 HG3 LYS B 60 10.388 23.590 10.080 1.00 61.42 H new ATOM 0 HD2 LYS B 60 11.549 23.751 12.233 1.00 54.34 H new ATOM 0 HD3 LYS B 60 10.012 24.588 12.315 1.00 54.34 H new ATOM 0 HE2 LYS B 60 9.714 21.775 13.056 1.00 31.41 H new ATOM 0 HE3 LYS B 60 10.937 22.557 14.038 1.00 31.41 H new ATOM 0 HZ1 LYS B 60 8.752 22.772 15.026 1.00 31.11 H new ATOM 0 HZ2 LYS B 60 9.342 24.302 14.588 1.00 31.11 H new ATOM 0 HZ3 LYS B 60 8.157 23.545 13.637 1.00 31.11 H new ATOM 2487 N TYR B 61 9.333 22.611 7.580 1.00 63.31 N ATOM 2488 CA TYR B 61 9.642 23.370 6.374 1.00 12.35 C ATOM 2489 C TYR B 61 9.352 22.548 5.123 1.00 43.03 C ATOM 2490 O TYR B 61 10.256 22.230 4.350 1.00 15.42 O ATOM 2491 CB TYR B 61 11.110 23.805 6.383 1.00 51.41 C ATOM 2492 CG TYR B 61 11.606 24.236 7.745 1.00 52.31 C ATOM 2493 CD1 TYR B 61 11.191 25.436 8.309 1.00 24.22 C ATOM 2494 CD2 TYR B 61 12.488 23.443 8.468 1.00 43.25 C ATOM 2495 CE1 TYR B 61 11.642 25.835 9.552 1.00 72.43 C ATOM 2496 CE2 TYR B 61 12.943 23.833 9.712 1.00 20.34 C ATOM 2497 CZ TYR B 61 12.518 25.030 10.251 1.00 62.03 C ATOM 2498 OH TYR B 61 12.969 25.422 11.490 1.00 73.32 O ATOM 0 H TYR B 61 9.977 21.844 7.773 1.00 63.31 H new ATOM 0 HA TYR B 61 9.006 24.255 6.360 1.00 12.35 H new ATOM 0 HB2 TYR B 61 11.727 22.980 6.025 1.00 51.41 H new ATOM 0 HB3 TYR B 61 11.240 24.628 5.681 1.00 51.41 H new ATOM 0 HD1 TYR B 61 10.504 26.068 7.766 1.00 24.22 H new ATOM 0 HD2 TYR B 61 12.824 22.505 8.050 1.00 43.25 H new ATOM 0 HE1 TYR B 61 11.311 26.772 9.975 1.00 72.43 H new ATOM 0 HE2 TYR B 61 13.628 23.204 10.261 1.00 20.34 H new ATOM 0 HH TYR B 61 13.578 24.742 11.847 1.00 73.32 H new ATOM 2508 N THR B 62 8.081 22.209 4.928 1.00 34.42 N ATOM 2509 CA THR B 62 7.668 21.424 3.771 1.00 72.42 C ATOM 2510 C THR B 62 7.142 22.322 2.657 1.00 31.24 C ATOM 2511 O THR B 62 7.781 22.474 1.615 1.00 31.52 O ATOM 2512 CB THR B 62 6.581 20.401 4.146 1.00 33.53 C ATOM 2513 OG1 THR B 62 6.265 20.508 5.539 1.00 23.01 O ATOM 2514 CG2 THR B 62 7.040 18.984 3.833 1.00 4.41 C ATOM 0 H THR B 62 7.320 22.466 5.557 1.00 34.42 H new ATOM 0 HA THR B 62 8.551 20.892 3.418 1.00 72.42 H new ATOM 0 HB THR B 62 5.691 20.618 3.555 1.00 33.53 H new ATOM 0 HG1 THR B 62 7.026 20.197 6.072 1.00 23.01 H new ATOM 0 HG21 THR B 62 6.255 18.279 4.106 1.00 4.41 H new ATOM 0 HG22 THR B 62 7.251 18.897 2.767 1.00 4.41 H new ATOM 0 HG23 THR B 62 7.943 18.760 4.401 1.00 4.41 H new ATOM 2522 N LEU B 63 5.976 22.916 2.883 1.00 12.13 N ATOM 2523 CA LEU B 63 5.364 23.801 1.897 1.00 1.11 C ATOM 2524 C LEU B 63 5.511 25.262 2.312 1.00 22.24 C ATOM 2525 O LEU B 63 5.047 26.164 1.615 1.00 42.13 O ATOM 2526 CB LEU B 63 3.885 23.455 1.722 1.00 73.21 C ATOM 2527 CG LEU B 63 2.910 24.186 2.646 1.00 75.31 C ATOM 2528 CD1 LEU B 63 2.270 25.361 1.924 1.00 21.21 C ATOM 2529 CD2 LEU B 63 1.845 23.230 3.162 1.00 54.43 C ATOM 0 H LEU B 63 5.435 22.801 3.740 1.00 12.13 H new ATOM 0 HA LEU B 63 5.879 23.659 0.947 1.00 1.11 H new ATOM 0 HB2 LEU B 63 3.603 23.665 0.690 1.00 73.21 H new ATOM 0 HB3 LEU B 63 3.763 22.383 1.874 1.00 73.21 H new ATOM 0 HG LEU B 63 3.468 24.571 3.500 1.00 75.31 H new ATOM 0 HD11 LEU B 63 1.579 25.869 2.597 1.00 21.21 H new ATOM 0 HD12 LEU B 63 3.045 26.058 1.605 1.00 21.21 H new ATOM 0 HD13 LEU B 63 1.726 24.999 1.051 1.00 21.21 H new ATOM 0 HD21 LEU B 63 1.160 23.768 3.818 1.00 54.43 H new ATOM 0 HD22 LEU B 63 1.290 22.815 2.321 1.00 54.43 H new ATOM 0 HD23 LEU B 63 2.320 22.422 3.718 1.00 54.43 H new ATOM 2541 N TRP B 64 6.161 25.487 3.448 1.00 1.21 N ATOM 2542 CA TRP B 64 6.371 26.839 3.954 1.00 43.23 C ATOM 2543 C TRP B 64 6.988 27.730 2.883 1.00 72.02 C ATOM 2544 O TRP B 64 6.823 28.950 2.906 1.00 64.33 O ATOM 2545 CB TRP B 64 7.270 26.808 5.191 1.00 62.22 C ATOM 2546 CG TRP B 64 8.708 27.103 4.887 1.00 4.30 C ATOM 2547 CD1 TRP B 64 9.424 28.194 5.291 1.00 74.40 C ATOM 2548 CD2 TRP B 64 9.603 26.296 4.114 1.00 4.15 C ATOM 2549 NE1 TRP B 64 10.711 28.114 4.815 1.00 54.00 N ATOM 2550 CE2 TRP B 64 10.846 26.959 4.090 1.00 33.35 C ATOM 2551 CE3 TRP B 64 9.476 25.079 3.440 1.00 30.31 C ATOM 2552 CZ2 TRP B 64 11.952 26.444 3.419 1.00 50.25 C ATOM 2553 CZ3 TRP B 64 10.575 24.570 2.773 1.00 42.23 C ATOM 2554 CH2 TRP B 64 11.799 25.251 2.767 1.00 30.42 C ATOM 0 H TRP B 64 6.552 24.751 4.036 1.00 1.21 H new ATOM 0 HA TRP B 64 5.401 27.253 4.229 1.00 43.23 H new ATOM 0 HB2 TRP B 64 6.903 27.534 5.917 1.00 62.22 H new ATOM 0 HB3 TRP B 64 7.199 25.826 5.659 1.00 62.22 H new ATOM 0 HD1 TRP B 64 9.036 29.001 5.895 1.00 74.40 H new ATOM 0 HE1 TRP B 64 11.446 28.803 4.975 1.00 54.00 H new ATOM 0 HE3 TRP B 64 8.537 24.546 3.440 1.00 30.31 H new ATOM 0 HZ2 TRP B 64 12.897 26.967 3.413 1.00 50.25 H new ATOM 0 HZ3 TRP B 64 10.488 23.631 2.247 1.00 42.23 H new ATOM 0 HH2 TRP B 64 12.639 24.826 2.237 1.00 30.42 H new ATOM 2565 N PHE B 65 7.701 27.115 1.945 1.00 3.22 N ATOM 2566 CA PHE B 65 8.344 27.854 0.865 1.00 51.24 C ATOM 2567 C PHE B 65 7.878 27.345 -0.495 1.00 44.13 C ATOM 2568 O PHE B 65 7.817 28.100 -1.465 1.00 61.53 O ATOM 2569 CB PHE B 65 9.866 27.735 0.972 1.00 33.14 C ATOM 2570 CG PHE B 65 10.533 28.992 1.453 1.00 11.11 C ATOM 2571 CD1 PHE B 65 9.944 29.773 2.435 1.00 22.30 C ATOM 2572 CD2 PHE B 65 11.749 29.393 0.925 1.00 2.15 C ATOM 2573 CE1 PHE B 65 10.555 30.930 2.880 1.00 2.32 C ATOM 2574 CE2 PHE B 65 12.365 30.549 1.366 1.00 4.54 C ATOM 2575 CZ PHE B 65 11.767 31.319 2.344 1.00 1.24 C ATOM 0 H PHE B 65 7.848 26.106 1.911 1.00 3.22 H new ATOM 0 HA PHE B 65 8.061 28.903 0.958 1.00 51.24 H new ATOM 0 HB2 PHE B 65 10.112 26.920 1.652 1.00 33.14 H new ATOM 0 HB3 PHE B 65 10.271 27.469 -0.004 1.00 33.14 H new ATOM 0 HD1 PHE B 65 8.996 29.474 2.857 1.00 22.30 H new ATOM 0 HD2 PHE B 65 12.221 28.795 0.160 1.00 2.15 H new ATOM 0 HE1 PHE B 65 10.085 31.529 3.646 1.00 2.32 H new ATOM 0 HE2 PHE B 65 13.313 30.850 0.946 1.00 4.54 H new ATOM 0 HZ PHE B 65 12.246 32.223 2.689 1.00 1.24 H new ATOM 2585 N MET B 66 7.551 26.058 -0.559 1.00 55.55 N ATOM 2586 CA MET B 66 7.089 25.448 -1.801 1.00 63.34 C ATOM 2587 C MET B 66 5.944 26.251 -2.409 1.00 2.10 C ATOM 2588 O MET B 66 5.785 26.300 -3.629 1.00 23.20 O ATOM 2589 CB MET B 66 6.641 24.007 -1.549 1.00 52.14 C ATOM 2590 CG MET B 66 7.039 23.044 -2.656 1.00 45.22 C ATOM 2591 SD MET B 66 5.664 22.018 -3.212 1.00 33.32 S ATOM 2592 CE MET B 66 4.669 23.228 -4.081 1.00 54.53 C ATOM 0 H MET B 66 7.597 25.418 0.234 1.00 55.55 H new ATOM 0 HA MET B 66 7.920 25.445 -2.507 1.00 63.34 H new ATOM 0 HB2 MET B 66 7.068 23.662 -0.607 1.00 52.14 H new ATOM 0 HB3 MET B 66 5.557 23.987 -1.434 1.00 52.14 H new ATOM 0 HG2 MET B 66 7.430 23.610 -3.501 1.00 45.22 H new ATOM 0 HG3 MET B 66 7.846 22.402 -2.302 1.00 45.22 H new ATOM 0 HE1 MET B 66 4.309 22.799 -5.016 1.00 54.53 H new ATOM 0 HE2 MET B 66 3.819 23.512 -3.461 1.00 54.53 H new ATOM 0 HE3 MET B 66 5.273 24.110 -4.295 1.00 54.53 H new ATOM 2602 N THR B 67 5.147 26.880 -1.550 1.00 4.01 N ATOM 2603 CA THR B 67 4.016 27.679 -2.003 1.00 64.01 C ATOM 2604 C THR B 67 3.979 29.030 -1.297 1.00 4.11 C ATOM 2605 O THR B 67 3.038 29.804 -1.465 1.00 25.32 O ATOM 2606 CB THR B 67 2.680 26.950 -1.762 1.00 50.32 C ATOM 2607 OG1 THR B 67 2.804 25.571 -2.125 1.00 43.04 O ATOM 2608 CG2 THR B 67 1.560 27.594 -2.566 1.00 73.01 C ATOM 0 H THR B 67 5.264 26.851 -0.537 1.00 4.01 H new ATOM 0 HA THR B 67 4.148 27.835 -3.074 1.00 64.01 H new ATOM 0 HB THR B 67 2.434 27.026 -0.703 1.00 50.32 H new ATOM 0 HG1 THR B 67 1.952 25.113 -1.968 1.00 43.04 H new ATOM 0 HG21 THR B 67 0.627 27.063 -2.380 1.00 73.01 H new ATOM 0 HG22 THR B 67 1.450 28.636 -2.267 1.00 73.01 H new ATOM 0 HG23 THR B 67 1.800 27.545 -3.628 1.00 73.01 H new ATOM 2616 N ASN B 68 5.010 29.306 -0.504 1.00 11.41 N ATOM 2617 CA ASN B 68 5.095 30.565 0.229 1.00 74.22 C ATOM 2618 C ASN B 68 3.948 30.691 1.228 1.00 14.40 C ATOM 2619 O ASN B 68 3.413 31.779 1.437 1.00 0.14 O ATOM 2620 CB ASN B 68 5.072 31.747 -0.743 1.00 72.14 C ATOM 2621 CG ASN B 68 5.858 31.468 -2.010 1.00 24.42 C ATOM 2622 OD1 ASN B 68 6.957 30.916 -1.964 1.00 31.00 O ATOM 2623 ND2 ASN B 68 5.295 31.852 -3.150 1.00 25.24 N ATOM 0 H ASN B 68 5.797 28.676 -0.353 1.00 11.41 H new ATOM 0 HA ASN B 68 6.036 30.574 0.780 1.00 74.22 H new ATOM 0 HB2 ASN B 68 4.039 31.980 -1.003 1.00 72.14 H new ATOM 0 HB3 ASN B 68 5.483 32.628 -0.250 1.00 72.14 H new ATOM 0 HD21 ASN B 68 5.776 31.693 -4.035 1.00 25.24 H new ATOM 0 HD22 ASN B 68 4.382 32.306 -3.140 1.00 25.24 H new ATOM 2630 N GLN B 69 3.579 29.571 1.841 1.00 42.21 N ATOM 2631 CA GLN B 69 2.496 29.557 2.818 1.00 70.13 C ATOM 2632 C GLN B 69 2.896 28.772 4.062 1.00 10.34 C ATOM 2633 O GLN B 69 3.142 27.567 3.995 1.00 41.40 O ATOM 2634 CB GLN B 69 1.233 28.952 2.201 1.00 35.41 C ATOM 2635 CG GLN B 69 -0.049 29.389 2.891 1.00 60.42 C ATOM 2636 CD GLN B 69 -0.553 30.728 2.390 1.00 22.34 C ATOM 2637 OE1 GLN B 69 -1.023 30.843 1.257 1.00 42.13 O ATOM 2638 NE2 GLN B 69 -0.460 31.750 3.234 1.00 14.11 N ATOM 0 H GLN B 69 4.013 28.662 1.679 1.00 42.21 H new ATOM 0 HA GLN B 69 2.291 30.586 3.112 1.00 70.13 H new ATOM 0 HB2 GLN B 69 1.183 29.231 1.149 1.00 35.41 H new ATOM 0 HB3 GLN B 69 1.304 27.865 2.239 1.00 35.41 H new ATOM 0 HG2 GLN B 69 -0.818 28.633 2.733 1.00 60.42 H new ATOM 0 HG3 GLN B 69 0.123 29.449 3.966 1.00 60.42 H new ATOM 0 HE21 GLN B 69 -0.064 31.610 4.163 1.00 14.11 H new ATOM 0 HE22 GLN B 69 -0.785 32.675 2.953 1.00 14.11 H new ATOM 2647 N ILE B 70 2.959 29.462 5.195 1.00 24.34 N ATOM 2648 CA ILE B 70 3.330 28.828 6.456 1.00 24.43 C ATOM 2649 C ILE B 70 2.117 28.192 7.127 1.00 41.10 C ATOM 2650 O ILE B 70 1.088 28.840 7.315 1.00 43.13 O ATOM 2651 CB ILE B 70 3.969 29.837 7.426 1.00 12.12 C ATOM 2652 CG1 ILE B 70 3.046 31.039 7.630 1.00 1.24 C ATOM 2653 CG2 ILE B 70 5.327 30.287 6.904 1.00 40.03 C ATOM 2654 CD1 ILE B 70 2.529 31.171 9.045 1.00 23.21 C ATOM 0 H ILE B 70 2.758 30.459 5.267 1.00 24.34 H new ATOM 0 HA ILE B 70 4.060 28.054 6.219 1.00 24.43 H new ATOM 0 HB ILE B 70 4.115 29.349 8.389 1.00 12.12 H new ATOM 0 HG12 ILE B 70 3.583 31.949 7.362 1.00 1.24 H new ATOM 0 HG13 ILE B 70 2.199 30.956 6.949 1.00 1.24 H new ATOM 0 HG21 ILE B 70 5.766 31.001 7.601 1.00 40.03 H new ATOM 0 HG22 ILE B 70 5.984 29.423 6.807 1.00 40.03 H new ATOM 0 HG23 ILE B 70 5.204 30.760 5.930 1.00 40.03 H new ATOM 0 HD11 ILE B 70 1.881 32.045 9.116 1.00 23.21 H new ATOM 0 HD12 ILE B 70 1.964 30.278 9.311 1.00 23.21 H new ATOM 0 HD13 ILE B 70 3.369 31.286 9.730 1.00 23.21 H new ATOM 2666 N ALA B 71 2.247 26.920 7.489 1.00 31.41 N ATOM 2667 CA ALA B 71 1.163 26.197 8.144 1.00 42.14 C ATOM 2668 C ALA B 71 1.526 25.852 9.583 1.00 13.21 C ATOM 2669 O ALA B 71 1.852 24.710 9.910 1.00 44.11 O ATOM 2670 CB ALA B 71 0.824 24.935 7.365 1.00 21.42 C ATOM 0 H ALA B 71 3.092 26.369 7.340 1.00 31.41 H new ATOM 0 HA ALA B 71 0.286 26.844 8.163 1.00 42.14 H new ATOM 0 HB1 ALA B 71 0.013 24.405 7.865 1.00 21.42 H new ATOM 0 HB2 ALA B 71 0.513 25.203 6.355 1.00 21.42 H new ATOM 0 HB3 ALA B 71 1.702 24.291 7.316 1.00 21.42 H new ATOM 2676 N PRO B 72 1.471 26.859 10.467 1.00 64.10 N ATOM 2677 CA PRO B 72 1.791 26.685 11.887 1.00 11.04 C ATOM 2678 C PRO B 72 0.743 25.855 12.620 1.00 33.42 C ATOM 2679 O PRO B 72 0.966 25.411 13.746 1.00 25.43 O ATOM 2680 CB PRO B 72 1.810 28.119 12.424 1.00 2.43 C ATOM 2681 CG PRO B 72 0.924 28.881 11.501 1.00 51.11 C ATOM 2682 CD PRO B 72 1.091 28.245 10.148 1.00 31.23 C ATOM 0 HA PRO B 72 2.729 26.149 12.031 1.00 11.04 H new ATOM 0 HB2 PRO B 72 1.444 28.162 13.450 1.00 2.43 H new ATOM 0 HB3 PRO B 72 2.821 28.527 12.429 1.00 2.43 H new ATOM 0 HG2 PRO B 72 -0.114 28.834 11.829 1.00 51.11 H new ATOM 0 HG3 PRO B 72 1.202 29.935 11.474 1.00 51.11 H new ATOM 0 HD2 PRO B 72 0.169 28.286 9.568 1.00 31.23 H new ATOM 0 HD3 PRO B 72 1.859 28.747 9.560 1.00 31.23 H new ATOM 2690 N GLU B 73 -0.401 25.649 11.974 1.00 4.23 N ATOM 2691 CA GLU B 73 -1.483 24.873 12.566 1.00 61.34 C ATOM 2692 C GLU B 73 -0.987 23.502 13.015 1.00 54.44 C ATOM 2693 O GLU B 73 -1.454 22.956 14.014 1.00 31.22 O ATOM 2694 CB GLU B 73 -2.630 24.709 11.566 1.00 60.13 C ATOM 2695 CG GLU B 73 -3.157 26.027 11.023 1.00 64.33 C ATOM 2696 CD GLU B 73 -3.403 27.050 12.114 1.00 11.13 C ATOM 2697 OE1 GLU B 73 -3.926 26.667 13.182 1.00 33.02 O ATOM 2698 OE2 GLU B 73 -3.072 28.236 11.901 1.00 41.10 O ATOM 0 H GLU B 73 -0.601 26.009 11.041 1.00 4.23 H new ATOM 0 HA GLU B 73 -1.846 25.414 13.440 1.00 61.34 H new ATOM 0 HB2 GLU B 73 -2.290 24.093 10.734 1.00 60.13 H new ATOM 0 HB3 GLU B 73 -3.447 24.172 12.048 1.00 60.13 H new ATOM 0 HG2 GLU B 73 -2.443 26.431 10.305 1.00 64.33 H new ATOM 0 HG3 GLU B 73 -4.086 25.847 10.482 1.00 64.33 H new ATOM 2705 N SER B 74 -0.036 22.949 12.268 1.00 3.13 N ATOM 2706 CA SER B 74 0.523 21.640 12.586 1.00 54.43 C ATOM 2707 C SER B 74 1.963 21.767 13.073 1.00 41.34 C ATOM 2708 O SER B 74 2.542 20.813 13.590 1.00 62.25 O ATOM 2709 CB SER B 74 0.465 20.727 11.360 1.00 12.33 C ATOM 2710 OG SER B 74 -0.853 20.645 10.846 1.00 21.43 O ATOM 0 H SER B 74 0.363 23.387 11.438 1.00 3.13 H new ATOM 0 HA SER B 74 -0.074 21.202 13.386 1.00 54.43 H new ATOM 0 HB2 SER B 74 1.136 21.105 10.589 1.00 12.33 H new ATOM 0 HB3 SER B 74 0.817 19.731 11.628 1.00 12.33 H new ATOM 0 HG SER B 74 -0.862 20.057 10.062 1.00 21.43 H new ATOM 2716 N GLY B 75 2.536 22.955 12.903 1.00 32.12 N ATOM 2717 CA GLY B 75 3.904 23.187 13.329 1.00 40.12 C ATOM 2718 C GLY B 75 4.816 23.552 12.175 1.00 61.53 C ATOM 2719 O GLY B 75 6.038 23.448 12.286 1.00 74.03 O ATOM 0 H GLY B 75 2.077 23.761 12.478 1.00 32.12 H new ATOM 0 HA2 GLY B 75 3.920 23.988 14.068 1.00 40.12 H new ATOM 0 HA3 GLY B 75 4.285 22.292 13.820 1.00 40.12 H new ATOM 2723 N GLN B 76 4.223 23.980 11.066 1.00 5.14 N ATOM 2724 CA GLN B 76 4.992 24.361 9.887 1.00 30.43 C ATOM 2725 C GLN B 76 5.176 25.874 9.821 1.00 1.04 C ATOM 2726 O GLN B 76 4.210 26.620 9.660 1.00 20.13 O ATOM 2727 CB GLN B 76 4.298 23.864 8.617 1.00 34.10 C ATOM 2728 CG GLN B 76 3.577 22.537 8.797 1.00 32.22 C ATOM 2729 CD GLN B 76 4.503 21.427 9.254 1.00 51.40 C ATOM 2730 OE1 GLN B 76 4.910 21.382 10.416 1.00 11.02 O ATOM 2731 NE2 GLN B 76 4.841 20.525 8.342 1.00 72.22 N ATOM 0 H GLN B 76 3.213 24.072 10.959 1.00 5.14 H new ATOM 0 HA GLN B 76 5.976 23.897 9.961 1.00 30.43 H new ATOM 0 HB2 GLN B 76 3.581 24.616 8.287 1.00 34.10 H new ATOM 0 HB3 GLN B 76 5.039 23.761 7.825 1.00 34.10 H new ATOM 0 HG2 GLN B 76 2.775 22.659 9.525 1.00 32.22 H new ATOM 0 HG3 GLN B 76 3.110 22.251 7.855 1.00 32.22 H new ATOM 0 HE21 GLN B 76 4.480 20.601 7.391 1.00 72.22 H new ATOM 0 HE22 GLN B 76 5.462 19.755 8.592 1.00 72.22 H new ATOM 2740 N ILE B 77 6.422 26.319 9.947 1.00 41.52 N ATOM 2741 CA ILE B 77 6.732 27.742 9.902 1.00 50.31 C ATOM 2742 C ILE B 77 8.077 27.991 9.226 1.00 5.22 C ATOM 2743 O ILE B 77 8.796 27.051 8.889 1.00 61.33 O ATOM 2744 CB ILE B 77 6.757 28.359 11.312 1.00 44.11 C ATOM 2745 CG1 ILE B 77 8.063 28.002 12.025 1.00 70.24 C ATOM 2746 CG2 ILE B 77 5.559 27.881 12.120 1.00 64.41 C ATOM 2747 CD1 ILE B 77 8.279 26.513 12.181 1.00 2.32 C ATOM 0 H ILE B 77 7.233 25.714 10.081 1.00 41.52 H new ATOM 0 HA ILE B 77 5.942 28.218 9.321 1.00 50.31 H new ATOM 0 HB ILE B 77 6.700 29.444 11.220 1.00 44.11 H new ATOM 0 HG12 ILE B 77 8.899 28.426 11.468 1.00 70.24 H new ATOM 0 HG13 ILE B 77 8.068 28.467 13.011 1.00 70.24 H new ATOM 0 HG21 ILE B 77 5.590 28.326 13.115 1.00 64.41 H new ATOM 0 HG22 ILE B 77 4.639 28.180 11.618 1.00 64.41 H new ATOM 0 HG23 ILE B 77 5.589 26.795 12.207 1.00 64.41 H new ATOM 0 HD11 ILE B 77 9.224 26.334 12.695 1.00 2.32 H new ATOM 0 HD12 ILE B 77 7.463 26.086 12.764 1.00 2.32 H new ATOM 0 HD13 ILE B 77 8.306 26.044 11.197 1.00 2.32 H new ATOM 2759 N ALA B 78 8.409 29.262 9.033 1.00 60.23 N ATOM 2760 CA ALA B 78 9.670 29.635 8.403 1.00 30.33 C ATOM 2761 C ALA B 78 10.762 29.852 9.444 1.00 42.43 C ATOM 2762 O ALA B 78 10.518 30.358 10.539 1.00 1.45 O ATOM 2763 CB ALA B 78 9.487 30.887 7.558 1.00 22.31 C ATOM 0 H ALA B 78 7.823 30.052 9.304 1.00 60.23 H new ATOM 0 HA ALA B 78 9.981 28.815 7.756 1.00 30.33 H new ATOM 0 HB1 ALA B 78 10.436 31.154 7.093 1.00 22.31 H new ATOM 0 HB2 ALA B 78 8.744 30.698 6.783 1.00 22.31 H new ATOM 0 HB3 ALA B 78 9.149 31.707 8.191 1.00 22.31 H new ATOM 2769 N PRO B 79 11.997 29.458 9.098 1.00 54.52 N ATOM 2770 CA PRO B 79 13.152 29.599 9.990 1.00 53.33 C ATOM 2771 C PRO B 79 13.563 31.054 10.180 1.00 52.42 C ATOM 2772 O PRO B 79 12.839 31.970 9.789 1.00 11.10 O ATOM 2773 CB PRO B 79 14.255 28.822 9.267 1.00 0.21 C ATOM 2774 CG PRO B 79 13.864 28.858 7.830 1.00 1.12 C ATOM 2775 CD PRO B 79 12.361 28.846 7.809 1.00 63.55 C ATOM 0 HA PRO B 79 12.939 29.231 10.994 1.00 53.33 H new ATOM 0 HB2 PRO B 79 15.231 29.282 9.423 1.00 0.21 H new ATOM 0 HB3 PRO B 79 14.323 27.798 9.633 1.00 0.21 H new ATOM 0 HG2 PRO B 79 14.254 29.751 7.342 1.00 1.12 H new ATOM 0 HG3 PRO B 79 14.269 27.999 7.294 1.00 1.12 H new ATOM 0 HD2 PRO B 79 11.966 29.416 6.968 1.00 63.55 H new ATOM 0 HD3 PRO B 79 11.968 27.833 7.720 1.00 63.55 H new ATOM 2783 N ALA B 80 14.730 31.262 10.782 1.00 25.42 N ATOM 2784 CA ALA B 80 15.238 32.607 11.022 1.00 0.54 C ATOM 2785 C ALA B 80 15.902 33.174 9.772 1.00 35.22 C ATOM 2786 O ALA B 80 15.708 34.341 9.429 1.00 62.14 O ATOM 2787 CB ALA B 80 16.218 32.601 12.186 1.00 73.13 C ATOM 0 H ALA B 80 15.341 30.515 11.112 1.00 25.42 H new ATOM 0 HA ALA B 80 14.394 33.248 11.276 1.00 0.54 H new ATOM 0 HB1 ALA B 80 16.589 33.612 12.354 1.00 73.13 H new ATOM 0 HB2 ALA B 80 15.714 32.246 13.085 1.00 73.13 H new ATOM 0 HB3 ALA B 80 17.054 31.941 11.954 1.00 73.13 H new ATOM 2793 N LEU B 81 16.684 32.341 9.094 1.00 30.02 N ATOM 2794 CA LEU B 81 17.377 32.759 7.881 1.00 34.04 C ATOM 2795 C LEU B 81 16.386 33.040 6.756 1.00 42.43 C ATOM 2796 O LEU B 81 16.616 33.908 5.915 1.00 23.42 O ATOM 2797 CB LEU B 81 18.373 31.685 7.442 1.00 64.45 C ATOM 2798 CG LEU B 81 19.622 31.532 8.311 1.00 64.45 C ATOM 2799 CD1 LEU B 81 19.646 30.163 8.974 1.00 35.40 C ATOM 2800 CD2 LEU B 81 20.879 31.748 7.482 1.00 62.22 C ATOM 0 H LEU B 81 16.854 31.372 9.364 1.00 30.02 H new ATOM 0 HA LEU B 81 17.918 33.679 8.101 1.00 34.04 H new ATOM 0 HB2 LEU B 81 17.854 30.727 7.414 1.00 64.45 H new ATOM 0 HB3 LEU B 81 18.689 31.906 6.422 1.00 64.45 H new ATOM 0 HG LEU B 81 19.593 32.291 9.093 1.00 64.45 H new ATOM 0 HD11 LEU B 81 20.542 30.072 9.588 1.00 35.40 H new ATOM 0 HD12 LEU B 81 18.762 30.047 9.601 1.00 35.40 H new ATOM 0 HD13 LEU B 81 19.651 29.388 8.208 1.00 35.40 H new ATOM 0 HD21 LEU B 81 21.758 31.635 8.117 1.00 62.22 H new ATOM 0 HD22 LEU B 81 20.916 31.013 6.678 1.00 62.22 H new ATOM 0 HD23 LEU B 81 20.866 32.751 7.056 1.00 62.22 H new ATOM 2812 N ALA B 82 15.282 32.300 6.750 1.00 60.51 N ATOM 2813 CA ALA B 82 14.253 32.472 5.731 1.00 44.45 C ATOM 2814 C ALA B 82 13.843 33.935 5.606 1.00 20.32 C ATOM 2815 O ALA B 82 13.955 34.532 4.534 1.00 2.23 O ATOM 2816 CB ALA B 82 13.042 31.608 6.054 1.00 40.20 C ATOM 0 H ALA B 82 15.077 31.576 7.439 1.00 60.51 H new ATOM 0 HA ALA B 82 14.667 32.155 4.774 1.00 44.45 H new ATOM 0 HB1 ALA B 82 12.281 31.746 5.286 1.00 40.20 H new ATOM 0 HB2 ALA B 82 13.341 30.560 6.085 1.00 40.20 H new ATOM 0 HB3 ALA B 82 12.636 31.899 7.023 1.00 40.20 H new