USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 779 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 58 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Set 2.1: A 20 LYS NZ :NH3+ 158:sc=-0.00405 (180deg=0) USER MOD Set 2.2: A 36 MET CE :methyl -160:sc= -0.239 (180deg=-1.4!) USER MOD Single : A 2 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.31) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.27! K(o=-1.3!,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 67:sc= 0.516 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 137:sc= 1.22 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-0.5) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -1.81! C(o=-1.8!,f=-11!) USER MOD Single : A 88 ASN : amide:sc= -0.0284 K(o=-0.028,f=-1.9!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -2.35 K(o=-2.3,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 51.886 8.027 -12.545 1.00 0.00 N ATOM 2 CA PRO A 1 52.553 8.533 -11.320 1.00 0.00 C ATOM 3 C PRO A 1 53.145 7.364 -10.537 1.00 0.00 C ATOM 4 O PRO A 1 52.605 6.258 -10.551 1.00 0.00 O ATOM 5 CB PRO A 1 51.511 9.261 -10.477 1.00 0.00 C ATOM 6 CG PRO A 1 50.355 9.475 -11.401 1.00 0.00 C ATOM 7 CD PRO A 1 50.445 8.402 -12.499 1.00 0.00 C ATOM 0 H2 PRO A 1 51.985 7.014 -12.608 1.00 0.00 H new ATOM 0 H3 PRO A 1 52.327 8.422 -13.376 1.00 0.00 H new ATOM 0 HA PRO A 1 53.361 9.216 -11.581 1.00 0.00 H new ATOM 0 HB2 PRO A 1 51.220 8.669 -9.610 1.00 0.00 H new ATOM 0 HB3 PRO A 1 51.898 10.208 -10.101 1.00 0.00 H new ATOM 0 HG2 PRO A 1 49.411 9.395 -10.861 1.00 0.00 H new ATOM 0 HG3 PRO A 1 50.390 10.474 -11.836 1.00 0.00 H new ATOM 0 HD2 PRO A 1 49.819 7.541 -12.263 1.00 0.00 H new ATOM 0 HD3 PRO A 1 50.106 8.789 -13.460 1.00 0.00 H new ATOM 17 N GLN A 2 54.257 7.619 -9.855 1.00 0.00 N ATOM 18 CA GLN A 2 54.914 6.582 -9.067 1.00 0.00 C ATOM 19 C GLN A 2 54.739 6.855 -7.577 1.00 0.00 C ATOM 20 O GLN A 2 54.616 8.007 -7.159 1.00 0.00 O ATOM 21 CB GLN A 2 56.405 6.534 -9.406 1.00 0.00 C ATOM 22 CG GLN A 2 56.582 6.355 -10.914 1.00 0.00 C ATOM 23 CD GLN A 2 55.899 5.071 -11.375 1.00 0.00 C ATOM 24 OE1 GLN A 2 56.090 4.015 -10.773 1.00 0.00 O ATOM 25 NE2 GLN A 2 55.108 5.101 -12.414 1.00 0.00 N ATOM 0 H GLN A 2 54.719 8.528 -9.832 1.00 0.00 H new ATOM 0 HA GLN A 2 54.456 5.622 -9.308 1.00 0.00 H new ATOM 0 HB2 GLN A 2 56.892 7.452 -9.079 1.00 0.00 H new ATOM 0 HB3 GLN A 2 56.883 5.712 -8.873 1.00 0.00 H new ATOM 0 HG2 GLN A 2 56.159 7.210 -11.441 1.00 0.00 H new ATOM 0 HG3 GLN A 2 57.643 6.321 -11.162 1.00 0.00 H new ATOM 0 HE21 GLN A 2 54.952 5.978 -12.911 1.00 0.00 H new ATOM 0 HE22 GLN A 2 54.647 4.247 -12.728 1.00 0.00 H new ATOM 34 N ILE A 3 54.728 5.792 -6.780 1.00 0.00 N ATOM 35 CA ILE A 3 54.565 5.937 -5.338 1.00 0.00 C ATOM 36 C ILE A 3 55.726 5.285 -4.591 1.00 0.00 C ATOM 37 O ILE A 3 56.400 4.401 -5.120 1.00 0.00 O ATOM 38 CB ILE A 3 53.242 5.302 -4.897 1.00 0.00 C ATOM 39 CG1 ILE A 3 53.293 3.786 -5.125 1.00 0.00 C ATOM 40 CG2 ILE A 3 52.095 5.898 -5.714 1.00 0.00 C ATOM 41 CD1 ILE A 3 51.980 3.158 -4.655 1.00 0.00 C ATOM 0 H ILE A 3 54.829 4.830 -7.104 1.00 0.00 H new ATOM 0 HA ILE A 3 54.555 7.000 -5.099 1.00 0.00 H new ATOM 0 HB ILE A 3 53.082 5.503 -3.838 1.00 0.00 H new ATOM 0 HG12 ILE A 3 53.454 3.571 -6.181 1.00 0.00 H new ATOM 0 HG13 ILE A 3 54.132 3.353 -4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 3 51.153 5.447 -5.401 1.00 0.00 H new ATOM 0 HG22 ILE A 3 52.054 6.975 -5.551 1.00 0.00 H new ATOM 0 HG23 ILE A 3 52.260 5.697 -6.773 1.00 0.00 H new ATOM 0 HD11 ILE A 3 52.014 2.080 -4.816 1.00 0.00 H new ATOM 0 HD12 ILE A 3 51.839 3.362 -3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 3 51.151 3.583 -5.220 1.00 0.00 H new ATOM 53 N THR A 4 55.948 5.727 -3.357 1.00 0.00 N ATOM 54 CA THR A 4 57.022 5.178 -2.539 1.00 0.00 C ATOM 55 C THR A 4 58.249 4.864 -3.390 1.00 0.00 C ATOM 56 O THR A 4 58.749 3.739 -3.382 1.00 0.00 O ATOM 57 CB THR A 4 56.547 3.905 -1.839 1.00 0.00 C ATOM 58 OG1 THR A 4 55.224 4.099 -1.357 1.00 0.00 O ATOM 59 CG2 THR A 4 57.478 3.587 -0.667 1.00 0.00 C ATOM 0 H THR A 4 55.402 6.460 -2.904 1.00 0.00 H new ATOM 0 HA THR A 4 57.297 5.924 -1.794 1.00 0.00 H new ATOM 0 HB THR A 4 56.560 3.074 -2.545 1.00 0.00 H new ATOM 0 HG1 THR A 4 54.916 3.284 -0.909 1.00 0.00 H new ATOM 0 HG21 THR A 4 57.138 2.679 -0.169 1.00 0.00 H new ATOM 0 HG22 THR A 4 58.492 3.440 -1.038 1.00 0.00 H new ATOM 0 HG23 THR A 4 57.467 4.415 0.041 1.00 0.00 H new ATOM 67 N LEU A 5 58.732 5.863 -4.123 1.00 0.00 N ATOM 68 CA LEU A 5 59.904 5.673 -4.972 1.00 0.00 C ATOM 69 C LEU A 5 61.182 5.955 -4.188 1.00 0.00 C ATOM 70 O LEU A 5 61.312 6.999 -3.549 1.00 0.00 O ATOM 71 CB LEU A 5 59.831 6.607 -6.181 1.00 0.00 C ATOM 72 CG LEU A 5 59.483 8.020 -5.712 1.00 0.00 C ATOM 73 CD1 LEU A 5 60.416 9.025 -6.390 1.00 0.00 C ATOM 74 CD2 LEU A 5 58.034 8.339 -6.084 1.00 0.00 C ATOM 0 H LEU A 5 58.335 6.802 -4.147 1.00 0.00 H new ATOM 0 HA LEU A 5 59.919 4.638 -5.313 1.00 0.00 H new ATOM 0 HB2 LEU A 5 60.785 6.612 -6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 5 59.079 6.250 -6.885 1.00 0.00 H new ATOM 0 HG LEU A 5 59.603 8.084 -4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 5 60.169 10.033 -6.057 1.00 0.00 H new ATOM 0 HD12 LEU A 5 61.449 8.798 -6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 5 60.296 8.961 -7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 5 57.786 9.346 -5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 5 57.914 8.276 -7.165 1.00 0.00 H new ATOM 0 HD23 LEU A 5 57.369 7.623 -5.602 1.00 0.00 H new ATOM 86 N TRP A 6 62.124 5.018 -4.242 1.00 0.00 N ATOM 87 CA TRP A 6 63.387 5.178 -3.533 1.00 0.00 C ATOM 88 C TRP A 6 64.559 4.817 -4.441 1.00 0.00 C ATOM 89 O TRP A 6 65.499 5.596 -4.598 1.00 0.00 O ATOM 90 CB TRP A 6 63.406 4.285 -2.289 1.00 0.00 C ATOM 91 CG TRP A 6 63.861 5.085 -1.111 1.00 0.00 C ATOM 92 CD1 TRP A 6 65.147 5.223 -0.714 1.00 0.00 C ATOM 93 CD2 TRP A 6 63.058 5.859 -0.173 1.00 0.00 C ATOM 94 NE1 TRP A 6 65.183 6.030 0.409 1.00 0.00 N ATOM 95 CE2 TRP A 6 63.921 6.447 0.781 1.00 0.00 C ATOM 96 CE3 TRP A 6 61.678 6.104 -0.058 1.00 0.00 C ATOM 97 CZ2 TRP A 6 63.433 7.251 1.812 1.00 0.00 C ATOM 98 CZ3 TRP A 6 61.183 6.912 0.979 1.00 0.00 C ATOM 99 CH2 TRP A 6 62.059 7.485 1.912 1.00 0.00 C ATOM 0 H TRP A 6 62.037 4.147 -4.765 1.00 0.00 H new ATOM 0 HA TRP A 6 63.484 6.221 -3.231 1.00 0.00 H new ATOM 0 HB2 TRP A 6 62.412 3.878 -2.104 1.00 0.00 H new ATOM 0 HB3 TRP A 6 64.073 3.437 -2.446 1.00 0.00 H new ATOM 0 HD1 TRP A 6 66.005 4.776 -1.195 1.00 0.00 H new ATOM 0 HE1 TRP A 6 66.038 6.286 0.902 1.00 0.00 H new ATOM 0 HE3 TRP A 6 60.994 5.668 -0.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 64.113 7.689 2.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 60.121 7.093 1.058 1.00 0.00 H new ATOM 0 HH2 TRP A 6 61.672 8.106 2.706 1.00 0.00 H new ATOM 110 N LYS A 7 64.494 3.630 -5.035 1.00 0.00 N ATOM 111 CA LYS A 7 65.552 3.171 -5.927 1.00 0.00 C ATOM 112 C LYS A 7 64.984 2.873 -7.310 1.00 0.00 C ATOM 113 O LYS A 7 63.902 2.299 -7.434 1.00 0.00 O ATOM 114 CB LYS A 7 66.203 1.907 -5.361 1.00 0.00 C ATOM 115 CG LYS A 7 67.538 1.662 -6.071 1.00 0.00 C ATOM 116 CD LYS A 7 67.980 0.206 -5.878 1.00 0.00 C ATOM 117 CE LYS A 7 68.492 0.001 -4.450 1.00 0.00 C ATOM 118 NZ LYS A 7 69.970 -0.183 -4.475 1.00 0.00 N ATOM 0 H LYS A 7 63.724 2.972 -4.916 1.00 0.00 H new ATOM 0 HA LYS A 7 66.301 3.958 -6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 7 66.363 2.016 -4.288 1.00 0.00 H new ATOM 0 HB3 LYS A 7 65.542 1.051 -5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 7 67.439 1.882 -7.134 1.00 0.00 H new ATOM 0 HG3 LYS A 7 68.298 2.336 -5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 7 67.144 -0.466 -6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 7 68.763 -0.043 -6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 7 68.232 0.860 -3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 7 68.014 -0.870 -4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 70.319 -0.322 -3.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 70.206 -1.016 -5.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 70.418 0.661 -4.886 1.00 0.00 H new ATOM 132 N ARG A 8 65.716 3.265 -8.347 1.00 0.00 N ATOM 133 CA ARG A 8 65.262 3.029 -9.712 1.00 0.00 C ATOM 134 C ARG A 8 65.121 1.523 -9.966 1.00 0.00 C ATOM 135 O ARG A 8 66.048 0.762 -9.692 1.00 0.00 O ATOM 136 CB ARG A 8 66.266 3.621 -10.703 1.00 0.00 C ATOM 137 CG ARG A 8 65.568 4.667 -11.579 1.00 0.00 C ATOM 138 CD ARG A 8 65.204 5.892 -10.733 1.00 0.00 C ATOM 139 NE ARG A 8 65.726 7.128 -11.332 1.00 0.00 N ATOM 140 CZ ARG A 8 66.994 7.258 -11.722 1.00 0.00 C ATOM 141 NH1 ARG A 8 67.856 6.304 -11.504 1.00 0.00 N ATOM 142 NH2 ARG A 8 67.383 8.360 -12.303 1.00 0.00 N ATOM 0 H ARG A 8 66.615 3.741 -8.271 1.00 0.00 H new ATOM 0 HA ARG A 8 64.293 3.508 -9.848 1.00 0.00 H new ATOM 0 HB2 ARG A 8 67.097 4.078 -10.165 1.00 0.00 H new ATOM 0 HB3 ARG A 8 66.686 2.831 -11.326 1.00 0.00 H new ATOM 0 HG2 ARG A 8 66.221 4.962 -12.400 1.00 0.00 H new ATOM 0 HG3 ARG A 8 64.669 4.241 -12.024 1.00 0.00 H new ATOM 0 HD2 ARG A 8 64.120 5.961 -10.637 1.00 0.00 H new ATOM 0 HD3 ARG A 8 65.607 5.775 -9.727 1.00 0.00 H new ATOM 0 HE ARG A 8 65.093 7.918 -11.454 1.00 0.00 H new ATOM 0 HH11 ARG A 8 67.562 5.449 -11.031 1.00 0.00 H new ATOM 0 HH12 ARG A 8 68.824 6.413 -11.806 1.00 0.00 H new ATOM 0 HH21 ARG A 8 66.718 9.118 -12.457 1.00 0.00 H new ATOM 0 HH22 ARG A 8 68.352 8.464 -12.603 1.00 0.00 H new ATOM 156 N PRO A 9 63.995 1.070 -10.475 1.00 0.00 N ATOM 157 CA PRO A 9 63.777 -0.381 -10.747 1.00 0.00 C ATOM 158 C PRO A 9 64.604 -0.872 -11.932 1.00 0.00 C ATOM 159 O PRO A 9 64.880 -2.065 -12.059 1.00 0.00 O ATOM 160 CB PRO A 9 62.280 -0.484 -11.042 1.00 0.00 C ATOM 161 CG PRO A 9 61.870 0.871 -11.511 1.00 0.00 C ATOM 162 CD PRO A 9 62.816 1.874 -10.851 1.00 0.00 C ATOM 0 HA PRO A 9 64.087 -1.003 -9.907 1.00 0.00 H new ATOM 0 HB2 PRO A 9 62.081 -1.239 -11.803 1.00 0.00 H new ATOM 0 HB3 PRO A 9 61.724 -0.775 -10.151 1.00 0.00 H new ATOM 0 HG2 PRO A 9 61.932 0.939 -12.597 1.00 0.00 H new ATOM 0 HG3 PRO A 9 60.835 1.078 -11.237 1.00 0.00 H new ATOM 0 HD2 PRO A 9 63.085 2.678 -11.536 1.00 0.00 H new ATOM 0 HD3 PRO A 9 62.357 2.339 -9.979 1.00 0.00 H new ATOM 170 N LEU A 10 64.993 0.057 -12.799 1.00 0.00 N ATOM 171 CA LEU A 10 65.785 -0.290 -13.973 1.00 0.00 C ATOM 172 C LEU A 10 67.275 -0.205 -13.653 1.00 0.00 C ATOM 173 O LEU A 10 67.758 0.814 -13.161 1.00 0.00 O ATOM 174 CB LEU A 10 65.449 0.666 -15.122 1.00 0.00 C ATOM 175 CG LEU A 10 66.162 0.220 -16.406 1.00 0.00 C ATOM 176 CD1 LEU A 10 65.436 -0.981 -17.021 1.00 0.00 C ATOM 177 CD2 LEU A 10 66.164 1.377 -17.406 1.00 0.00 C ATOM 0 H LEU A 10 64.774 1.050 -12.712 1.00 0.00 H new ATOM 0 HA LEU A 10 65.547 -1.312 -14.268 1.00 0.00 H new ATOM 0 HB2 LEU A 10 64.371 0.687 -15.284 1.00 0.00 H new ATOM 0 HB3 LEU A 10 65.752 1.680 -14.862 1.00 0.00 H new ATOM 0 HG LEU A 10 67.186 -0.068 -16.167 1.00 0.00 H new ATOM 0 HD11 LEU A 10 65.950 -1.290 -17.931 1.00 0.00 H new ATOM 0 HD12 LEU A 10 65.431 -1.807 -16.309 1.00 0.00 H new ATOM 0 HD13 LEU A 10 64.410 -0.702 -17.260 1.00 0.00 H new ATOM 0 HD21 LEU A 10 66.669 1.067 -18.321 1.00 0.00 H new ATOM 0 HD22 LEU A 10 65.137 1.660 -17.637 1.00 0.00 H new ATOM 0 HD23 LEU A 10 66.687 2.230 -16.974 1.00 0.00 H new ATOM 189 N VAL A 11 67.996 -1.285 -13.936 1.00 0.00 N ATOM 190 CA VAL A 11 69.429 -1.322 -13.675 1.00 0.00 C ATOM 191 C VAL A 11 70.177 -1.910 -14.868 1.00 0.00 C ATOM 192 O VAL A 11 69.702 -2.848 -15.508 1.00 0.00 O ATOM 193 CB VAL A 11 69.710 -2.164 -12.430 1.00 0.00 C ATOM 194 CG1 VAL A 11 69.302 -3.615 -12.692 1.00 0.00 C ATOM 195 CG2 VAL A 11 71.204 -2.108 -12.100 1.00 0.00 C ATOM 0 H VAL A 11 67.615 -2.139 -14.343 1.00 0.00 H new ATOM 0 HA VAL A 11 69.776 -0.302 -13.511 1.00 0.00 H new ATOM 0 HB VAL A 11 69.137 -1.770 -11.590 1.00 0.00 H new ATOM 0 HG11 VAL A 11 69.502 -4.215 -11.804 1.00 0.00 H new ATOM 0 HG12 VAL A 11 68.238 -3.657 -12.926 1.00 0.00 H new ATOM 0 HG13 VAL A 11 69.874 -4.008 -13.532 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.403 -2.708 -11.212 1.00 0.00 H new ATOM 0 HG22 VAL A 11 71.777 -2.501 -12.940 1.00 0.00 H new ATOM 0 HG23 VAL A 11 71.497 -1.075 -11.912 1.00 0.00 H new ATOM 205 N THR A 12 71.349 -1.357 -15.158 1.00 0.00 N ATOM 206 CA THR A 12 72.153 -1.840 -16.272 1.00 0.00 C ATOM 207 C THR A 12 73.567 -2.172 -15.806 1.00 0.00 C ATOM 208 O THR A 12 74.033 -1.653 -14.791 1.00 0.00 O ATOM 209 CB THR A 12 72.213 -0.780 -17.371 1.00 0.00 C ATOM 210 OG1 THR A 12 73.006 0.313 -16.931 1.00 0.00 O ATOM 211 CG2 THR A 12 70.797 -0.293 -17.689 1.00 0.00 C ATOM 0 H THR A 12 71.760 -0.580 -14.641 1.00 0.00 H new ATOM 0 HA THR A 12 71.689 -2.745 -16.665 1.00 0.00 H new ATOM 0 HB THR A 12 72.657 -1.211 -18.269 1.00 0.00 H new ATOM 0 HG1 THR A 12 73.046 0.993 -17.636 1.00 0.00 H new ATOM 0 HG21 THR A 12 70.840 0.463 -18.473 1.00 0.00 H new ATOM 0 HG22 THR A 12 70.191 -1.133 -18.028 1.00 0.00 H new ATOM 0 HG23 THR A 12 70.351 0.138 -16.793 1.00 0.00 H new ATOM 219 N ILE A 13 74.245 -3.037 -16.553 1.00 0.00 N ATOM 220 CA ILE A 13 75.606 -3.426 -16.206 1.00 0.00 C ATOM 221 C ILE A 13 76.554 -3.166 -17.373 1.00 0.00 C ATOM 222 O ILE A 13 76.124 -3.044 -18.520 1.00 0.00 O ATOM 223 CB ILE A 13 75.647 -4.907 -15.818 1.00 0.00 C ATOM 224 CG1 ILE A 13 75.296 -5.776 -17.032 1.00 0.00 C ATOM 225 CG2 ILE A 13 74.639 -5.170 -14.698 1.00 0.00 C ATOM 226 CD1 ILE A 13 75.380 -7.253 -16.642 1.00 0.00 C ATOM 0 H ILE A 13 73.878 -3.479 -17.396 1.00 0.00 H new ATOM 0 HA ILE A 13 75.930 -2.825 -15.356 1.00 0.00 H new ATOM 0 HB ILE A 13 76.651 -5.158 -15.475 1.00 0.00 H new ATOM 0 HG12 ILE A 13 74.293 -5.538 -17.385 1.00 0.00 H new ATOM 0 HG13 ILE A 13 75.981 -5.566 -17.853 1.00 0.00 H new ATOM 0 HG21 ILE A 13 74.668 -6.224 -14.422 1.00 0.00 H new ATOM 0 HG22 ILE A 13 74.892 -4.561 -13.830 1.00 0.00 H new ATOM 0 HG23 ILE A 13 73.637 -4.913 -15.042 1.00 0.00 H new ATOM 0 HD11 ILE A 13 75.131 -7.872 -17.504 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.392 -7.485 -16.310 1.00 0.00 H new ATOM 0 HD13 ILE A 13 74.677 -7.457 -15.834 1.00 0.00 H new ATOM 238 N LYS A 14 77.845 -3.083 -17.070 1.00 0.00 N ATOM 239 CA LYS A 14 78.847 -2.839 -18.100 1.00 0.00 C ATOM 240 C LYS A 14 79.935 -3.907 -18.054 1.00 0.00 C ATOM 241 O LYS A 14 80.609 -4.074 -17.038 1.00 0.00 O ATOM 242 CB LYS A 14 79.473 -1.457 -17.899 1.00 0.00 C ATOM 243 CG LYS A 14 78.405 -0.380 -18.105 1.00 0.00 C ATOM 244 CD LYS A 14 79.001 1.000 -17.813 1.00 0.00 C ATOM 245 CE LYS A 14 80.060 1.340 -18.866 1.00 0.00 C ATOM 246 NZ LYS A 14 80.177 2.821 -18.990 1.00 0.00 N ATOM 0 H LYS A 14 78.220 -3.180 -16.126 1.00 0.00 H new ATOM 0 HA LYS A 14 78.359 -2.879 -19.074 1.00 0.00 H new ATOM 0 HB2 LYS A 14 79.895 -1.379 -16.897 1.00 0.00 H new ATOM 0 HB3 LYS A 14 80.293 -1.311 -18.603 1.00 0.00 H new ATOM 0 HG2 LYS A 14 78.031 -0.416 -19.128 1.00 0.00 H new ATOM 0 HG3 LYS A 14 77.555 -0.566 -17.448 1.00 0.00 H new ATOM 0 HD2 LYS A 14 78.214 1.755 -17.818 1.00 0.00 H new ATOM 0 HD3 LYS A 14 79.447 1.011 -16.818 1.00 0.00 H new ATOM 0 HE2 LYS A 14 81.021 0.911 -18.583 1.00 0.00 H new ATOM 0 HE3 LYS A 14 79.787 0.904 -19.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 80.896 3.054 -19.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 79.260 3.219 -19.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 80.457 3.225 -18.073 1.00 0.00 H new ATOM 260 N ILE A 15 80.113 -4.615 -19.164 1.00 0.00 N ATOM 261 CA ILE A 15 81.135 -5.650 -19.240 1.00 0.00 C ATOM 262 C ILE A 15 81.782 -5.658 -20.621 1.00 0.00 C ATOM 263 O ILE A 15 81.098 -5.537 -21.637 1.00 0.00 O ATOM 264 CB ILE A 15 80.522 -7.022 -18.934 1.00 0.00 C ATOM 265 CG1 ILE A 15 79.520 -7.406 -20.029 1.00 0.00 C ATOM 266 CG2 ILE A 15 79.799 -6.965 -17.587 1.00 0.00 C ATOM 267 CD1 ILE A 15 78.932 -8.785 -19.721 1.00 0.00 C ATOM 0 H ILE A 15 79.567 -4.492 -20.017 1.00 0.00 H new ATOM 0 HA ILE A 15 81.904 -5.435 -18.498 1.00 0.00 H new ATOM 0 HB ILE A 15 81.317 -7.767 -18.898 1.00 0.00 H new ATOM 0 HG12 ILE A 15 78.724 -6.664 -20.085 1.00 0.00 H new ATOM 0 HG13 ILE A 15 80.014 -7.418 -21.001 1.00 0.00 H new ATOM 0 HG21 ILE A 15 79.362 -7.939 -17.367 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.509 -6.701 -16.804 1.00 0.00 H new ATOM 0 HG23 ILE A 15 79.010 -6.215 -17.629 1.00 0.00 H new ATOM 0 HD11 ILE A 15 78.219 -9.059 -20.499 1.00 0.00 H new ATOM 0 HD12 ILE A 15 79.733 -9.523 -19.687 1.00 0.00 H new ATOM 0 HD13 ILE A 15 78.424 -8.757 -18.757 1.00 0.00 H new ATOM 279 N GLY A 16 83.102 -5.798 -20.653 1.00 0.00 N ATOM 280 CA GLY A 16 83.827 -5.821 -21.918 1.00 0.00 C ATOM 281 C GLY A 16 83.816 -4.448 -22.586 1.00 0.00 C ATOM 282 O GLY A 16 84.439 -4.254 -23.629 1.00 0.00 O ATOM 0 H GLY A 16 83.689 -5.897 -19.824 1.00 0.00 H new ATOM 0 HA2 GLY A 16 84.856 -6.136 -21.745 1.00 0.00 H new ATOM 0 HA3 GLY A 16 83.377 -6.556 -22.585 1.00 0.00 H new ATOM 286 N GLY A 17 83.096 -3.503 -21.988 1.00 0.00 N ATOM 287 CA GLY A 17 83.004 -2.159 -22.547 1.00 0.00 C ATOM 288 C GLY A 17 81.689 -1.977 -23.293 1.00 0.00 C ATOM 289 O GLY A 17 81.509 -1.006 -24.029 1.00 0.00 O ATOM 0 H GLY A 17 82.572 -3.641 -21.124 1.00 0.00 H new ATOM 0 HA2 GLY A 17 83.080 -1.421 -21.748 1.00 0.00 H new ATOM 0 HA3 GLY A 17 83.840 -1.983 -23.224 1.00 0.00 H new ATOM 293 N GLN A 18 80.769 -2.913 -23.088 1.00 0.00 N ATOM 294 CA GLN A 18 79.465 -2.846 -23.734 1.00 0.00 C ATOM 295 C GLN A 18 78.367 -2.710 -22.683 1.00 0.00 C ATOM 296 O GLN A 18 78.510 -3.191 -21.559 1.00 0.00 O ATOM 297 CB GLN A 18 79.222 -4.102 -24.574 1.00 0.00 C ATOM 298 CG GLN A 18 80.286 -4.200 -25.668 1.00 0.00 C ATOM 299 CD GLN A 18 79.964 -5.354 -26.610 1.00 0.00 C ATOM 300 OE1 GLN A 18 80.694 -5.594 -27.573 1.00 0.00 O ATOM 301 NE2 GLN A 18 78.906 -6.085 -26.393 1.00 0.00 N ATOM 0 H GLN A 18 80.902 -3.723 -22.483 1.00 0.00 H new ATOM 0 HA GLN A 18 79.446 -1.974 -24.388 1.00 0.00 H new ATOM 0 HB2 GLN A 18 79.255 -4.988 -23.940 1.00 0.00 H new ATOM 0 HB3 GLN A 18 78.228 -4.067 -25.021 1.00 0.00 H new ATOM 0 HG2 GLN A 18 80.331 -3.265 -26.227 1.00 0.00 H new ATOM 0 HG3 GLN A 18 81.268 -4.350 -25.219 1.00 0.00 H new ATOM 0 HE21 GLN A 18 78.303 -5.885 -25.595 1.00 0.00 H new ATOM 0 HE22 GLN A 18 78.682 -6.857 -27.021 1.00 0.00 H new ATOM 310 N LEU A 19 77.278 -2.045 -23.051 1.00 0.00 N ATOM 311 CA LEU A 19 76.170 -1.847 -22.124 1.00 0.00 C ATOM 312 C LEU A 19 75.144 -2.966 -22.261 1.00 0.00 C ATOM 313 O LEU A 19 74.705 -3.291 -23.364 1.00 0.00 O ATOM 314 CB LEU A 19 75.509 -0.498 -22.405 1.00 0.00 C ATOM 315 CG LEU A 19 76.535 0.617 -22.196 1.00 0.00 C ATOM 316 CD1 LEU A 19 76.284 1.743 -23.198 1.00 0.00 C ATOM 317 CD2 LEU A 19 76.404 1.165 -20.773 1.00 0.00 C ATOM 0 H LEU A 19 77.139 -1.637 -23.976 1.00 0.00 H new ATOM 0 HA LEU A 19 76.557 -1.861 -21.105 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.128 -0.472 -23.426 1.00 0.00 H new ATOM 0 HB3 LEU A 19 74.656 -0.352 -21.743 1.00 0.00 H new ATOM 0 HG LEU A 19 77.538 0.218 -22.346 1.00 0.00 H new ATOM 0 HD11 LEU A 19 77.017 2.535 -23.046 1.00 0.00 H new ATOM 0 HD12 LEU A 19 76.375 1.354 -24.212 1.00 0.00 H new ATOM 0 HD13 LEU A 19 75.281 2.144 -23.051 1.00 0.00 H new ATOM 0 HD21 LEU A 19 77.134 1.960 -20.621 1.00 0.00 H new ATOM 0 HD22 LEU A 19 75.399 1.562 -20.627 1.00 0.00 H new ATOM 0 HD23 LEU A 19 76.585 0.364 -20.056 1.00 0.00 H new ATOM 329 N LYS A 20 74.768 -3.550 -21.128 1.00 0.00 N ATOM 330 CA LYS A 20 73.795 -4.635 -21.118 1.00 0.00 C ATOM 331 C LYS A 20 72.734 -4.392 -20.049 1.00 0.00 C ATOM 332 O LYS A 20 72.965 -3.655 -19.090 1.00 0.00 O ATOM 333 CB LYS A 20 74.501 -5.966 -20.854 1.00 0.00 C ATOM 334 CG LYS A 20 75.505 -6.238 -21.977 1.00 0.00 C ATOM 335 CD LYS A 20 76.137 -7.616 -21.779 1.00 0.00 C ATOM 336 CE LYS A 20 77.239 -7.825 -22.818 1.00 0.00 C ATOM 337 NZ LYS A 20 77.074 -9.162 -23.454 1.00 0.00 N ATOM 0 H LYS A 20 75.122 -3.291 -20.207 1.00 0.00 H new ATOM 0 HA LYS A 20 73.307 -4.673 -22.092 1.00 0.00 H new ATOM 0 HB2 LYS A 20 75.013 -5.935 -19.892 1.00 0.00 H new ATOM 0 HB3 LYS A 20 73.771 -6.774 -20.800 1.00 0.00 H new ATOM 0 HG2 LYS A 20 75.005 -6.192 -22.944 1.00 0.00 H new ATOM 0 HG3 LYS A 20 76.278 -5.470 -21.981 1.00 0.00 H new ATOM 0 HD2 LYS A 20 76.550 -7.697 -20.774 1.00 0.00 H new ATOM 0 HD3 LYS A 20 75.379 -8.393 -21.876 1.00 0.00 H new ATOM 0 HE2 LYS A 20 77.193 -7.042 -23.575 1.00 0.00 H new ATOM 0 HE3 LYS A 20 78.218 -7.754 -22.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 77.551 -9.168 -24.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 77.494 -9.891 -22.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 76.062 -9.361 -23.586 1.00 0.00 H new ATOM 351 N GLU A 21 71.574 -5.020 -20.213 1.00 0.00 N ATOM 352 CA GLU A 21 70.491 -4.865 -19.247 1.00 0.00 C ATOM 353 C GLU A 21 70.210 -6.191 -18.549 1.00 0.00 C ATOM 354 O GLU A 21 70.329 -7.256 -19.153 1.00 0.00 O ATOM 355 CB GLU A 21 69.225 -4.377 -19.954 1.00 0.00 C ATOM 356 CG GLU A 21 69.493 -3.018 -20.601 1.00 0.00 C ATOM 357 CD GLU A 21 68.220 -2.490 -21.253 1.00 0.00 C ATOM 358 OE1 GLU A 21 67.268 -3.248 -21.348 1.00 0.00 O ATOM 359 OE2 GLU A 21 68.215 -1.336 -21.647 1.00 0.00 O ATOM 0 H GLU A 21 71.360 -5.636 -20.998 1.00 0.00 H new ATOM 0 HA GLU A 21 70.793 -4.130 -18.501 1.00 0.00 H new ATOM 0 HB2 GLU A 21 68.918 -5.098 -20.712 1.00 0.00 H new ATOM 0 HB3 GLU A 21 68.405 -4.296 -19.240 1.00 0.00 H new ATOM 0 HG2 GLU A 21 69.846 -2.312 -19.850 1.00 0.00 H new ATOM 0 HG3 GLU A 21 70.282 -3.111 -21.347 1.00 0.00 H new ATOM 366 N ALA A 22 69.837 -6.121 -17.275 1.00 0.00 N ATOM 367 CA ALA A 22 69.546 -7.329 -16.515 1.00 0.00 C ATOM 368 C ALA A 22 68.495 -7.062 -15.442 1.00 0.00 C ATOM 369 O ALA A 22 68.377 -5.946 -14.935 1.00 0.00 O ATOM 370 CB ALA A 22 70.824 -7.850 -15.856 1.00 0.00 C ATOM 0 H ALA A 22 69.730 -5.251 -16.753 1.00 0.00 H new ATOM 0 HA ALA A 22 69.156 -8.077 -17.205 1.00 0.00 H new ATOM 0 HB1 ALA A 22 70.599 -8.753 -15.289 1.00 0.00 H new ATOM 0 HB2 ALA A 22 71.563 -8.078 -16.624 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.223 -7.090 -15.184 1.00 0.00 H new ATOM 376 N LEU A 23 67.739 -8.100 -15.098 1.00 0.00 N ATOM 377 CA LEU A 23 66.702 -7.980 -14.080 1.00 0.00 C ATOM 378 C LEU A 23 67.197 -8.552 -12.757 1.00 0.00 C ATOM 379 O LEU A 23 68.003 -9.482 -12.735 1.00 0.00 O ATOM 380 CB LEU A 23 65.440 -8.723 -14.526 1.00 0.00 C ATOM 381 CG LEU A 23 65.003 -8.215 -15.903 1.00 0.00 C ATOM 382 CD1 LEU A 23 63.678 -8.871 -16.294 1.00 0.00 C ATOM 383 CD2 LEU A 23 64.819 -6.696 -15.854 1.00 0.00 C ATOM 0 H LEU A 23 67.825 -9.030 -15.508 1.00 0.00 H new ATOM 0 HA LEU A 23 66.465 -6.925 -13.944 1.00 0.00 H new ATOM 0 HB2 LEU A 23 65.633 -9.795 -14.567 1.00 0.00 H new ATOM 0 HB3 LEU A 23 64.641 -8.570 -13.801 1.00 0.00 H new ATOM 0 HG LEU A 23 65.767 -8.467 -16.639 1.00 0.00 H new ATOM 0 HD11 LEU A 23 63.368 -8.509 -17.274 1.00 0.00 H new ATOM 0 HD12 LEU A 23 63.804 -9.953 -16.330 1.00 0.00 H new ATOM 0 HD13 LEU A 23 62.916 -8.619 -15.556 1.00 0.00 H new ATOM 0 HD21 LEU A 23 64.508 -6.335 -16.834 1.00 0.00 H new ATOM 0 HD22 LEU A 23 64.056 -6.445 -15.117 1.00 0.00 H new ATOM 0 HD23 LEU A 23 65.761 -6.224 -15.576 1.00 0.00 H new ATOM 395 N LEU A 24 66.716 -7.988 -11.653 1.00 0.00 N ATOM 396 CA LEU A 24 67.126 -8.451 -10.332 1.00 0.00 C ATOM 397 C LEU A 24 66.344 -9.699 -9.935 1.00 0.00 C ATOM 398 O LEU A 24 65.128 -9.761 -10.104 1.00 0.00 O ATOM 399 CB LEU A 24 66.881 -7.352 -9.298 1.00 0.00 C ATOM 400 CG LEU A 24 67.598 -6.071 -9.728 1.00 0.00 C ATOM 401 CD1 LEU A 24 67.381 -4.987 -8.671 1.00 0.00 C ATOM 402 CD2 LEU A 24 69.095 -6.352 -9.870 1.00 0.00 C ATOM 0 H LEU A 24 66.048 -7.217 -11.646 1.00 0.00 H new ATOM 0 HA LEU A 24 68.188 -8.694 -10.366 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.812 -7.166 -9.198 1.00 0.00 H new ATOM 0 HB3 LEU A 24 67.242 -7.672 -8.321 1.00 0.00 H new ATOM 0 HG LEU A 24 67.198 -5.732 -10.684 1.00 0.00 H new ATOM 0 HD11 LEU A 24 67.892 -4.074 -8.976 1.00 0.00 H new ATOM 0 HD12 LEU A 24 66.314 -4.789 -8.567 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.782 -5.325 -7.716 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.609 -5.441 -10.176 1.00 0.00 H new ATOM 0 HD22 LEU A 24 69.494 -6.690 -8.914 1.00 0.00 H new ATOM 0 HD23 LEU A 24 69.250 -7.126 -10.621 1.00 0.00 H new ATOM 414 N ASP A 25 67.052 -10.690 -9.403 1.00 0.00 N ATOM 415 CA ASP A 25 66.414 -11.931 -8.980 1.00 0.00 C ATOM 416 C ASP A 25 65.937 -11.826 -7.537 1.00 0.00 C ATOM 417 O ASP A 25 66.593 -11.201 -6.703 1.00 0.00 O ATOM 418 CB ASP A 25 67.391 -13.098 -9.111 1.00 0.00 C ATOM 419 CG ASP A 25 66.664 -14.412 -8.851 1.00 0.00 C ATOM 420 OD1 ASP A 25 66.055 -14.923 -9.778 1.00 0.00 O ATOM 421 OD2 ASP A 25 66.723 -14.887 -7.730 1.00 0.00 O ATOM 0 H ASP A 25 68.061 -10.659 -9.255 1.00 0.00 H new ATOM 0 HA ASP A 25 65.553 -12.107 -9.624 1.00 0.00 H new ATOM 0 HB2 ASP A 25 67.830 -13.106 -10.109 1.00 0.00 H new ATOM 0 HB3 ASP A 25 68.211 -12.979 -8.403 1.00 0.00 H new ATOM 426 N THR A 26 64.803 -12.452 -7.242 1.00 0.00 N ATOM 427 CA THR A 26 64.263 -12.433 -5.889 1.00 0.00 C ATOM 428 C THR A 26 65.242 -13.092 -4.927 1.00 0.00 C ATOM 429 O THR A 26 65.281 -12.766 -3.740 1.00 0.00 O ATOM 430 CB THR A 26 62.923 -13.172 -5.844 1.00 0.00 C ATOM 431 OG1 THR A 26 62.031 -12.595 -6.787 1.00 0.00 O ATOM 432 CG2 THR A 26 62.325 -13.063 -4.439 1.00 0.00 C ATOM 0 H THR A 26 64.244 -12.975 -7.916 1.00 0.00 H new ATOM 0 HA THR A 26 64.109 -11.396 -5.590 1.00 0.00 H new ATOM 0 HB THR A 26 63.080 -14.222 -6.090 1.00 0.00 H new ATOM 0 HG1 THR A 26 61.174 -13.069 -6.759 1.00 0.00 H new ATOM 0 HG21 THR A 26 61.371 -13.589 -4.408 1.00 0.00 H new ATOM 0 HG22 THR A 26 63.009 -13.509 -3.717 1.00 0.00 H new ATOM 0 HG23 THR A 26 62.168 -12.013 -4.191 1.00 0.00 H new ATOM 440 N GLY A 27 66.037 -14.020 -5.452 1.00 0.00 N ATOM 441 CA GLY A 27 67.020 -14.718 -4.636 1.00 0.00 C ATOM 442 C GLY A 27 67.612 -15.911 -5.378 1.00 0.00 C ATOM 443 O GLY A 27 67.295 -17.061 -5.076 1.00 0.00 O ATOM 0 H GLY A 27 66.019 -14.303 -6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 27 67.817 -14.030 -4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 27 66.553 -15.058 -3.712 1.00 0.00 H new ATOM 447 N ALA A 28 68.483 -15.631 -6.342 1.00 0.00 N ATOM 448 CA ALA A 28 69.123 -16.694 -7.109 1.00 0.00 C ATOM 449 C ALA A 28 70.501 -16.997 -6.531 1.00 0.00 C ATOM 450 O ALA A 28 71.295 -16.088 -6.291 1.00 0.00 O ATOM 451 CB ALA A 28 69.259 -16.274 -8.574 1.00 0.00 C ATOM 0 H ALA A 28 68.760 -14.686 -6.609 1.00 0.00 H new ATOM 0 HA ALA A 28 68.506 -17.590 -7.050 1.00 0.00 H new ATOM 0 HB1 ALA A 28 69.738 -17.074 -9.139 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.271 -16.078 -8.990 1.00 0.00 H new ATOM 0 HB3 ALA A 28 69.866 -15.371 -8.639 1.00 0.00 H new ATOM 457 N ASP A 29 70.778 -18.276 -6.306 1.00 0.00 N ATOM 458 CA ASP A 29 72.065 -18.679 -5.751 1.00 0.00 C ATOM 459 C ASP A 29 73.205 -18.316 -6.700 1.00 0.00 C ATOM 460 O ASP A 29 74.268 -17.873 -6.266 1.00 0.00 O ATOM 461 CB ASP A 29 72.068 -20.188 -5.493 1.00 0.00 C ATOM 462 CG ASP A 29 71.053 -20.532 -4.408 1.00 0.00 C ATOM 463 OD1 ASP A 29 70.638 -19.627 -3.704 1.00 0.00 O ATOM 464 OD2 ASP A 29 70.705 -21.697 -4.297 1.00 0.00 O ATOM 0 H ASP A 29 70.136 -19.045 -6.497 1.00 0.00 H new ATOM 0 HA ASP A 29 72.216 -18.147 -4.812 1.00 0.00 H new ATOM 0 HB2 ASP A 29 71.827 -20.723 -6.411 1.00 0.00 H new ATOM 0 HB3 ASP A 29 73.063 -20.511 -5.188 1.00 0.00 H new ATOM 469 N ASP A 30 72.978 -18.514 -7.996 1.00 0.00 N ATOM 470 CA ASP A 30 73.999 -18.213 -8.995 1.00 0.00 C ATOM 471 C ASP A 30 73.543 -17.098 -9.933 1.00 0.00 C ATOM 472 O ASP A 30 72.362 -16.756 -9.985 1.00 0.00 O ATOM 473 CB ASP A 30 74.314 -19.466 -9.815 1.00 0.00 C ATOM 474 CG ASP A 30 74.950 -20.527 -8.923 1.00 0.00 C ATOM 475 OD1 ASP A 30 75.366 -20.182 -7.830 1.00 0.00 O ATOM 476 OD2 ASP A 30 75.011 -21.670 -9.347 1.00 0.00 O ATOM 0 H ASP A 30 72.104 -18.878 -8.376 1.00 0.00 H new ATOM 0 HA ASP A 30 74.894 -17.880 -8.469 1.00 0.00 H new ATOM 0 HB2 ASP A 30 73.400 -19.856 -10.264 1.00 0.00 H new ATOM 0 HB3 ASP A 30 74.989 -19.215 -10.633 1.00 0.00 H new ATOM 481 N THR A 31 74.496 -16.544 -10.678 1.00 0.00 N ATOM 482 CA THR A 31 74.203 -15.476 -11.627 1.00 0.00 C ATOM 483 C THR A 31 74.474 -15.958 -13.047 1.00 0.00 C ATOM 484 O THR A 31 75.484 -16.616 -13.301 1.00 0.00 O ATOM 485 CB THR A 31 75.076 -14.256 -11.323 1.00 0.00 C ATOM 486 OG1 THR A 31 74.798 -13.790 -10.009 1.00 0.00 O ATOM 487 CG2 THR A 31 74.788 -13.151 -12.337 1.00 0.00 C ATOM 0 H THR A 31 75.478 -16.818 -10.642 1.00 0.00 H new ATOM 0 HA THR A 31 73.153 -15.198 -11.536 1.00 0.00 H new ATOM 0 HB THR A 31 76.127 -14.536 -11.391 1.00 0.00 H new ATOM 0 HG1 THR A 31 75.095 -14.457 -9.356 1.00 0.00 H new ATOM 0 HG21 THR A 31 75.411 -12.284 -12.117 1.00 0.00 H new ATOM 0 HG22 THR A 31 75.009 -13.512 -13.341 1.00 0.00 H new ATOM 0 HG23 THR A 31 73.737 -12.867 -12.277 1.00 0.00 H new ATOM 495 N VAL A 32 73.579 -15.632 -13.975 1.00 0.00 N ATOM 496 CA VAL A 32 73.765 -16.052 -15.359 1.00 0.00 C ATOM 497 C VAL A 32 73.387 -14.935 -16.327 1.00 0.00 C ATOM 498 O VAL A 32 72.409 -14.221 -16.113 1.00 0.00 O ATOM 499 CB VAL A 32 72.932 -17.304 -15.648 1.00 0.00 C ATOM 500 CG1 VAL A 32 71.444 -16.966 -15.578 1.00 0.00 C ATOM 501 CG2 VAL A 32 73.269 -17.829 -17.045 1.00 0.00 C ATOM 0 H VAL A 32 72.734 -15.089 -13.799 1.00 0.00 H new ATOM 0 HA VAL A 32 74.820 -16.284 -15.503 1.00 0.00 H new ATOM 0 HB VAL A 32 73.162 -18.067 -14.904 1.00 0.00 H new ATOM 0 HG11 VAL A 32 70.857 -17.861 -15.785 1.00 0.00 H new ATOM 0 HG12 VAL A 32 71.202 -16.595 -14.582 1.00 0.00 H new ATOM 0 HG13 VAL A 32 71.210 -16.200 -16.317 1.00 0.00 H new ATOM 0 HG21 VAL A 32 72.676 -18.720 -17.251 1.00 0.00 H new ATOM 0 HG22 VAL A 32 73.042 -17.063 -17.786 1.00 0.00 H new ATOM 0 HG23 VAL A 32 74.329 -18.079 -17.094 1.00 0.00 H new ATOM 511 N ILE A 33 74.175 -14.788 -17.390 1.00 0.00 N ATOM 512 CA ILE A 33 73.915 -13.748 -18.382 1.00 0.00 C ATOM 513 C ILE A 33 73.912 -14.317 -19.801 1.00 0.00 C ATOM 514 O ILE A 33 74.497 -15.369 -20.062 1.00 0.00 O ATOM 515 CB ILE A 33 74.976 -12.648 -18.265 1.00 0.00 C ATOM 516 CG1 ILE A 33 76.357 -13.217 -18.615 1.00 0.00 C ATOM 517 CG2 ILE A 33 75.000 -12.114 -16.832 1.00 0.00 C ATOM 518 CD1 ILE A 33 77.391 -12.089 -18.607 1.00 0.00 C ATOM 0 H ILE A 33 74.990 -15.369 -17.585 1.00 0.00 H new ATOM 0 HA ILE A 33 72.927 -13.331 -18.186 1.00 0.00 H new ATOM 0 HB ILE A 33 74.732 -11.841 -18.955 1.00 0.00 H new ATOM 0 HG12 ILE A 33 76.638 -13.987 -17.896 1.00 0.00 H new ATOM 0 HG13 ILE A 33 76.329 -13.692 -19.596 1.00 0.00 H new ATOM 0 HG21 ILE A 33 75.754 -11.332 -16.748 1.00 0.00 H new ATOM 0 HG22 ILE A 33 74.022 -11.704 -16.580 1.00 0.00 H new ATOM 0 HG23 ILE A 33 75.241 -12.926 -16.145 1.00 0.00 H new ATOM 0 HD11 ILE A 33 78.372 -12.493 -18.856 1.00 0.00 H new ATOM 0 HD12 ILE A 33 77.112 -11.335 -19.343 1.00 0.00 H new ATOM 0 HD13 ILE A 33 77.426 -11.635 -17.617 1.00 0.00 H new ATOM 530 N GLU A 34 73.259 -13.602 -20.715 1.00 0.00 N ATOM 531 CA GLU A 34 73.192 -14.025 -22.112 1.00 0.00 C ATOM 532 C GLU A 34 74.588 -14.182 -22.704 1.00 0.00 C ATOM 533 O GLU A 34 75.531 -13.507 -22.292 1.00 0.00 O ATOM 534 CB GLU A 34 72.401 -12.999 -22.931 1.00 0.00 C ATOM 535 CG GLU A 34 72.342 -13.431 -24.404 1.00 0.00 C ATOM 536 CD GLU A 34 71.579 -12.395 -25.221 1.00 0.00 C ATOM 537 OE1 GLU A 34 71.204 -11.381 -24.655 1.00 0.00 O ATOM 538 OE2 GLU A 34 71.380 -12.633 -26.401 1.00 0.00 O ATOM 0 H GLU A 34 72.770 -12.730 -20.514 1.00 0.00 H new ATOM 0 HA GLU A 34 72.689 -14.991 -22.150 1.00 0.00 H new ATOM 0 HB2 GLU A 34 71.391 -12.904 -22.531 1.00 0.00 H new ATOM 0 HB3 GLU A 34 72.870 -12.018 -22.850 1.00 0.00 H new ATOM 0 HG2 GLU A 34 73.352 -13.546 -24.799 1.00 0.00 H new ATOM 0 HG3 GLU A 34 71.855 -14.403 -24.487 1.00 0.00 H new ATOM 545 N GLU A 35 74.705 -15.075 -23.683 1.00 0.00 N ATOM 546 CA GLU A 35 75.982 -15.313 -24.343 1.00 0.00 C ATOM 547 C GLU A 35 76.132 -14.397 -25.549 1.00 0.00 C ATOM 548 O GLU A 35 75.200 -14.235 -26.337 1.00 0.00 O ATOM 549 CB GLU A 35 76.081 -16.772 -24.791 1.00 0.00 C ATOM 550 CG GLU A 35 77.483 -17.043 -25.343 1.00 0.00 C ATOM 551 CD GLU A 35 77.561 -18.458 -25.905 1.00 0.00 C ATOM 552 OE1 GLU A 35 76.548 -19.140 -25.885 1.00 0.00 O ATOM 553 OE2 GLU A 35 78.632 -18.839 -26.348 1.00 0.00 O ATOM 0 H GLU A 35 73.934 -15.643 -24.034 1.00 0.00 H new ATOM 0 HA GLU A 35 76.782 -15.101 -23.634 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.875 -17.436 -23.952 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.331 -16.981 -25.554 1.00 0.00 H new ATOM 0 HG2 GLU A 35 77.721 -16.320 -26.123 1.00 0.00 H new ATOM 0 HG3 GLU A 35 78.224 -16.916 -24.554 1.00 0.00 H new ATOM 560 N MET A 36 77.310 -13.801 -25.690 1.00 0.00 N ATOM 561 CA MET A 36 77.576 -12.905 -26.805 1.00 0.00 C ATOM 562 C MET A 36 79.071 -12.885 -27.106 1.00 0.00 C ATOM 563 O MET A 36 79.889 -13.003 -26.197 1.00 0.00 O ATOM 564 CB MET A 36 77.102 -11.491 -26.464 1.00 0.00 C ATOM 565 CG MET A 36 77.165 -10.616 -27.716 1.00 0.00 C ATOM 566 SD MET A 36 76.816 -8.898 -27.266 1.00 0.00 S ATOM 567 CE MET A 36 75.139 -9.162 -26.637 1.00 0.00 C ATOM 0 H MET A 36 78.093 -13.922 -25.048 1.00 0.00 H new ATOM 0 HA MET A 36 77.036 -13.261 -27.682 1.00 0.00 H new ATOM 0 HB2 MET A 36 76.083 -11.521 -26.079 1.00 0.00 H new ATOM 0 HB3 MET A 36 77.727 -11.066 -25.679 1.00 0.00 H new ATOM 0 HG2 MET A 36 78.150 -10.690 -28.176 1.00 0.00 H new ATOM 0 HG3 MET A 36 76.442 -10.964 -28.454 1.00 0.00 H new ATOM 0 HE1 MET A 36 74.599 -8.215 -26.633 1.00 0.00 H new ATOM 0 HE2 MET A 36 74.618 -9.874 -27.277 1.00 0.00 H new ATOM 0 HE3 MET A 36 75.189 -9.556 -25.622 1.00 0.00 H new ATOM 577 N SER A 37 79.414 -12.745 -28.382 1.00 0.00 N ATOM 578 CA SER A 37 80.817 -12.718 -28.793 1.00 0.00 C ATOM 579 C SER A 37 81.689 -12.079 -27.713 1.00 0.00 C ATOM 580 O SER A 37 81.927 -10.871 -27.727 1.00 0.00 O ATOM 581 CB SER A 37 80.961 -11.935 -30.099 1.00 0.00 C ATOM 582 OG SER A 37 82.331 -11.897 -30.476 1.00 0.00 O ATOM 0 H SER A 37 78.746 -12.649 -29.147 1.00 0.00 H new ATOM 0 HA SER A 37 81.149 -13.745 -28.944 1.00 0.00 H new ATOM 0 HB2 SER A 37 80.369 -12.404 -30.885 1.00 0.00 H new ATOM 0 HB3 SER A 37 80.578 -10.922 -29.973 1.00 0.00 H new ATOM 0 HG SER A 37 82.426 -11.397 -31.314 1.00 0.00 H new ATOM 588 N LEU A 38 82.159 -12.900 -26.773 1.00 0.00 N ATOM 589 CA LEU A 38 83.001 -12.412 -25.684 1.00 0.00 C ATOM 590 C LEU A 38 84.306 -13.206 -25.619 1.00 0.00 C ATOM 591 O LEU A 38 84.428 -14.151 -24.838 1.00 0.00 O ATOM 592 CB LEU A 38 82.260 -12.539 -24.349 1.00 0.00 C ATOM 593 CG LEU A 38 82.889 -11.596 -23.320 1.00 0.00 C ATOM 594 CD1 LEU A 38 82.095 -10.290 -23.272 1.00 0.00 C ATOM 595 CD2 LEU A 38 82.862 -12.257 -21.940 1.00 0.00 C ATOM 0 H LEU A 38 81.971 -13.902 -26.745 1.00 0.00 H new ATOM 0 HA LEU A 38 83.232 -11.364 -25.872 1.00 0.00 H new ATOM 0 HB2 LEU A 38 81.206 -12.297 -24.482 1.00 0.00 H new ATOM 0 HB3 LEU A 38 82.308 -13.568 -23.991 1.00 0.00 H new ATOM 0 HG LEU A 38 83.920 -11.385 -23.604 1.00 0.00 H new ATOM 0 HD11 LEU A 38 82.543 -9.619 -22.539 1.00 0.00 H new ATOM 0 HD12 LEU A 38 82.111 -9.818 -24.254 1.00 0.00 H new ATOM 0 HD13 LEU A 38 81.064 -10.501 -22.988 1.00 0.00 H new ATOM 0 HD21 LEU A 38 83.310 -11.586 -21.207 1.00 0.00 H new ATOM 0 HD22 LEU A 38 81.830 -12.467 -21.657 1.00 0.00 H new ATOM 0 HD23 LEU A 38 83.427 -13.189 -21.972 1.00 0.00 H new ATOM 607 N PRO A 39 85.271 -12.847 -26.425 1.00 0.00 N ATOM 608 CA PRO A 39 86.591 -13.545 -26.468 1.00 0.00 C ATOM 609 C PRO A 39 87.180 -13.773 -25.076 1.00 0.00 C ATOM 610 O PRO A 39 86.533 -13.505 -24.063 1.00 0.00 O ATOM 611 CB PRO A 39 87.471 -12.598 -27.285 1.00 0.00 C ATOM 612 CG PRO A 39 86.525 -11.848 -28.163 1.00 0.00 C ATOM 613 CD PRO A 39 85.212 -11.734 -27.388 1.00 0.00 C ATOM 0 HA PRO A 39 86.509 -14.543 -26.899 1.00 0.00 H new ATOM 0 HB2 PRO A 39 88.029 -11.921 -26.638 1.00 0.00 H new ATOM 0 HB3 PRO A 39 88.203 -13.150 -27.875 1.00 0.00 H new ATOM 0 HG2 PRO A 39 86.920 -10.861 -28.405 1.00 0.00 H new ATOM 0 HG3 PRO A 39 86.374 -12.371 -29.107 1.00 0.00 H new ATOM 0 HD2 PRO A 39 85.129 -10.772 -26.882 1.00 0.00 H new ATOM 0 HD3 PRO A 39 84.349 -11.822 -28.048 1.00 0.00 H new ATOM 621 N GLY A 40 88.413 -14.269 -25.042 1.00 0.00 N ATOM 622 CA GLY A 40 89.087 -14.533 -23.776 1.00 0.00 C ATOM 623 C GLY A 40 89.271 -16.031 -23.550 1.00 0.00 C ATOM 624 O GLY A 40 89.862 -16.723 -24.378 1.00 0.00 O ATOM 0 H GLY A 40 88.963 -14.495 -25.871 1.00 0.00 H new ATOM 0 HA2 GLY A 40 90.059 -14.039 -23.769 1.00 0.00 H new ATOM 0 HA3 GLY A 40 88.507 -14.108 -22.957 1.00 0.00 H new ATOM 628 N ARG A 41 88.761 -16.523 -22.425 1.00 0.00 N ATOM 629 CA ARG A 41 88.876 -17.940 -22.100 1.00 0.00 C ATOM 630 C ARG A 41 87.489 -18.567 -21.989 1.00 0.00 C ATOM 631 O ARG A 41 86.553 -17.938 -21.495 1.00 0.00 O ATOM 632 CB ARG A 41 89.620 -18.108 -20.771 1.00 0.00 C ATOM 633 CG ARG A 41 90.976 -17.396 -20.834 1.00 0.00 C ATOM 634 CD ARG A 41 91.962 -18.211 -21.676 1.00 0.00 C ATOM 635 NE ARG A 41 93.301 -17.647 -21.570 1.00 0.00 N ATOM 636 CZ ARG A 41 94.371 -18.347 -21.925 1.00 0.00 C ATOM 637 NH1 ARG A 41 94.237 -19.568 -22.365 1.00 0.00 N ATOM 638 NH2 ARG A 41 95.559 -17.814 -21.832 1.00 0.00 N ATOM 0 H ARG A 41 88.267 -15.966 -21.728 1.00 0.00 H new ATOM 0 HA ARG A 41 89.432 -18.439 -22.894 1.00 0.00 H new ATOM 0 HB2 ARG A 41 89.023 -17.698 -19.956 1.00 0.00 H new ATOM 0 HB3 ARG A 41 89.766 -19.167 -20.558 1.00 0.00 H new ATOM 0 HG2 ARG A 41 90.854 -16.402 -21.265 1.00 0.00 H new ATOM 0 HG3 ARG A 41 91.371 -17.261 -19.827 1.00 0.00 H new ATOM 0 HD2 ARG A 41 91.969 -19.248 -21.339 1.00 0.00 H new ATOM 0 HD3 ARG A 41 91.643 -18.216 -22.718 1.00 0.00 H new ATOM 0 HE ARG A 41 93.418 -16.697 -21.217 1.00 0.00 H new ATOM 0 HH11 ARG A 41 93.309 -19.985 -22.436 1.00 0.00 H new ATOM 0 HH12 ARG A 41 95.060 -20.105 -22.638 1.00 0.00 H new ATOM 0 HH21 ARG A 41 95.664 -16.860 -21.487 1.00 0.00 H new ATOM 0 HH22 ARG A 41 96.382 -18.351 -22.105 1.00 0.00 H new ATOM 652 N TRP A 42 87.361 -19.805 -22.452 1.00 0.00 N ATOM 653 CA TRP A 42 86.077 -20.494 -22.398 1.00 0.00 C ATOM 654 C TRP A 42 86.143 -21.706 -21.475 1.00 0.00 C ATOM 655 O TRP A 42 87.038 -22.543 -21.592 1.00 0.00 O ATOM 656 CB TRP A 42 85.670 -20.938 -23.804 1.00 0.00 C ATOM 657 CG TRP A 42 86.708 -21.862 -24.357 1.00 0.00 C ATOM 658 CD1 TRP A 42 87.924 -21.480 -24.808 1.00 0.00 C ATOM 659 CD2 TRP A 42 86.641 -23.306 -24.531 1.00 0.00 C ATOM 660 NE1 TRP A 42 88.611 -22.599 -25.245 1.00 0.00 N ATOM 661 CE2 TRP A 42 87.862 -23.749 -25.094 1.00 0.00 C ATOM 662 CE3 TRP A 42 85.652 -24.267 -24.256 1.00 0.00 C ATOM 663 CZ2 TRP A 42 88.092 -25.096 -25.374 1.00 0.00 C ATOM 664 CZ3 TRP A 42 85.880 -25.623 -24.537 1.00 0.00 C ATOM 665 CH2 TRP A 42 87.098 -26.038 -25.095 1.00 0.00 C ATOM 0 H TRP A 42 88.120 -20.347 -22.864 1.00 0.00 H new ATOM 0 HA TRP A 42 85.334 -19.802 -22.002 1.00 0.00 H new ATOM 0 HB2 TRP A 42 84.702 -21.439 -23.773 1.00 0.00 H new ATOM 0 HB3 TRP A 42 85.559 -20.069 -24.453 1.00 0.00 H new ATOM 0 HD1 TRP A 42 88.298 -20.467 -24.825 1.00 0.00 H new ATOM 0 HE1 TRP A 42 89.555 -22.577 -25.631 1.00 0.00 H new ATOM 0 HE3 TRP A 42 84.710 -23.959 -23.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 89.032 -25.409 -25.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 85.112 -26.352 -24.322 1.00 0.00 H new ATOM 0 HH2 TRP A 42 87.267 -27.083 -25.309 1.00 0.00 H new ATOM 676 N LYS A 43 85.180 -21.794 -20.562 1.00 0.00 N ATOM 677 CA LYS A 43 85.121 -22.908 -19.622 1.00 0.00 C ATOM 678 C LYS A 43 83.811 -23.684 -19.816 1.00 0.00 C ATOM 679 O LYS A 43 82.738 -23.166 -19.502 1.00 0.00 O ATOM 680 CB LYS A 43 85.192 -22.381 -18.186 1.00 0.00 C ATOM 681 CG LYS A 43 86.327 -21.362 -18.071 1.00 0.00 C ATOM 682 CD LYS A 43 87.650 -22.024 -18.465 1.00 0.00 C ATOM 683 CE LYS A 43 88.801 -21.352 -17.713 1.00 0.00 C ATOM 684 NZ LYS A 43 90.077 -21.586 -18.448 1.00 0.00 N ATOM 0 H LYS A 43 84.432 -21.109 -20.453 1.00 0.00 H new ATOM 0 HA LYS A 43 85.966 -23.572 -19.806 1.00 0.00 H new ATOM 0 HB2 LYS A 43 84.244 -21.918 -17.910 1.00 0.00 H new ATOM 0 HB3 LYS A 43 85.358 -23.206 -17.493 1.00 0.00 H new ATOM 0 HG2 LYS A 43 86.129 -20.507 -18.718 1.00 0.00 H new ATOM 0 HG3 LYS A 43 86.388 -20.983 -17.051 1.00 0.00 H new ATOM 0 HD2 LYS A 43 87.620 -23.088 -18.230 1.00 0.00 H new ATOM 0 HD3 LYS A 43 87.805 -21.939 -19.541 1.00 0.00 H new ATOM 0 HE2 LYS A 43 88.613 -20.282 -17.620 1.00 0.00 H new ATOM 0 HE3 LYS A 43 88.872 -21.753 -16.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 90.860 -21.130 -17.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 90.256 -22.608 -18.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 90.006 -21.183 -19.404 1.00 0.00 H new ATOM 698 N PRO A 44 83.856 -24.893 -20.337 1.00 0.00 N ATOM 699 CA PRO A 44 82.621 -25.693 -20.572 1.00 0.00 C ATOM 700 C PRO A 44 82.004 -26.226 -19.280 1.00 0.00 C ATOM 701 O PRO A 44 82.709 -26.671 -18.376 1.00 0.00 O ATOM 702 CB PRO A 44 83.079 -26.840 -21.474 1.00 0.00 C ATOM 703 CG PRO A 44 84.550 -26.976 -21.256 1.00 0.00 C ATOM 704 CD PRO A 44 85.067 -25.628 -20.749 1.00 0.00 C ATOM 0 HA PRO A 44 81.836 -25.084 -21.020 1.00 0.00 H new ATOM 0 HB2 PRO A 44 82.560 -27.765 -21.222 1.00 0.00 H new ATOM 0 HB3 PRO A 44 82.858 -26.626 -22.520 1.00 0.00 H new ATOM 0 HG2 PRO A 44 84.759 -27.764 -20.532 1.00 0.00 H new ATOM 0 HG3 PRO A 44 85.051 -27.254 -22.183 1.00 0.00 H new ATOM 0 HD2 PRO A 44 85.755 -25.757 -19.914 1.00 0.00 H new ATOM 0 HD3 PRO A 44 85.609 -25.093 -21.529 1.00 0.00 H new ATOM 712 N LYS A 45 80.678 -26.180 -19.216 1.00 0.00 N ATOM 713 CA LYS A 45 79.947 -26.664 -18.049 1.00 0.00 C ATOM 714 C LYS A 45 78.760 -27.505 -18.507 1.00 0.00 C ATOM 715 O LYS A 45 78.122 -27.186 -19.509 1.00 0.00 O ATOM 716 CB LYS A 45 79.463 -25.480 -17.210 1.00 0.00 C ATOM 717 CG LYS A 45 78.946 -25.984 -15.861 1.00 0.00 C ATOM 718 CD LYS A 45 78.463 -24.796 -15.025 1.00 0.00 C ATOM 719 CE LYS A 45 78.123 -25.273 -13.612 1.00 0.00 C ATOM 720 NZ LYS A 45 79.152 -24.768 -12.660 1.00 0.00 N ATOM 0 H LYS A 45 80.085 -25.812 -19.960 1.00 0.00 H new ATOM 0 HA LYS A 45 80.606 -27.279 -17.437 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.278 -24.772 -17.057 1.00 0.00 H new ATOM 0 HB3 LYS A 45 78.672 -24.947 -17.738 1.00 0.00 H new ATOM 0 HG2 LYS A 45 78.131 -26.691 -16.013 1.00 0.00 H new ATOM 0 HG3 LYS A 45 79.736 -26.517 -15.333 1.00 0.00 H new ATOM 0 HD2 LYS A 45 79.235 -24.028 -14.985 1.00 0.00 H new ATOM 0 HD3 LYS A 45 77.586 -24.344 -15.489 1.00 0.00 H new ATOM 0 HE2 LYS A 45 77.136 -24.913 -13.322 1.00 0.00 H new ATOM 0 HE3 LYS A 45 78.087 -26.362 -13.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 78.923 -25.091 -11.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 80.087 -25.132 -12.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 79.165 -23.728 -12.682 1.00 0.00 H new ATOM 734 N MET A 46 78.468 -28.586 -17.788 1.00 0.00 N ATOM 735 CA MET A 46 77.355 -29.454 -18.167 1.00 0.00 C ATOM 736 C MET A 46 76.223 -29.388 -17.145 1.00 0.00 C ATOM 737 O MET A 46 76.192 -30.162 -16.187 1.00 0.00 O ATOM 738 CB MET A 46 77.847 -30.898 -18.289 1.00 0.00 C ATOM 739 CG MET A 46 78.903 -30.983 -19.391 1.00 0.00 C ATOM 740 SD MET A 46 79.398 -32.709 -19.619 1.00 0.00 S ATOM 741 CE MET A 46 80.735 -32.407 -20.800 1.00 0.00 C ATOM 0 H MET A 46 78.976 -28.879 -16.954 1.00 0.00 H new ATOM 0 HA MET A 46 76.969 -29.108 -19.126 1.00 0.00 H new ATOM 0 HB2 MET A 46 78.268 -31.232 -17.340 1.00 0.00 H new ATOM 0 HB3 MET A 46 77.012 -31.560 -18.518 1.00 0.00 H new ATOM 0 HG2 MET A 46 78.505 -30.581 -20.323 1.00 0.00 H new ATOM 0 HG3 MET A 46 79.769 -30.377 -19.127 1.00 0.00 H new ATOM 0 HE1 MET A 46 81.191 -33.355 -21.083 1.00 0.00 H new ATOM 0 HE2 MET A 46 80.333 -31.918 -21.687 1.00 0.00 H new ATOM 0 HE3 MET A 46 81.487 -31.765 -20.342 1.00 0.00 H new ATOM 751 N ILE A 47 75.295 -28.460 -17.354 1.00 0.00 N ATOM 752 CA ILE A 47 74.165 -28.299 -16.443 1.00 0.00 C ATOM 753 C ILE A 47 72.842 -28.452 -17.189 1.00 0.00 C ATOM 754 O ILE A 47 72.817 -28.852 -18.353 1.00 0.00 O ATOM 755 CB ILE A 47 74.226 -26.932 -15.765 1.00 0.00 C ATOM 756 CG1 ILE A 47 74.258 -25.834 -16.830 1.00 0.00 C ATOM 757 CG2 ILE A 47 75.490 -26.846 -14.907 1.00 0.00 C ATOM 758 CD1 ILE A 47 74.134 -24.466 -16.157 1.00 0.00 C ATOM 0 H ILE A 47 75.301 -27.811 -18.141 1.00 0.00 H new ATOM 0 HA ILE A 47 74.225 -29.078 -15.683 1.00 0.00 H new ATOM 0 HB ILE A 47 73.347 -26.800 -15.134 1.00 0.00 H new ATOM 0 HG12 ILE A 47 75.188 -25.889 -17.397 1.00 0.00 H new ATOM 0 HG13 ILE A 47 73.443 -25.977 -17.540 1.00 0.00 H new ATOM 0 HG21 ILE A 47 75.535 -25.871 -14.422 1.00 0.00 H new ATOM 0 HG22 ILE A 47 75.468 -27.628 -14.148 1.00 0.00 H new ATOM 0 HG23 ILE A 47 76.368 -26.978 -15.539 1.00 0.00 H new ATOM 0 HD11 ILE A 47 74.157 -23.684 -16.916 1.00 0.00 H new ATOM 0 HD12 ILE A 47 73.193 -24.414 -15.610 1.00 0.00 H new ATOM 0 HD13 ILE A 47 74.964 -24.324 -15.465 1.00 0.00 H new ATOM 770 N GLY A 48 71.743 -28.127 -16.512 1.00 0.00 N ATOM 771 CA GLY A 48 70.421 -28.231 -17.124 1.00 0.00 C ATOM 772 C GLY A 48 69.402 -28.798 -16.141 1.00 0.00 C ATOM 773 O GLY A 48 68.269 -28.323 -16.066 1.00 0.00 O ATOM 0 H GLY A 48 71.741 -27.792 -15.548 1.00 0.00 H new ATOM 0 HA2 GLY A 48 70.096 -27.247 -17.462 1.00 0.00 H new ATOM 0 HA3 GLY A 48 70.475 -28.870 -18.006 1.00 0.00 H new ATOM 777 N GLY A 49 69.813 -29.813 -15.388 1.00 0.00 N ATOM 778 CA GLY A 49 68.925 -30.434 -14.412 1.00 0.00 C ATOM 779 C GLY A 49 67.758 -31.139 -15.099 1.00 0.00 C ATOM 780 O GLY A 49 67.714 -32.367 -15.160 1.00 0.00 O ATOM 0 H GLY A 49 70.747 -30.220 -15.434 1.00 0.00 H new ATOM 0 HA2 GLY A 49 69.485 -31.151 -13.812 1.00 0.00 H new ATOM 0 HA3 GLY A 49 68.544 -29.675 -13.729 1.00 0.00 H new ATOM 784 N ILE A 50 66.816 -30.353 -15.611 1.00 0.00 N ATOM 785 CA ILE A 50 65.650 -30.914 -16.288 1.00 0.00 C ATOM 786 C ILE A 50 65.683 -30.588 -17.778 1.00 0.00 C ATOM 787 O ILE A 50 66.080 -29.494 -18.176 1.00 0.00 O ATOM 788 CB ILE A 50 64.367 -30.357 -15.669 1.00 0.00 C ATOM 789 CG1 ILE A 50 64.348 -30.674 -14.172 1.00 0.00 C ATOM 790 CG2 ILE A 50 63.154 -31.003 -16.341 1.00 0.00 C ATOM 791 CD1 ILE A 50 63.127 -30.014 -13.527 1.00 0.00 C ATOM 0 H ILE A 50 66.835 -29.334 -15.571 1.00 0.00 H new ATOM 0 HA ILE A 50 65.671 -31.997 -16.166 1.00 0.00 H new ATOM 0 HB ILE A 50 64.331 -29.277 -15.815 1.00 0.00 H new ATOM 0 HG12 ILE A 50 64.316 -31.753 -14.018 1.00 0.00 H new ATOM 0 HG13 ILE A 50 65.262 -30.312 -13.701 1.00 0.00 H new ATOM 0 HG21 ILE A 50 62.240 -30.606 -15.900 1.00 0.00 H new ATOM 0 HG22 ILE A 50 63.168 -30.781 -17.408 1.00 0.00 H new ATOM 0 HG23 ILE A 50 63.189 -32.083 -16.194 1.00 0.00 H new ATOM 0 HD11 ILE A 50 63.113 -30.239 -12.461 1.00 0.00 H new ATOM 0 HD12 ILE A 50 63.179 -28.935 -13.669 1.00 0.00 H new ATOM 0 HD13 ILE A 50 62.218 -30.398 -13.991 1.00 0.00 H new ATOM 803 N GLY A 51 65.267 -31.549 -18.597 1.00 0.00 N ATOM 804 CA GLY A 51 65.260 -31.359 -20.042 1.00 0.00 C ATOM 805 C GLY A 51 66.608 -31.746 -20.637 1.00 0.00 C ATOM 806 O GLY A 51 66.971 -31.304 -21.726 1.00 0.00 O ATOM 0 H GLY A 51 64.933 -32.461 -18.287 1.00 0.00 H new ATOM 0 HA2 GLY A 51 64.471 -31.963 -20.490 1.00 0.00 H new ATOM 0 HA3 GLY A 51 65.037 -30.318 -20.277 1.00 0.00 H new ATOM 810 N GLY A 52 67.348 -32.572 -19.904 1.00 0.00 N ATOM 811 CA GLY A 52 68.659 -33.014 -20.356 1.00 0.00 C ATOM 812 C GLY A 52 69.739 -32.048 -19.886 1.00 0.00 C ATOM 813 O GLY A 52 69.476 -31.150 -19.087 1.00 0.00 O ATOM 0 H GLY A 52 67.062 -32.946 -18.999 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.865 -34.013 -19.972 1.00 0.00 H new ATOM 0 HA3 GLY A 52 68.671 -33.081 -21.444 1.00 0.00 H new ATOM 817 N PHE A 53 70.955 -32.237 -20.382 1.00 0.00 N ATOM 818 CA PHE A 53 72.063 -31.372 -19.997 1.00 0.00 C ATOM 819 C PHE A 53 72.483 -30.484 -21.161 1.00 0.00 C ATOM 820 O PHE A 53 72.597 -30.947 -22.297 1.00 0.00 O ATOM 821 CB PHE A 53 73.253 -32.218 -19.541 1.00 0.00 C ATOM 822 CG PHE A 53 72.848 -33.048 -18.347 1.00 0.00 C ATOM 823 CD1 PHE A 53 72.858 -32.483 -17.066 1.00 0.00 C ATOM 824 CD2 PHE A 53 72.461 -34.383 -18.521 1.00 0.00 C ATOM 825 CE1 PHE A 53 72.480 -33.253 -15.960 1.00 0.00 C ATOM 826 CE2 PHE A 53 72.084 -35.152 -17.415 1.00 0.00 C ATOM 827 CZ PHE A 53 72.093 -34.587 -16.134 1.00 0.00 C ATOM 0 H PHE A 53 71.198 -32.973 -21.045 1.00 0.00 H new ATOM 0 HA PHE A 53 71.733 -30.737 -19.175 1.00 0.00 H new ATOM 0 HB2 PHE A 53 73.585 -32.866 -20.352 1.00 0.00 H new ATOM 0 HB3 PHE A 53 74.094 -31.574 -19.282 1.00 0.00 H new ATOM 0 HD1 PHE A 53 73.157 -31.454 -16.931 1.00 0.00 H new ATOM 0 HD2 PHE A 53 72.454 -34.819 -19.509 1.00 0.00 H new ATOM 0 HE1 PHE A 53 72.487 -32.818 -14.972 1.00 0.00 H new ATOM 0 HE2 PHE A 53 71.786 -36.181 -17.549 1.00 0.00 H new ATOM 0 HZ PHE A 53 71.801 -35.180 -15.280 1.00 0.00 H new ATOM 837 N ILE A 54 72.710 -29.207 -20.872 1.00 0.00 N ATOM 838 CA ILE A 54 73.119 -28.258 -21.899 1.00 0.00 C ATOM 839 C ILE A 54 74.504 -27.706 -21.574 1.00 0.00 C ATOM 840 O ILE A 54 74.846 -27.518 -20.404 1.00 0.00 O ATOM 841 CB ILE A 54 72.110 -27.110 -21.977 1.00 0.00 C ATOM 842 CG1 ILE A 54 72.493 -26.170 -23.123 1.00 0.00 C ATOM 843 CG2 ILE A 54 72.116 -26.333 -20.660 1.00 0.00 C ATOM 844 CD1 ILE A 54 71.303 -25.269 -23.460 1.00 0.00 C ATOM 0 H ILE A 54 72.618 -28.807 -19.938 1.00 0.00 H new ATOM 0 HA ILE A 54 73.155 -28.769 -22.861 1.00 0.00 H new ATOM 0 HB ILE A 54 71.114 -27.516 -22.155 1.00 0.00 H new ATOM 0 HG12 ILE A 54 73.353 -25.564 -22.839 1.00 0.00 H new ATOM 0 HG13 ILE A 54 72.786 -26.748 -24.000 1.00 0.00 H new ATOM 0 HG21 ILE A 54 71.397 -25.516 -20.717 1.00 0.00 H new ATOM 0 HG22 ILE A 54 71.843 -27.000 -19.843 1.00 0.00 H new ATOM 0 HG23 ILE A 54 73.112 -25.928 -20.481 1.00 0.00 H new ATOM 0 HD11 ILE A 54 71.574 -24.599 -24.276 1.00 0.00 H new ATOM 0 HD12 ILE A 54 70.455 -25.884 -23.762 1.00 0.00 H new ATOM 0 HD13 ILE A 54 71.031 -24.682 -22.583 1.00 0.00 H new ATOM 856 N LYS A 55 75.300 -27.456 -22.607 1.00 0.00 N ATOM 857 CA LYS A 55 76.647 -26.937 -22.406 1.00 0.00 C ATOM 858 C LYS A 55 76.620 -25.424 -22.216 1.00 0.00 C ATOM 859 O LYS A 55 76.246 -24.681 -23.123 1.00 0.00 O ATOM 860 CB LYS A 55 77.523 -27.280 -23.615 1.00 0.00 C ATOM 861 CG LYS A 55 77.626 -28.800 -23.760 1.00 0.00 C ATOM 862 CD LYS A 55 78.588 -29.137 -24.902 1.00 0.00 C ATOM 863 CE LYS A 55 78.591 -30.647 -25.141 1.00 0.00 C ATOM 864 NZ LYS A 55 79.359 -30.952 -26.380 1.00 0.00 N ATOM 0 H LYS A 55 75.040 -27.602 -23.582 1.00 0.00 H new ATOM 0 HA LYS A 55 77.061 -27.398 -21.509 1.00 0.00 H new ATOM 0 HB2 LYS A 55 77.097 -26.846 -24.520 1.00 0.00 H new ATOM 0 HB3 LYS A 55 78.516 -26.848 -23.491 1.00 0.00 H new ATOM 0 HG2 LYS A 55 77.980 -29.242 -22.829 1.00 0.00 H new ATOM 0 HG3 LYS A 55 76.642 -29.225 -23.961 1.00 0.00 H new ATOM 0 HD2 LYS A 55 78.287 -28.615 -25.811 1.00 0.00 H new ATOM 0 HD3 LYS A 55 79.594 -28.795 -24.657 1.00 0.00 H new ATOM 0 HE2 LYS A 55 79.037 -31.160 -24.289 1.00 0.00 H new ATOM 0 HE3 LYS A 55 77.569 -31.013 -25.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 79.361 -31.979 -26.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 78.915 -30.474 -27.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 80.338 -30.616 -26.273 1.00 0.00 H new ATOM 878 N VAL A 56 77.018 -24.975 -21.029 1.00 0.00 N ATOM 879 CA VAL A 56 77.036 -23.549 -20.724 1.00 0.00 C ATOM 880 C VAL A 56 78.472 -23.080 -20.492 1.00 0.00 C ATOM 881 O VAL A 56 79.256 -23.757 -19.826 1.00 0.00 O ATOM 882 CB VAL A 56 76.183 -23.284 -19.478 1.00 0.00 C ATOM 883 CG1 VAL A 56 76.166 -21.788 -19.158 1.00 0.00 C ATOM 884 CG2 VAL A 56 74.751 -23.753 -19.744 1.00 0.00 C ATOM 0 H VAL A 56 77.331 -25.575 -20.266 1.00 0.00 H new ATOM 0 HA VAL A 56 76.623 -22.994 -21.566 1.00 0.00 H new ATOM 0 HB VAL A 56 76.608 -23.826 -18.633 1.00 0.00 H new ATOM 0 HG11 VAL A 56 75.557 -21.613 -18.271 1.00 0.00 H new ATOM 0 HG12 VAL A 56 77.184 -21.444 -18.973 1.00 0.00 H new ATOM 0 HG13 VAL A 56 75.745 -21.240 -20.001 1.00 0.00 H new ATOM 0 HG21 VAL A 56 74.138 -23.568 -18.862 1.00 0.00 H new ATOM 0 HG22 VAL A 56 74.341 -23.206 -20.593 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.753 -24.820 -19.967 1.00 0.00 H new ATOM 894 N ARG A 57 78.812 -21.923 -21.053 1.00 0.00 N ATOM 895 CA ARG A 57 80.159 -21.379 -20.909 1.00 0.00 C ATOM 896 C ARG A 57 80.207 -20.350 -19.785 1.00 0.00 C ATOM 897 O ARG A 57 79.254 -19.599 -19.581 1.00 0.00 O ATOM 898 CB ARG A 57 80.595 -20.729 -22.223 1.00 0.00 C ATOM 899 CG ARG A 57 82.055 -20.288 -22.119 1.00 0.00 C ATOM 900 CD ARG A 57 82.469 -19.596 -23.419 1.00 0.00 C ATOM 901 NE ARG A 57 82.359 -20.525 -24.538 1.00 0.00 N ATOM 902 CZ ARG A 57 82.356 -20.094 -25.795 1.00 0.00 C ATOM 903 NH1 ARG A 57 82.445 -18.817 -26.048 1.00 0.00 N ATOM 904 NH2 ARG A 57 82.262 -20.949 -26.777 1.00 0.00 N ATOM 0 H ARG A 57 78.179 -21.347 -21.608 1.00 0.00 H new ATOM 0 HA ARG A 57 80.839 -22.194 -20.662 1.00 0.00 H new ATOM 0 HB2 ARG A 57 80.475 -21.434 -23.046 1.00 0.00 H new ATOM 0 HB3 ARG A 57 79.960 -19.871 -22.444 1.00 0.00 H new ATOM 0 HG2 ARG A 57 82.182 -19.609 -21.276 1.00 0.00 H new ATOM 0 HG3 ARG A 57 82.695 -21.151 -21.933 1.00 0.00 H new ATOM 0 HD2 ARG A 57 81.836 -18.726 -23.595 1.00 0.00 H new ATOM 0 HD3 ARG A 57 83.494 -19.233 -23.337 1.00 0.00 H new ATOM 0 HE ARG A 57 82.283 -21.525 -24.352 1.00 0.00 H new ATOM 0 HH11 ARG A 57 82.517 -18.149 -25.281 1.00 0.00 H new ATOM 0 HH12 ARG A 57 82.443 -18.487 -27.013 1.00 0.00 H new ATOM 0 HH21 ARG A 57 82.191 -21.947 -26.579 1.00 0.00 H new ATOM 0 HH22 ARG A 57 82.260 -20.619 -27.742 1.00 0.00 H new ATOM 918 N GLN A 58 81.312 -20.331 -19.046 1.00 0.00 N ATOM 919 CA GLN A 58 81.447 -19.395 -17.934 1.00 0.00 C ATOM 920 C GLN A 58 82.881 -18.898 -17.784 1.00 0.00 C ATOM 921 O GLN A 58 83.825 -19.533 -18.255 1.00 0.00 O ATOM 922 CB GLN A 58 81.013 -20.082 -16.640 1.00 0.00 C ATOM 923 CG GLN A 58 82.013 -21.184 -16.275 1.00 0.00 C ATOM 924 CD GLN A 58 81.525 -21.946 -15.048 1.00 0.00 C ATOM 925 OE1 GLN A 58 80.404 -21.729 -14.587 1.00 0.00 O ATOM 926 NE2 GLN A 58 82.304 -22.832 -14.488 1.00 0.00 N ATOM 0 H GLN A 58 82.115 -20.942 -19.193 1.00 0.00 H new ATOM 0 HA GLN A 58 80.812 -18.533 -18.141 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.952 -19.352 -15.833 1.00 0.00 H new ATOM 0 HB3 GLN A 58 80.017 -20.508 -16.760 1.00 0.00 H new ATOM 0 HG2 GLN A 58 82.134 -21.869 -17.114 1.00 0.00 H new ATOM 0 HG3 GLN A 58 82.992 -20.747 -16.076 1.00 0.00 H new ATOM 0 HE21 GLN A 58 83.232 -23.010 -14.872 1.00 0.00 H new ATOM 0 HE22 GLN A 58 81.984 -23.346 -13.667 1.00 0.00 H new ATOM 935 N TYR A 59 83.035 -17.767 -17.096 1.00 0.00 N ATOM 936 CA TYR A 59 84.361 -17.205 -16.858 1.00 0.00 C ATOM 937 C TYR A 59 84.676 -17.259 -15.367 1.00 0.00 C ATOM 938 O TYR A 59 83.929 -16.728 -14.545 1.00 0.00 O ATOM 939 CB TYR A 59 84.422 -15.761 -17.355 1.00 0.00 C ATOM 940 CG TYR A 59 84.218 -15.735 -18.850 1.00 0.00 C ATOM 941 CD1 TYR A 59 82.922 -15.706 -19.378 1.00 0.00 C ATOM 942 CD2 TYR A 59 85.324 -15.744 -19.708 1.00 0.00 C ATOM 943 CE1 TYR A 59 82.732 -15.687 -20.765 1.00 0.00 C ATOM 944 CE2 TYR A 59 85.135 -15.725 -21.095 1.00 0.00 C ATOM 945 CZ TYR A 59 83.839 -15.696 -21.624 1.00 0.00 C ATOM 946 OH TYR A 59 83.653 -15.681 -22.992 1.00 0.00 O ATOM 0 H TYR A 59 82.266 -17.228 -16.698 1.00 0.00 H new ATOM 0 HA TYR A 59 85.100 -17.791 -17.405 1.00 0.00 H new ATOM 0 HB2 TYR A 59 83.656 -15.163 -16.862 1.00 0.00 H new ATOM 0 HB3 TYR A 59 85.385 -15.318 -17.101 1.00 0.00 H new ATOM 0 HD1 TYR A 59 82.069 -15.698 -18.716 1.00 0.00 H new ATOM 0 HD2 TYR A 59 86.324 -15.766 -19.300 1.00 0.00 H new ATOM 0 HE1 TYR A 59 81.732 -15.665 -21.173 1.00 0.00 H new ATOM 0 HE2 TYR A 59 85.989 -15.733 -21.757 1.00 0.00 H new ATOM 0 HH TYR A 59 84.289 -15.058 -23.402 1.00 0.00 H new ATOM 956 N ASP A 60 85.762 -17.941 -15.023 1.00 0.00 N ATOM 957 CA ASP A 60 86.149 -18.110 -13.626 1.00 0.00 C ATOM 958 C ASP A 60 86.851 -16.884 -13.040 1.00 0.00 C ATOM 959 O ASP A 60 87.016 -16.796 -11.823 1.00 0.00 O ATOM 960 CB ASP A 60 87.078 -19.317 -13.506 1.00 0.00 C ATOM 961 CG ASP A 60 86.314 -20.597 -13.829 1.00 0.00 C ATOM 962 OD1 ASP A 60 85.098 -20.535 -13.903 1.00 0.00 O ATOM 963 OD2 ASP A 60 86.957 -21.621 -13.997 1.00 0.00 O ATOM 0 H ASP A 60 86.391 -18.386 -15.692 1.00 0.00 H new ATOM 0 HA ASP A 60 85.230 -18.256 -13.058 1.00 0.00 H new ATOM 0 HB2 ASP A 60 87.922 -19.206 -14.187 1.00 0.00 H new ATOM 0 HB3 ASP A 60 87.487 -19.373 -12.497 1.00 0.00 H new ATOM 968 N GLN A 61 87.282 -15.949 -13.879 1.00 0.00 N ATOM 969 CA GLN A 61 87.975 -14.774 -13.363 1.00 0.00 C ATOM 970 C GLN A 61 87.764 -13.558 -14.258 1.00 0.00 C ATOM 971 O GLN A 61 88.690 -13.100 -14.928 1.00 0.00 O ATOM 972 CB GLN A 61 89.472 -15.073 -13.244 1.00 0.00 C ATOM 973 CG GLN A 61 90.168 -13.925 -12.510 1.00 0.00 C ATOM 974 CD GLN A 61 91.672 -14.175 -12.459 1.00 0.00 C ATOM 975 OE1 GLN A 61 92.349 -14.108 -13.484 1.00 0.00 O ATOM 976 NE2 GLN A 61 92.237 -14.464 -11.318 1.00 0.00 N ATOM 0 H GLN A 61 87.169 -15.978 -14.892 1.00 0.00 H new ATOM 0 HA GLN A 61 87.561 -14.543 -12.382 1.00 0.00 H new ATOM 0 HB2 GLN A 61 89.625 -16.008 -12.705 1.00 0.00 H new ATOM 0 HB3 GLN A 61 89.907 -15.201 -14.235 1.00 0.00 H new ATOM 0 HG2 GLN A 61 89.965 -12.982 -13.017 1.00 0.00 H new ATOM 0 HG3 GLN A 61 89.771 -13.835 -11.499 1.00 0.00 H new ATOM 0 HE21 GLN A 61 91.674 -14.519 -10.469 1.00 0.00 H new ATOM 0 HE22 GLN A 61 93.242 -14.635 -11.275 1.00 0.00 H new ATOM 985 N ILE A 62 86.543 -13.041 -14.264 1.00 0.00 N ATOM 986 CA ILE A 62 86.223 -11.875 -15.081 1.00 0.00 C ATOM 987 C ILE A 62 85.830 -10.697 -14.192 1.00 0.00 C ATOM 988 O ILE A 62 85.396 -10.885 -13.053 1.00 0.00 O ATOM 989 CB ILE A 62 85.072 -12.207 -16.034 1.00 0.00 C ATOM 990 CG1 ILE A 62 85.059 -11.224 -17.208 1.00 0.00 C ATOM 991 CG2 ILE A 62 83.746 -12.102 -15.283 1.00 0.00 C ATOM 992 CD1 ILE A 62 84.179 -11.787 -18.323 1.00 0.00 C ATOM 0 H ILE A 62 85.763 -13.406 -13.718 1.00 0.00 H new ATOM 0 HA ILE A 62 87.105 -11.602 -15.661 1.00 0.00 H new ATOM 0 HB ILE A 62 85.208 -13.220 -16.413 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.680 -10.255 -16.883 1.00 0.00 H new ATOM 0 HG13 ILE A 62 86.073 -11.063 -17.574 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.925 -12.338 -15.960 1.00 0.00 H new ATOM 0 HG22 ILE A 62 83.743 -12.805 -14.450 1.00 0.00 H new ATOM 0 HG23 ILE A 62 83.623 -11.088 -14.903 1.00 0.00 H new ATOM 0 HD11 ILE A 62 84.166 -11.091 -19.162 1.00 0.00 H new ATOM 0 HD12 ILE A 62 84.579 -12.746 -18.653 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.164 -11.926 -17.951 1.00 0.00 H new ATOM 1004 N ILE A 63 85.994 -9.485 -14.711 1.00 0.00 N ATOM 1005 CA ILE A 63 85.663 -8.287 -13.947 1.00 0.00 C ATOM 1006 C ILE A 63 84.405 -7.619 -14.493 1.00 0.00 C ATOM 1007 O ILE A 63 84.262 -7.433 -15.702 1.00 0.00 O ATOM 1008 CB ILE A 63 86.826 -7.297 -14.003 1.00 0.00 C ATOM 1009 CG1 ILE A 63 88.100 -7.974 -13.493 1.00 0.00 C ATOM 1010 CG2 ILE A 63 86.506 -6.086 -13.125 1.00 0.00 C ATOM 1011 CD1 ILE A 63 89.286 -7.026 -13.674 1.00 0.00 C ATOM 0 H ILE A 63 86.351 -9.306 -15.650 1.00 0.00 H new ATOM 0 HA ILE A 63 85.480 -8.584 -12.915 1.00 0.00 H new ATOM 0 HB ILE A 63 86.976 -6.971 -15.032 1.00 0.00 H new ATOM 0 HG12 ILE A 63 87.989 -8.238 -12.441 1.00 0.00 H new ATOM 0 HG13 ILE A 63 88.275 -8.902 -14.038 1.00 0.00 H new ATOM 0 HG21 ILE A 63 87.335 -5.379 -13.164 1.00 0.00 H new ATOM 0 HG22 ILE A 63 85.599 -5.603 -13.488 1.00 0.00 H new ATOM 0 HG23 ILE A 63 86.356 -6.412 -12.096 1.00 0.00 H new ATOM 0 HD11 ILE A 63 90.195 -7.507 -13.311 1.00 0.00 H new ATOM 0 HD12 ILE A 63 89.401 -6.784 -14.731 1.00 0.00 H new ATOM 0 HD13 ILE A 63 89.109 -6.111 -13.109 1.00 0.00 H new ATOM 1023 N ILE A 64 83.499 -7.259 -13.589 1.00 0.00 N ATOM 1024 CA ILE A 64 82.252 -6.607 -13.978 1.00 0.00 C ATOM 1025 C ILE A 64 82.147 -5.224 -13.340 1.00 0.00 C ATOM 1026 O ILE A 64 82.439 -5.055 -12.156 1.00 0.00 O ATOM 1027 CB ILE A 64 81.060 -7.455 -13.537 1.00 0.00 C ATOM 1028 CG1 ILE A 64 81.169 -8.855 -14.147 1.00 0.00 C ATOM 1029 CG2 ILE A 64 79.764 -6.795 -14.010 1.00 0.00 C ATOM 1030 CD1 ILE A 64 80.073 -9.750 -13.564 1.00 0.00 C ATOM 0 H ILE A 64 83.604 -7.407 -12.585 1.00 0.00 H new ATOM 0 HA ILE A 64 82.246 -6.500 -15.063 1.00 0.00 H new ATOM 0 HB ILE A 64 81.056 -7.534 -12.450 1.00 0.00 H new ATOM 0 HG12 ILE A 64 81.071 -8.800 -15.231 1.00 0.00 H new ATOM 0 HG13 ILE A 64 82.151 -9.280 -13.937 1.00 0.00 H new ATOM 0 HG21 ILE A 64 78.913 -7.399 -13.696 1.00 0.00 H new ATOM 0 HG22 ILE A 64 79.683 -5.799 -13.574 1.00 0.00 H new ATOM 0 HG23 ILE A 64 79.772 -6.716 -15.097 1.00 0.00 H new ATOM 0 HD11 ILE A 64 80.149 -10.747 -13.997 1.00 0.00 H new ATOM 0 HD12 ILE A 64 80.193 -9.814 -12.482 1.00 0.00 H new ATOM 0 HD13 ILE A 64 79.096 -9.327 -13.797 1.00 0.00 H new ATOM 1042 N GLU A 65 81.724 -4.238 -14.127 1.00 0.00 N ATOM 1043 CA GLU A 65 81.580 -2.879 -13.614 1.00 0.00 C ATOM 1044 C GLU A 65 80.107 -2.560 -13.370 1.00 0.00 C ATOM 1045 O GLU A 65 79.291 -2.612 -14.290 1.00 0.00 O ATOM 1046 CB GLU A 65 82.159 -1.880 -14.620 1.00 0.00 C ATOM 1047 CG GLU A 65 83.645 -2.175 -14.842 1.00 0.00 C ATOM 1048 CD GLU A 65 84.418 -1.992 -13.540 1.00 0.00 C ATOM 1049 OE1 GLU A 65 83.898 -1.340 -12.651 1.00 0.00 O ATOM 1050 OE2 GLU A 65 85.520 -2.510 -13.452 1.00 0.00 O ATOM 0 H GLU A 65 81.478 -4.352 -15.110 1.00 0.00 H new ATOM 0 HA GLU A 65 82.122 -2.802 -12.672 1.00 0.00 H new ATOM 0 HB2 GLU A 65 81.620 -1.947 -15.565 1.00 0.00 H new ATOM 0 HB3 GLU A 65 82.031 -0.862 -14.251 1.00 0.00 H new ATOM 0 HG2 GLU A 65 83.770 -3.194 -15.208 1.00 0.00 H new ATOM 0 HG3 GLU A 65 84.045 -1.510 -15.608 1.00 0.00 H new ATOM 1057 N ILE A 66 79.772 -2.230 -12.125 1.00 0.00 N ATOM 1058 CA ILE A 66 78.391 -1.905 -11.781 1.00 0.00 C ATOM 1059 C ILE A 66 78.302 -0.560 -11.064 1.00 0.00 C ATOM 1060 O ILE A 66 78.960 -0.347 -10.047 1.00 0.00 O ATOM 1061 CB ILE A 66 77.810 -2.996 -10.879 1.00 0.00 C ATOM 1062 CG1 ILE A 66 77.891 -4.346 -11.595 1.00 0.00 C ATOM 1063 CG2 ILE A 66 76.349 -2.672 -10.560 1.00 0.00 C ATOM 1064 CD1 ILE A 66 77.428 -5.456 -10.650 1.00 0.00 C ATOM 0 H ILE A 66 80.429 -2.181 -11.346 1.00 0.00 H new ATOM 0 HA ILE A 66 77.820 -1.844 -12.707 1.00 0.00 H new ATOM 0 HB ILE A 66 78.381 -3.042 -9.951 1.00 0.00 H new ATOM 0 HG12 ILE A 66 77.268 -4.333 -12.489 1.00 0.00 H new ATOM 0 HG13 ILE A 66 78.914 -4.535 -11.921 1.00 0.00 H new ATOM 0 HG21 ILE A 66 75.936 -3.450 -9.918 1.00 0.00 H new ATOM 0 HG22 ILE A 66 76.293 -1.711 -10.049 1.00 0.00 H new ATOM 0 HG23 ILE A 66 75.776 -2.624 -11.486 1.00 0.00 H new ATOM 0 HD11 ILE A 66 77.486 -6.417 -11.161 1.00 0.00 H new ATOM 0 HD12 ILE A 66 78.069 -5.474 -9.769 1.00 0.00 H new ATOM 0 HD13 ILE A 66 76.398 -5.269 -10.346 1.00 0.00 H new ATOM 1076 N ALA A 67 77.478 0.338 -11.594 1.00 0.00 N ATOM 1077 CA ALA A 67 77.305 1.654 -10.986 1.00 0.00 C ATOM 1078 C ALA A 67 78.652 2.307 -10.691 1.00 0.00 C ATOM 1079 O ALA A 67 78.862 2.850 -9.606 1.00 0.00 O ATOM 1080 CB ALA A 67 76.508 1.524 -9.688 1.00 0.00 C ATOM 0 H ALA A 67 76.924 0.182 -12.436 1.00 0.00 H new ATOM 0 HA ALA A 67 76.764 2.284 -11.692 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.382 2.509 -9.238 1.00 0.00 H new ATOM 0 HB2 ALA A 67 75.529 1.095 -9.903 1.00 0.00 H new ATOM 0 HB3 ALA A 67 77.044 0.875 -8.995 1.00 0.00 H new ATOM 1086 N GLY A 68 79.554 2.269 -11.665 1.00 0.00 N ATOM 1087 CA GLY A 68 80.869 2.880 -11.500 1.00 0.00 C ATOM 1088 C GLY A 68 81.693 2.166 -10.433 1.00 0.00 C ATOM 1089 O GLY A 68 82.658 2.726 -9.911 1.00 0.00 O ATOM 0 H GLY A 68 79.402 1.825 -12.571 1.00 0.00 H new ATOM 0 HA2 GLY A 68 81.404 2.855 -12.450 1.00 0.00 H new ATOM 0 HA3 GLY A 68 80.751 3.929 -11.228 1.00 0.00 H new ATOM 1093 N HIS A 69 81.316 0.933 -10.107 1.00 0.00 N ATOM 1094 CA HIS A 69 82.042 0.171 -9.095 1.00 0.00 C ATOM 1095 C HIS A 69 82.625 -1.101 -9.700 1.00 0.00 C ATOM 1096 O HIS A 69 81.977 -1.771 -10.506 1.00 0.00 O ATOM 1097 CB HIS A 69 81.106 -0.199 -7.942 1.00 0.00 C ATOM 1098 CG HIS A 69 81.894 -0.878 -6.857 1.00 0.00 C ATOM 1099 ND1 HIS A 69 82.712 -0.175 -5.987 1.00 0.00 N ATOM 1100 CD2 HIS A 69 82.004 -2.197 -6.493 1.00 0.00 C ATOM 1101 CE1 HIS A 69 83.275 -1.066 -5.150 1.00 0.00 C ATOM 1102 NE2 HIS A 69 82.876 -2.314 -5.415 1.00 0.00 N ATOM 0 H HIS A 69 80.523 0.445 -10.522 1.00 0.00 H new ATOM 0 HA HIS A 69 82.855 0.791 -8.718 1.00 0.00 H new ATOM 0 HB2 HIS A 69 80.623 0.696 -7.550 1.00 0.00 H new ATOM 0 HB3 HIS A 69 80.315 -0.858 -8.299 1.00 0.00 H new ATOM 0 HD2 HIS A 69 81.492 -3.019 -6.971 1.00 0.00 H new ATOM 0 HE1 HIS A 69 83.965 -0.805 -4.361 1.00 0.00 H new ATOM 0 HE2 HIS A 69 83.152 -3.168 -4.931 1.00 0.00 H new ATOM 1111 N LYS A 70 83.851 -1.426 -9.310 1.00 0.00 N ATOM 1112 CA LYS A 70 84.513 -2.618 -9.823 1.00 0.00 C ATOM 1113 C LYS A 70 84.062 -3.854 -9.053 1.00 0.00 C ATOM 1114 O LYS A 70 83.795 -3.787 -7.854 1.00 0.00 O ATOM 1115 CB LYS A 70 86.030 -2.464 -9.700 1.00 0.00 C ATOM 1116 CG LYS A 70 86.490 -1.264 -10.530 1.00 0.00 C ATOM 1117 CD LYS A 70 88.016 -1.171 -10.494 1.00 0.00 C ATOM 1118 CE LYS A 70 88.467 0.116 -11.189 1.00 0.00 C ATOM 1119 NZ LYS A 70 88.436 -0.078 -12.666 1.00 0.00 N ATOM 0 H LYS A 70 84.404 -0.885 -8.645 1.00 0.00 H new ATOM 0 HA LYS A 70 84.243 -2.739 -10.872 1.00 0.00 H new ATOM 0 HB2 LYS A 70 86.309 -2.325 -8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 70 86.527 -3.370 -10.045 1.00 0.00 H new ATOM 0 HG2 LYS A 70 86.146 -1.367 -11.559 1.00 0.00 H new ATOM 0 HG3 LYS A 70 86.050 -0.347 -10.137 1.00 0.00 H new ATOM 0 HD2 LYS A 70 88.367 -1.182 -9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 70 88.455 -2.037 -10.989 1.00 0.00 H new ATOM 0 HE2 LYS A 70 87.814 0.942 -10.907 1.00 0.00 H new ATOM 0 HE3 LYS A 70 89.474 0.381 -10.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 88.743 0.797 -13.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 89.076 -0.855 -12.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 87.468 -0.312 -12.965 1.00 0.00 H new ATOM 1133 N ALA A 71 83.987 -4.982 -9.751 1.00 0.00 N ATOM 1134 CA ALA A 71 83.573 -6.232 -9.126 1.00 0.00 C ATOM 1135 C ALA A 71 84.205 -7.418 -9.851 1.00 0.00 C ATOM 1136 O ALA A 71 84.283 -7.433 -11.079 1.00 0.00 O ATOM 1137 CB ALA A 71 82.049 -6.354 -9.171 1.00 0.00 C ATOM 0 H ALA A 71 84.206 -5.056 -10.744 1.00 0.00 H new ATOM 0 HA ALA A 71 83.905 -6.233 -8.088 1.00 0.00 H new ATOM 0 HB1 ALA A 71 81.745 -7.290 -8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 71 81.601 -5.518 -8.635 1.00 0.00 H new ATOM 0 HB3 ALA A 71 81.713 -6.341 -10.208 1.00 0.00 H new ATOM 1143 N ILE A 72 84.657 -8.409 -9.088 1.00 0.00 N ATOM 1144 CA ILE A 72 85.280 -9.585 -9.685 1.00 0.00 C ATOM 1145 C ILE A 72 84.649 -10.869 -9.152 1.00 0.00 C ATOM 1146 O ILE A 72 84.451 -11.022 -7.947 1.00 0.00 O ATOM 1147 CB ILE A 72 86.785 -9.580 -9.390 1.00 0.00 C ATOM 1148 CG1 ILE A 72 87.025 -9.838 -7.898 1.00 0.00 C ATOM 1149 CG2 ILE A 72 87.376 -8.220 -9.767 1.00 0.00 C ATOM 1150 CD1 ILE A 72 88.519 -9.727 -7.592 1.00 0.00 C ATOM 0 H ILE A 72 84.605 -8.422 -8.069 1.00 0.00 H new ATOM 0 HA ILE A 72 85.120 -9.549 -10.763 1.00 0.00 H new ATOM 0 HB ILE A 72 87.265 -10.365 -9.975 1.00 0.00 H new ATOM 0 HG12 ILE A 72 86.467 -9.118 -7.300 1.00 0.00 H new ATOM 0 HG13 ILE A 72 86.661 -10.829 -7.627 1.00 0.00 H new ATOM 0 HG21 ILE A 72 88.446 -8.217 -9.557 1.00 0.00 H new ATOM 0 HG22 ILE A 72 87.214 -8.035 -10.829 1.00 0.00 H new ATOM 0 HG23 ILE A 72 86.890 -7.438 -9.184 1.00 0.00 H new ATOM 0 HD11 ILE A 72 88.688 -9.911 -6.531 1.00 0.00 H new ATOM 0 HD12 ILE A 72 89.066 -10.464 -8.179 1.00 0.00 H new ATOM 0 HD13 ILE A 72 88.869 -8.727 -7.847 1.00 0.00 H new ATOM 1162 N GLY A 73 84.330 -11.789 -10.059 1.00 0.00 N ATOM 1163 CA GLY A 73 83.721 -13.054 -9.663 1.00 0.00 C ATOM 1164 C GLY A 73 83.384 -13.910 -10.880 1.00 0.00 C ATOM 1165 O GLY A 73 83.615 -13.507 -12.020 1.00 0.00 O ATOM 0 H GLY A 73 84.481 -11.684 -11.062 1.00 0.00 H new ATOM 0 HA2 GLY A 73 84.402 -13.599 -9.009 1.00 0.00 H new ATOM 0 HA3 GLY A 73 82.815 -12.860 -9.089 1.00 0.00 H new ATOM 1169 N THR A 74 82.837 -15.097 -10.627 1.00 0.00 N ATOM 1170 CA THR A 74 82.471 -16.006 -11.709 1.00 0.00 C ATOM 1171 C THR A 74 81.196 -15.526 -12.395 1.00 0.00 C ATOM 1172 O THR A 74 80.255 -15.087 -11.733 1.00 0.00 O ATOM 1173 CB THR A 74 82.258 -17.417 -11.156 1.00 0.00 C ATOM 1174 OG1 THR A 74 83.422 -17.827 -10.451 1.00 0.00 O ATOM 1175 CG2 THR A 74 81.992 -18.386 -12.310 1.00 0.00 C ATOM 0 H THR A 74 82.639 -15.449 -9.690 1.00 0.00 H new ATOM 0 HA THR A 74 83.281 -16.023 -12.439 1.00 0.00 H new ATOM 0 HB THR A 74 81.403 -17.417 -10.480 1.00 0.00 H new ATOM 0 HG1 THR A 74 83.287 -18.730 -10.094 1.00 0.00 H new ATOM 0 HG21 THR A 74 81.841 -19.390 -11.914 1.00 0.00 H new ATOM 0 HG22 THR A 74 81.100 -18.071 -12.851 1.00 0.00 H new ATOM 0 HG23 THR A 74 82.846 -18.388 -12.988 1.00 0.00 H new ATOM 1183 N VAL A 75 81.173 -15.603 -13.722 1.00 0.00 N ATOM 1184 CA VAL A 75 80.003 -15.159 -14.470 1.00 0.00 C ATOM 1185 C VAL A 75 79.519 -16.228 -15.448 1.00 0.00 C ATOM 1186 O VAL A 75 80.044 -16.353 -16.556 1.00 0.00 O ATOM 1187 CB VAL A 75 80.344 -13.888 -15.247 1.00 0.00 C ATOM 1188 CG1 VAL A 75 79.144 -13.470 -16.097 1.00 0.00 C ATOM 1189 CG2 VAL A 75 80.689 -12.767 -14.264 1.00 0.00 C ATOM 0 H VAL A 75 81.938 -15.962 -14.293 1.00 0.00 H new ATOM 0 HA VAL A 75 79.205 -14.965 -13.754 1.00 0.00 H new ATOM 0 HB VAL A 75 81.199 -14.078 -15.896 1.00 0.00 H new ATOM 0 HG11 VAL A 75 79.388 -12.563 -16.651 1.00 0.00 H new ATOM 0 HG12 VAL A 75 78.899 -14.268 -16.798 1.00 0.00 H new ATOM 0 HG13 VAL A 75 78.288 -13.280 -15.449 1.00 0.00 H new ATOM 0 HG21 VAL A 75 80.932 -11.860 -14.817 1.00 0.00 H new ATOM 0 HG22 VAL A 75 79.835 -12.577 -13.614 1.00 0.00 H new ATOM 0 HG23 VAL A 75 81.546 -13.064 -13.659 1.00 0.00 H new ATOM 1199 N LEU A 76 78.528 -17.010 -15.021 1.00 0.00 N ATOM 1200 CA LEU A 76 77.988 -18.075 -15.860 1.00 0.00 C ATOM 1201 C LEU A 76 77.336 -17.491 -17.111 1.00 0.00 C ATOM 1202 O LEU A 76 76.433 -16.663 -17.026 1.00 0.00 O ATOM 1203 CB LEU A 76 76.945 -18.869 -15.063 1.00 0.00 C ATOM 1204 CG LEU A 76 76.471 -20.083 -15.875 1.00 0.00 C ATOM 1205 CD1 LEU A 76 77.562 -21.158 -15.905 1.00 0.00 C ATOM 1206 CD2 LEU A 76 75.213 -20.668 -15.226 1.00 0.00 C ATOM 0 H LEU A 76 78.086 -16.926 -14.105 1.00 0.00 H new ATOM 0 HA LEU A 76 78.803 -18.732 -16.164 1.00 0.00 H new ATOM 0 HB2 LEU A 76 77.374 -19.200 -14.117 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.096 -18.229 -14.822 1.00 0.00 H new ATOM 0 HG LEU A 76 76.253 -19.763 -16.894 1.00 0.00 H new ATOM 0 HD11 LEU A 76 77.214 -22.014 -16.484 1.00 0.00 H new ATOM 0 HD12 LEU A 76 78.462 -20.750 -16.366 1.00 0.00 H new ATOM 0 HD13 LEU A 76 77.788 -21.476 -14.887 1.00 0.00 H new ATOM 0 HD21 LEU A 76 74.874 -21.530 -15.801 1.00 0.00 H new ATOM 0 HD22 LEU A 76 75.440 -20.978 -14.206 1.00 0.00 H new ATOM 0 HD23 LEU A 76 74.428 -19.912 -15.209 1.00 0.00 H new ATOM 1218 N VAL A 77 77.809 -17.925 -18.273 1.00 0.00 N ATOM 1219 CA VAL A 77 77.265 -17.430 -19.533 1.00 0.00 C ATOM 1220 C VAL A 77 76.549 -18.547 -20.288 1.00 0.00 C ATOM 1221 O VAL A 77 77.112 -19.618 -20.514 1.00 0.00 O ATOM 1222 CB VAL A 77 78.392 -16.854 -20.391 1.00 0.00 C ATOM 1223 CG1 VAL A 77 77.801 -16.155 -21.612 1.00 0.00 C ATOM 1224 CG2 VAL A 77 79.189 -15.845 -19.561 1.00 0.00 C ATOM 0 H VAL A 77 78.559 -18.610 -18.370 1.00 0.00 H new ATOM 0 HA VAL A 77 76.540 -16.645 -19.316 1.00 0.00 H new ATOM 0 HB VAL A 77 79.048 -17.659 -20.721 1.00 0.00 H new ATOM 0 HG11 VAL A 77 78.606 -15.745 -22.222 1.00 0.00 H new ATOM 0 HG12 VAL A 77 77.229 -16.872 -22.200 1.00 0.00 H new ATOM 0 HG13 VAL A 77 77.145 -15.347 -21.287 1.00 0.00 H new ATOM 0 HG21 VAL A 77 79.994 -15.431 -20.167 1.00 0.00 H new ATOM 0 HG22 VAL A 77 78.530 -15.041 -19.235 1.00 0.00 H new ATOM 0 HG23 VAL A 77 79.611 -16.344 -18.689 1.00 0.00 H new ATOM 1234 N GLY A 78 75.302 -18.282 -20.674 1.00 0.00 N ATOM 1235 CA GLY A 78 74.507 -19.271 -21.397 1.00 0.00 C ATOM 1236 C GLY A 78 73.727 -18.632 -22.544 1.00 0.00 C ATOM 1237 O GLY A 78 73.683 -17.410 -22.682 1.00 0.00 O ATOM 0 H GLY A 78 74.824 -17.398 -20.500 1.00 0.00 H new ATOM 0 HA2 GLY A 78 75.162 -20.049 -21.790 1.00 0.00 H new ATOM 0 HA3 GLY A 78 73.814 -19.755 -20.709 1.00 0.00 H new ATOM 1241 N PRO A 79 73.124 -19.449 -23.366 1.00 0.00 N ATOM 1242 CA PRO A 79 72.327 -18.991 -24.548 1.00 0.00 C ATOM 1243 C PRO A 79 71.118 -18.134 -24.169 1.00 0.00 C ATOM 1244 O PRO A 79 70.590 -17.399 -25.003 1.00 0.00 O ATOM 1245 CB PRO A 79 71.879 -20.293 -25.222 1.00 0.00 C ATOM 1246 CG PRO A 79 72.008 -21.354 -24.180 1.00 0.00 C ATOM 1247 CD PRO A 79 73.138 -20.913 -23.255 1.00 0.00 C ATOM 0 HA PRO A 79 72.923 -18.347 -25.195 1.00 0.00 H new ATOM 0 HB2 PRO A 79 70.851 -20.216 -25.577 1.00 0.00 H new ATOM 0 HB3 PRO A 79 72.500 -20.519 -26.089 1.00 0.00 H new ATOM 0 HG2 PRO A 79 71.076 -21.470 -23.627 1.00 0.00 H new ATOM 0 HG3 PRO A 79 72.232 -22.319 -24.634 1.00 0.00 H new ATOM 0 HD2 PRO A 79 72.967 -21.239 -22.229 1.00 0.00 H new ATOM 0 HD3 PRO A 79 74.096 -21.329 -23.566 1.00 0.00 H new ATOM 1255 N THR A 80 70.676 -18.232 -22.917 1.00 0.00 N ATOM 1256 CA THR A 80 69.522 -17.454 -22.471 1.00 0.00 C ATOM 1257 C THR A 80 69.585 -16.043 -23.068 1.00 0.00 C ATOM 1258 O THR A 80 70.579 -15.346 -22.885 1.00 0.00 O ATOM 1259 CB THR A 80 69.518 -17.360 -20.943 1.00 0.00 C ATOM 1260 OG1 THR A 80 68.365 -16.646 -20.518 1.00 0.00 O ATOM 1261 CG2 THR A 80 70.777 -16.630 -20.473 1.00 0.00 C ATOM 0 H THR A 80 71.091 -18.832 -22.204 1.00 0.00 H new ATOM 0 HA THR A 80 68.610 -17.949 -22.805 1.00 0.00 H new ATOM 0 HB THR A 80 69.502 -18.362 -20.515 1.00 0.00 H new ATOM 0 HG1 THR A 80 68.359 -16.586 -19.540 1.00 0.00 H new ATOM 0 HG21 THR A 80 70.774 -16.563 -19.385 1.00 0.00 H new ATOM 0 HG22 THR A 80 71.660 -17.179 -20.800 1.00 0.00 H new ATOM 0 HG23 THR A 80 70.796 -15.627 -20.898 1.00 0.00 H new ATOM 1269 N PRO A 81 68.572 -15.605 -23.782 1.00 0.00 N ATOM 1270 CA PRO A 81 68.570 -14.251 -24.416 1.00 0.00 C ATOM 1271 C PRO A 81 68.387 -13.112 -23.414 1.00 0.00 C ATOM 1272 O PRO A 81 68.197 -11.961 -23.809 1.00 0.00 O ATOM 1273 CB PRO A 81 67.399 -14.308 -25.396 1.00 0.00 C ATOM 1274 CG PRO A 81 66.468 -15.338 -24.850 1.00 0.00 C ATOM 1275 CD PRO A 81 67.321 -16.336 -24.065 1.00 0.00 C ATOM 0 HA PRO A 81 69.528 -14.037 -24.891 1.00 0.00 H new ATOM 0 HB2 PRO A 81 66.907 -13.338 -25.476 1.00 0.00 H new ATOM 0 HB3 PRO A 81 67.738 -14.577 -26.396 1.00 0.00 H new ATOM 0 HG2 PRO A 81 65.719 -14.879 -24.205 1.00 0.00 H new ATOM 0 HG3 PRO A 81 65.931 -15.839 -25.655 1.00 0.00 H new ATOM 0 HD2 PRO A 81 66.825 -16.646 -23.145 1.00 0.00 H new ATOM 0 HD3 PRO A 81 67.511 -17.239 -24.645 1.00 0.00 H new ATOM 1283 N VAL A 82 68.434 -13.429 -22.123 1.00 0.00 N ATOM 1284 CA VAL A 82 68.257 -12.402 -21.099 1.00 0.00 C ATOM 1285 C VAL A 82 69.400 -12.424 -20.084 1.00 0.00 C ATOM 1286 O VAL A 82 70.368 -13.176 -20.230 1.00 0.00 O ATOM 1287 CB VAL A 82 66.924 -12.612 -20.380 1.00 0.00 C ATOM 1288 CG1 VAL A 82 66.258 -11.257 -20.127 1.00 0.00 C ATOM 1289 CG2 VAL A 82 66.006 -13.470 -21.252 1.00 0.00 C ATOM 0 H VAL A 82 68.590 -14.371 -21.765 1.00 0.00 H new ATOM 0 HA VAL A 82 68.260 -11.430 -21.592 1.00 0.00 H new ATOM 0 HB VAL A 82 67.102 -13.114 -19.429 1.00 0.00 H new ATOM 0 HG11 VAL A 82 65.308 -11.409 -19.614 1.00 0.00 H new ATOM 0 HG12 VAL A 82 66.910 -10.641 -19.508 1.00 0.00 H new ATOM 0 HG13 VAL A 82 66.081 -10.755 -21.078 1.00 0.00 H new ATOM 0 HG21 VAL A 82 65.055 -13.621 -20.741 1.00 0.00 H new ATOM 0 HG22 VAL A 82 65.831 -12.966 -22.202 1.00 0.00 H new ATOM 0 HG23 VAL A 82 66.477 -14.436 -21.435 1.00 0.00 H new ATOM 1299 N ASN A 83 69.281 -11.584 -19.059 1.00 0.00 N ATOM 1300 CA ASN A 83 70.305 -11.509 -18.024 1.00 0.00 C ATOM 1301 C ASN A 83 69.673 -11.381 -16.639 1.00 0.00 C ATOM 1302 O ASN A 83 68.839 -10.508 -16.404 1.00 0.00 O ATOM 1303 CB ASN A 83 71.234 -10.318 -18.282 1.00 0.00 C ATOM 1304 CG ASN A 83 71.964 -10.507 -19.608 1.00 0.00 C ATOM 1305 OD1 ASN A 83 72.091 -11.631 -20.093 1.00 0.00 O ATOM 1306 ND2 ASN A 83 72.448 -9.466 -20.229 1.00 0.00 N ATOM 0 H ASN A 83 68.492 -10.951 -18.924 1.00 0.00 H new ATOM 0 HA ASN A 83 70.886 -12.431 -18.056 1.00 0.00 H new ATOM 0 HB2 ASN A 83 70.657 -9.393 -18.303 1.00 0.00 H new ATOM 0 HB3 ASN A 83 71.955 -10.225 -17.470 1.00 0.00 H new ATOM 0 HD21 ASN A 83 72.933 -9.583 -21.119 1.00 0.00 H new ATOM 0 HD22 ASN A 83 72.341 -8.536 -19.825 1.00 0.00 H new ATOM 1313 N ILE A 84 70.088 -12.253 -15.726 1.00 0.00 N ATOM 1314 CA ILE A 84 69.572 -12.228 -14.361 1.00 0.00 C ATOM 1315 C ILE A 84 70.728 -12.210 -13.365 1.00 0.00 C ATOM 1316 O ILE A 84 71.707 -12.941 -13.529 1.00 0.00 O ATOM 1317 CB ILE A 84 68.681 -13.446 -14.106 1.00 0.00 C ATOM 1318 CG1 ILE A 84 68.165 -13.403 -12.666 1.00 0.00 C ATOM 1319 CG2 ILE A 84 69.487 -14.728 -14.314 1.00 0.00 C ATOM 1320 CD1 ILE A 84 67.063 -14.449 -12.486 1.00 0.00 C ATOM 0 H ILE A 84 70.777 -12.983 -15.905 1.00 0.00 H new ATOM 0 HA ILE A 84 68.976 -11.325 -14.230 1.00 0.00 H new ATOM 0 HB ILE A 84 67.841 -13.430 -14.800 1.00 0.00 H new ATOM 0 HG12 ILE A 84 68.981 -13.596 -11.970 1.00 0.00 H new ATOM 0 HG13 ILE A 84 67.779 -12.410 -12.436 1.00 0.00 H new ATOM 0 HG21 ILE A 84 68.849 -15.593 -14.131 1.00 0.00 H new ATOM 0 HG22 ILE A 84 69.859 -14.762 -15.338 1.00 0.00 H new ATOM 0 HG23 ILE A 84 70.328 -14.745 -13.621 1.00 0.00 H new ATOM 0 HD11 ILE A 84 66.696 -14.418 -11.460 1.00 0.00 H new ATOM 0 HD12 ILE A 84 66.243 -14.235 -13.172 1.00 0.00 H new ATOM 0 HD13 ILE A 84 67.464 -15.440 -12.698 1.00 0.00 H new ATOM 1332 N ILE A 85 70.615 -11.367 -12.341 1.00 0.00 N ATOM 1333 CA ILE A 85 71.670 -11.257 -11.336 1.00 0.00 C ATOM 1334 C ILE A 85 71.234 -11.874 -10.009 1.00 0.00 C ATOM 1335 O ILE A 85 70.113 -11.657 -9.546 1.00 0.00 O ATOM 1336 CB ILE A 85 72.030 -9.786 -11.123 1.00 0.00 C ATOM 1337 CG1 ILE A 85 72.434 -9.163 -12.460 1.00 0.00 C ATOM 1338 CG2 ILE A 85 73.202 -9.687 -10.147 1.00 0.00 C ATOM 1339 CD1 ILE A 85 72.674 -7.665 -12.273 1.00 0.00 C ATOM 0 H ILE A 85 69.813 -10.756 -12.186 1.00 0.00 H new ATOM 0 HA ILE A 85 72.542 -11.802 -11.698 1.00 0.00 H new ATOM 0 HB ILE A 85 71.169 -9.256 -10.717 1.00 0.00 H new ATOM 0 HG12 ILE A 85 73.337 -9.642 -12.839 1.00 0.00 H new ATOM 0 HG13 ILE A 85 71.652 -9.327 -13.201 1.00 0.00 H new ATOM 0 HG21 ILE A 85 73.460 -8.639 -9.994 1.00 0.00 H new ATOM 0 HG22 ILE A 85 72.921 -10.135 -9.194 1.00 0.00 H new ATOM 0 HG23 ILE A 85 74.062 -10.217 -10.556 1.00 0.00 H new ATOM 0 HD11 ILE A 85 72.962 -7.221 -13.226 1.00 0.00 H new ATOM 0 HD12 ILE A 85 71.760 -7.192 -11.914 1.00 0.00 H new ATOM 0 HD13 ILE A 85 73.471 -7.512 -11.546 1.00 0.00 H new ATOM 1351 N GLY A 86 72.134 -12.653 -9.409 1.00 0.00 N ATOM 1352 CA GLY A 86 71.845 -13.312 -8.140 1.00 0.00 C ATOM 1353 C GLY A 86 72.534 -12.613 -6.966 1.00 0.00 C ATOM 1354 O GLY A 86 73.103 -11.527 -7.111 1.00 0.00 O ATOM 0 H GLY A 86 73.065 -12.841 -9.781 1.00 0.00 H new ATOM 0 HA2 GLY A 86 70.768 -13.324 -7.974 1.00 0.00 H new ATOM 0 HA3 GLY A 86 72.172 -14.351 -8.187 1.00 0.00 H new ATOM 1358 N ARG A 87 72.465 -13.250 -5.800 1.00 0.00 N ATOM 1359 CA ARG A 87 73.066 -12.708 -4.586 1.00 0.00 C ATOM 1360 C ARG A 87 74.576 -12.536 -4.725 1.00 0.00 C ATOM 1361 O ARG A 87 75.190 -11.793 -3.959 1.00 0.00 O ATOM 1362 CB ARG A 87 72.782 -13.636 -3.400 1.00 0.00 C ATOM 1363 CG ARG A 87 71.282 -13.644 -3.088 1.00 0.00 C ATOM 1364 CD ARG A 87 70.857 -12.274 -2.547 1.00 0.00 C ATOM 1365 NE ARG A 87 70.032 -12.414 -1.344 1.00 0.00 N ATOM 1366 CZ ARG A 87 69.065 -13.326 -1.245 1.00 0.00 C ATOM 1367 NH1 ARG A 87 68.781 -14.101 -2.254 1.00 0.00 N ATOM 1368 NH2 ARG A 87 68.384 -13.433 -0.137 1.00 0.00 N ATOM 0 H ARG A 87 71.996 -14.147 -5.671 1.00 0.00 H new ATOM 0 HA ARG A 87 72.621 -11.727 -4.417 1.00 0.00 H new ATOM 0 HB2 ARG A 87 73.119 -14.647 -3.630 1.00 0.00 H new ATOM 0 HB3 ARG A 87 73.342 -13.304 -2.526 1.00 0.00 H new ATOM 0 HG2 ARG A 87 70.715 -13.882 -3.988 1.00 0.00 H new ATOM 0 HG3 ARG A 87 71.058 -14.420 -2.356 1.00 0.00 H new ATOM 0 HD2 ARG A 87 71.742 -11.680 -2.318 1.00 0.00 H new ATOM 0 HD3 ARG A 87 70.300 -11.734 -3.313 1.00 0.00 H new ATOM 0 HE ARG A 87 70.204 -11.792 -0.554 1.00 0.00 H new ATOM 0 HH11 ARG A 87 69.300 -14.012 -3.127 1.00 0.00 H new ATOM 0 HH12 ARG A 87 68.040 -14.796 -2.170 1.00 0.00 H new ATOM 0 HH21 ARG A 87 68.592 -12.819 0.651 1.00 0.00 H new ATOM 0 HH22 ARG A 87 67.644 -14.130 -0.059 1.00 0.00 H new ATOM 1382 N ASN A 88 75.182 -13.228 -5.684 1.00 0.00 N ATOM 1383 CA ASN A 88 76.626 -13.128 -5.863 1.00 0.00 C ATOM 1384 C ASN A 88 77.059 -11.674 -6.032 1.00 0.00 C ATOM 1385 O ASN A 88 77.999 -11.221 -5.380 1.00 0.00 O ATOM 1386 CB ASN A 88 77.066 -13.928 -7.092 1.00 0.00 C ATOM 1387 CG ASN A 88 76.843 -15.417 -6.861 1.00 0.00 C ATOM 1388 OD1 ASN A 88 76.402 -15.822 -5.786 1.00 0.00 O ATOM 1389 ND2 ASN A 88 77.141 -16.264 -7.810 1.00 0.00 N ATOM 0 H ASN A 88 74.708 -13.852 -6.337 1.00 0.00 H new ATOM 0 HA ASN A 88 77.099 -13.536 -4.970 1.00 0.00 H new ATOM 0 HB2 ASN A 88 76.505 -13.601 -7.967 1.00 0.00 H new ATOM 0 HB3 ASN A 88 78.119 -13.739 -7.300 1.00 0.00 H new ATOM 0 HD21 ASN A 88 77.008 -17.264 -7.661 1.00 0.00 H new ATOM 0 HD22 ASN A 88 77.506 -15.925 -8.700 1.00 0.00 H new ATOM 1396 N LEU A 89 76.376 -10.948 -6.910 1.00 0.00 N ATOM 1397 CA LEU A 89 76.715 -9.550 -7.152 1.00 0.00 C ATOM 1398 C LEU A 89 76.023 -8.621 -6.159 1.00 0.00 C ATOM 1399 O LEU A 89 76.635 -7.684 -5.650 1.00 0.00 O ATOM 1400 CB LEU A 89 76.321 -9.158 -8.576 1.00 0.00 C ATOM 1401 CG LEU A 89 77.366 -9.688 -9.560 1.00 0.00 C ATOM 1402 CD1 LEU A 89 77.371 -11.216 -9.531 1.00 0.00 C ATOM 1403 CD2 LEU A 89 77.024 -9.207 -10.973 1.00 0.00 C ATOM 0 H LEU A 89 75.593 -11.299 -7.461 1.00 0.00 H new ATOM 0 HA LEU A 89 77.792 -9.444 -7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 89 75.339 -9.565 -8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 89 76.246 -8.074 -8.658 1.00 0.00 H new ATOM 0 HG LEU A 89 78.351 -9.318 -9.276 1.00 0.00 H new ATOM 0 HD11 LEU A 89 78.116 -11.591 -10.233 1.00 0.00 H new ATOM 0 HD12 LEU A 89 77.614 -11.560 -8.526 1.00 0.00 H new ATOM 0 HD13 LEU A 89 76.386 -11.589 -9.814 1.00 0.00 H new ATOM 0 HD21 LEU A 89 77.767 -9.584 -11.675 1.00 0.00 H new ATOM 0 HD22 LEU A 89 76.038 -9.577 -11.255 1.00 0.00 H new ATOM 0 HD23 LEU A 89 77.022 -8.117 -10.996 1.00 0.00 H new ATOM 1415 N LEU A 90 74.741 -8.870 -5.899 1.00 0.00 N ATOM 1416 CA LEU A 90 73.995 -8.018 -4.976 1.00 0.00 C ATOM 1417 C LEU A 90 74.646 -8.006 -3.596 1.00 0.00 C ATOM 1418 O LEU A 90 74.760 -6.954 -2.966 1.00 0.00 O ATOM 1419 CB LEU A 90 72.549 -8.502 -4.854 1.00 0.00 C ATOM 1420 CG LEU A 90 71.894 -8.532 -6.237 1.00 0.00 C ATOM 1421 CD1 LEU A 90 70.433 -8.967 -6.101 1.00 0.00 C ATOM 1422 CD2 LEU A 90 71.949 -7.135 -6.860 1.00 0.00 C ATOM 0 H LEU A 90 74.206 -9.638 -6.305 1.00 0.00 H new ATOM 0 HA LEU A 90 74.004 -7.004 -5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 90 72.525 -9.497 -4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 90 71.990 -7.842 -4.191 1.00 0.00 H new ATOM 0 HG LEU A 90 72.428 -9.237 -6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 90 69.967 -8.988 -7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 90 70.389 -9.962 -5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 90 69.901 -8.261 -5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 90 71.482 -7.157 -7.845 1.00 0.00 H new ATOM 0 HD22 LEU A 90 71.416 -6.431 -6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 90 72.988 -6.821 -6.958 1.00 0.00 H new ATOM 1434 N THR A 91 75.065 -9.177 -3.124 1.00 0.00 N ATOM 1435 CA THR A 91 75.693 -9.275 -1.811 1.00 0.00 C ATOM 1436 C THR A 91 77.022 -8.527 -1.784 1.00 0.00 C ATOM 1437 O THR A 91 77.378 -7.911 -0.778 1.00 0.00 O ATOM 1438 CB THR A 91 75.923 -10.743 -1.447 1.00 0.00 C ATOM 1439 OG1 THR A 91 76.145 -10.852 -0.047 1.00 0.00 O ATOM 1440 CG2 THR A 91 77.143 -11.277 -2.200 1.00 0.00 C ATOM 0 H THR A 91 74.982 -10.062 -3.625 1.00 0.00 H new ATOM 0 HA THR A 91 75.024 -8.820 -1.081 1.00 0.00 H new ATOM 0 HB THR A 91 75.045 -11.326 -1.725 1.00 0.00 H new ATOM 0 HG1 THR A 91 76.291 -11.792 0.189 1.00 0.00 H new ATOM 0 HG21 THR A 91 77.303 -12.323 -1.938 1.00 0.00 H new ATOM 0 HG22 THR A 91 76.973 -11.194 -3.273 1.00 0.00 H new ATOM 0 HG23 THR A 91 78.023 -10.695 -1.926 1.00 0.00 H new ATOM 1448 N GLN A 92 77.755 -8.585 -2.890 1.00 0.00 N ATOM 1449 CA GLN A 92 79.044 -7.909 -2.972 1.00 0.00 C ATOM 1450 C GLN A 92 78.896 -6.435 -2.607 1.00 0.00 C ATOM 1451 O GLN A 92 79.744 -5.867 -1.918 1.00 0.00 O ATOM 1452 CB GLN A 92 79.609 -8.033 -4.388 1.00 0.00 C ATOM 1453 CG GLN A 92 81.046 -7.509 -4.414 1.00 0.00 C ATOM 1454 CD GLN A 92 81.561 -7.483 -5.847 1.00 0.00 C ATOM 1455 OE1 GLN A 92 81.106 -6.676 -6.655 1.00 0.00 O ATOM 1456 NE2 GLN A 92 82.490 -8.325 -6.214 1.00 0.00 N ATOM 0 H GLN A 92 77.482 -9.088 -3.734 1.00 0.00 H new ATOM 0 HA GLN A 92 79.729 -8.380 -2.267 1.00 0.00 H new ATOM 0 HB2 GLN A 92 79.585 -9.074 -4.710 1.00 0.00 H new ATOM 0 HB3 GLN A 92 78.992 -7.468 -5.087 1.00 0.00 H new ATOM 0 HG2 GLN A 92 81.085 -6.507 -3.986 1.00 0.00 H new ATOM 0 HG3 GLN A 92 81.685 -8.143 -3.800 1.00 0.00 H new ATOM 0 HE21 GLN A 92 82.866 -8.994 -5.542 1.00 0.00 H new ATOM 0 HE22 GLN A 92 82.839 -8.313 -7.172 1.00 0.00 H new ATOM 1465 N ILE A 93 77.804 -5.827 -3.057 1.00 0.00 N ATOM 1466 CA ILE A 93 77.547 -4.421 -2.751 1.00 0.00 C ATOM 1467 C ILE A 93 76.857 -4.299 -1.395 1.00 0.00 C ATOM 1468 O ILE A 93 77.042 -3.315 -0.680 1.00 0.00 O ATOM 1469 CB ILE A 93 76.671 -3.763 -3.833 1.00 0.00 C ATOM 1470 CG1 ILE A 93 77.353 -3.796 -5.219 1.00 0.00 C ATOM 1471 CG2 ILE A 93 76.410 -2.306 -3.448 1.00 0.00 C ATOM 1472 CD1 ILE A 93 78.809 -3.334 -5.115 1.00 0.00 C ATOM 0 H ILE A 93 77.089 -6.277 -3.628 1.00 0.00 H new ATOM 0 HA ILE A 93 78.507 -3.905 -2.724 1.00 0.00 H new ATOM 0 HB ILE A 93 75.738 -4.323 -3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 93 77.315 -4.807 -5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 93 76.811 -3.153 -5.912 1.00 0.00 H new ATOM 0 HG21 ILE A 93 75.790 -1.834 -4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 93 75.895 -2.270 -2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 93 77.358 -1.774 -3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 93 79.272 -3.364 -6.101 1.00 0.00 H new ATOM 0 HD12 ILE A 93 78.841 -2.315 -4.731 1.00 0.00 H new ATOM 0 HD13 ILE A 93 79.353 -3.994 -4.439 1.00 0.00 H new ATOM 1484 N GLY A 94 76.059 -5.306 -1.050 1.00 0.00 N ATOM 1485 CA GLY A 94 75.343 -5.301 0.220 1.00 0.00 C ATOM 1486 C GLY A 94 74.012 -4.571 0.087 1.00 0.00 C ATOM 1487 O GLY A 94 73.557 -4.287 -1.021 1.00 0.00 O ATOM 0 H GLY A 94 75.893 -6.130 -1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 94 75.170 -6.326 0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 94 75.953 -4.819 0.985 1.00 0.00 H new ATOM 1491 N ALA A 95 73.392 -4.270 1.223 1.00 0.00 N ATOM 1492 CA ALA A 95 72.111 -3.573 1.220 1.00 0.00 C ATOM 1493 C ALA A 95 72.107 -2.455 2.257 1.00 0.00 C ATOM 1494 O ALA A 95 71.996 -2.764 3.431 1.00 0.00 O ATOM 1495 CB ALA A 95 70.980 -4.559 1.519 1.00 0.00 C ATOM 1496 OXT ALA A 95 72.215 -1.306 1.860 1.00 0.00 O ATOM 0 H ALA A 95 73.752 -4.495 2.150 1.00 0.00 H new ATOM 0 HA ALA A 95 71.958 -3.135 0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 95 70.026 -4.031 1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 95 70.966 -5.339 0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 95 71.140 -5.011 2.498 1.00 0.00 H new TER 1502 ALA A 95