USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1001 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 50 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 128 ASN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Set 2.1: A 64 TYR OH : rot -167:sc= 0.791 USER MOD Set 2.2: A 81 ASN : amide:sc= 0.709 K(o=0.76,f=0.028) USER MOD Set 2.3: A 84 HIS : no HE2:sc= -0.735 K(o=0.76,f=-2.3) USER MOD Set 3.1: A 30 TYR OH : rot 30:sc= -0.0214 USER MOD Set 3.2: A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot -151:sc= -0.988 USER MOD Single : A 24 GLN : amide:sc= -0.694 K(o=-0.69,f=-2.9) USER MOD Single : A 28 ASN : amide:sc= -0.0773 K(o=-0.077,f=-2.1!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 87:sc= 0.984 USER MOD Single : A 61 SER OG : rot -90:sc= 1.14 USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0149) USER MOD Single : A 70 HIS : no HD1:sc= -0.343 K(o=-0.34,f=-1.5) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.0662 K(o=-0.066,f=-3.4) USER MOD Single : A 74 HIS : no HD1:sc= -0.0847 X(o=-0.085,f=-0.01) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HE2:sc= 0.107 K(o=0.11,f=-0.78) USER MOD Single : A 102 THR OG1 : rot 74:sc= 0.79 USER MOD Single : A 103 TYR OH : rot 99:sc= 1.65 USER MOD Single : A 104 HIS : no HD1:sc= -0.126 X(o=-0.13,f=0.0017) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.0488 X(o=-0.049,f=-0.0021) USER MOD Single : A 108 TYR OH : rot -151:sc= 0.498 USER MOD Single : A 113 ASN : amide:sc= -0.275 K(o=-0.28,f=-4.2!) USER MOD Single : A 114 SER OG : rot -72:sc= 0.449 USER MOD Single : A 115 TYR OH : rot -78:sc= 1.53 USER MOD Single : A 118 SER OG : rot 49:sc= 0.78 USER MOD Single : A 121 TYR OH : rot -60:sc= -1.52! USER MOD Single : A 122 THR OG1 : rot 74:sc= 0.0714 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 10.800 -9.139 -9.567 1.00 23.31 N ATOM 21 CA PRO A 2 9.515 -8.748 -8.929 1.00 43.24 C ATOM 22 C PRO A 2 8.668 -10.014 -8.578 1.00 61.02 C ATOM 23 O PRO A 2 8.474 -10.893 -9.427 1.00 65.53 O ATOM 24 CB PRO A 2 8.852 -7.863 -10.013 1.00 25.21 C ATOM 25 CG PRO A 2 9.360 -8.407 -11.323 1.00 13.10 C ATOM 26 CD PRO A 2 10.760 -8.946 -11.051 1.00 32.50 C ATOM 0 HA PRO A 2 9.626 -8.222 -7.981 1.00 43.24 H new ATOM 0 HB2 PRO A 2 7.765 -7.918 -9.957 1.00 25.21 H new ATOM 0 HB3 PRO A 2 9.125 -6.815 -9.888 1.00 25.21 H new ATOM 0 HG2 PRO A 2 8.706 -9.195 -11.696 1.00 13.10 H new ATOM 0 HG3 PRO A 2 9.385 -7.627 -12.084 1.00 13.10 H new ATOM 0 HD2 PRO A 2 10.935 -9.883 -11.579 1.00 32.50 H new ATOM 0 HD3 PRO A 2 11.527 -8.246 -11.382 1.00 32.50 H new ATOM 34 N LEU A 3 8.169 -10.107 -7.329 1.00 42.21 N ATOM 35 CA LEU A 3 7.532 -11.350 -6.814 1.00 51.15 C ATOM 36 C LEU A 3 6.034 -11.373 -7.209 1.00 50.01 C ATOM 37 O LEU A 3 5.285 -10.479 -6.842 1.00 31.14 O ATOM 38 CB LEU A 3 7.706 -11.439 -5.256 1.00 34.30 C ATOM 39 CG LEU A 3 7.905 -12.874 -4.633 1.00 65.31 C ATOM 40 CD1 LEU A 3 7.926 -12.811 -3.091 1.00 43.25 C ATOM 41 CD2 LEU A 3 6.858 -13.900 -5.134 1.00 41.53 C ATOM 0 H LEU A 3 8.192 -9.342 -6.655 1.00 42.21 H new ATOM 0 HA LEU A 3 8.019 -12.218 -7.259 1.00 51.15 H new ATOM 0 HB2 LEU A 3 8.564 -10.828 -4.977 1.00 34.30 H new ATOM 0 HB3 LEU A 3 6.829 -10.988 -4.792 1.00 34.30 H new ATOM 0 HG LEU A 3 8.876 -13.229 -4.979 1.00 65.31 H new ATOM 0 HD11 LEU A 3 8.064 -13.814 -2.688 1.00 43.25 H new ATOM 0 HD12 LEU A 3 8.746 -12.172 -2.764 1.00 43.25 H new ATOM 0 HD13 LEU A 3 6.982 -12.402 -2.731 1.00 43.25 H new ATOM 0 HD21 LEU A 3 7.047 -14.868 -4.670 1.00 41.53 H new ATOM 0 HD22 LEU A 3 5.858 -13.559 -4.867 1.00 41.53 H new ATOM 0 HD23 LEU A 3 6.932 -13.996 -6.217 1.00 41.53 H new ATOM 53 N GLU A 4 5.606 -12.415 -7.942 1.00 22.41 N ATOM 54 CA GLU A 4 4.224 -12.518 -8.470 1.00 63.20 C ATOM 55 C GLU A 4 3.451 -13.706 -7.836 1.00 3.43 C ATOM 56 O GLU A 4 3.969 -14.826 -7.735 1.00 24.51 O ATOM 57 CB GLU A 4 4.298 -12.632 -10.024 1.00 51.43 C ATOM 58 CG GLU A 4 2.966 -12.969 -10.768 1.00 41.34 C ATOM 59 CD GLU A 4 2.876 -14.438 -11.229 1.00 54.42 C ATOM 60 OE1 GLU A 4 3.544 -14.796 -12.224 1.00 52.00 O ATOM 61 OE2 GLU A 4 2.167 -15.244 -10.599 1.00 64.23 O ATOM 0 H GLU A 4 6.200 -13.208 -8.187 1.00 22.41 H new ATOM 0 HA GLU A 4 3.663 -11.623 -8.200 1.00 63.20 H new ATOM 0 HB2 GLU A 4 4.677 -11.689 -10.417 1.00 51.43 H new ATOM 0 HB3 GLU A 4 5.031 -13.399 -10.274 1.00 51.43 H new ATOM 0 HG2 GLU A 4 2.125 -12.751 -10.109 1.00 41.34 H new ATOM 0 HG3 GLU A 4 2.868 -12.317 -11.636 1.00 41.34 H new ATOM 68 N TRP A 5 2.206 -13.425 -7.401 1.00 41.33 N ATOM 69 CA TRP A 5 1.247 -14.419 -6.881 1.00 45.34 C ATOM 70 C TRP A 5 0.146 -14.755 -7.922 1.00 42.40 C ATOM 71 O TRP A 5 -0.289 -13.888 -8.688 1.00 52.21 O ATOM 72 CB TRP A 5 0.612 -13.896 -5.571 1.00 12.22 C ATOM 73 CG TRP A 5 -0.359 -14.857 -4.933 1.00 74.23 C ATOM 74 CD1 TRP A 5 -0.053 -16.032 -4.320 1.00 32.14 C ATOM 75 CD2 TRP A 5 -1.786 -14.738 -4.869 1.00 45.43 C ATOM 76 NE1 TRP A 5 -1.192 -16.654 -3.905 1.00 14.14 N ATOM 77 CE2 TRP A 5 -2.267 -15.879 -4.213 1.00 63.15 C ATOM 78 CE3 TRP A 5 -2.701 -13.776 -5.296 1.00 61.25 C ATOM 79 CZ2 TRP A 5 -3.616 -16.100 -3.984 1.00 51.33 C ATOM 80 CZ3 TRP A 5 -4.040 -13.996 -5.063 1.00 14.10 C ATOM 81 CH2 TRP A 5 -4.487 -15.146 -4.410 1.00 14.25 C ATOM 0 H TRP A 5 1.831 -12.476 -7.402 1.00 41.33 H new ATOM 0 HA TRP A 5 1.792 -15.341 -6.677 1.00 45.34 H new ATOM 0 HB2 TRP A 5 1.406 -13.672 -4.859 1.00 12.22 H new ATOM 0 HB3 TRP A 5 0.096 -12.959 -5.779 1.00 12.22 H new ATOM 0 HD1 TRP A 5 0.947 -16.416 -4.182 1.00 32.14 H new ATOM 0 HE1 TRP A 5 -1.232 -17.559 -3.437 1.00 14.14 H new ATOM 0 HE3 TRP A 5 -2.367 -12.880 -5.798 1.00 61.25 H new ATOM 0 HZ2 TRP A 5 -3.962 -16.994 -3.487 1.00 51.33 H new ATOM 0 HZ3 TRP A 5 -4.761 -13.262 -5.393 1.00 14.10 H new ATOM 0 HH2 TRP A 5 -5.545 -15.281 -4.240 1.00 14.25 H new ATOM 92 N ARG A 6 -0.309 -16.020 -7.911 1.00 61.11 N ATOM 93 CA ARG A 6 -1.451 -16.497 -8.728 1.00 35.32 C ATOM 94 C ARG A 6 -2.398 -17.395 -7.896 1.00 31.24 C ATOM 95 O ARG A 6 -2.045 -17.851 -6.803 1.00 64.04 O ATOM 96 CB ARG A 6 -0.976 -17.248 -10.016 1.00 23.24 C ATOM 97 CG ARG A 6 -0.075 -18.500 -9.804 1.00 13.14 C ATOM 98 CD ARG A 6 1.333 -18.136 -9.300 1.00 30.43 C ATOM 99 NE ARG A 6 2.282 -19.251 -9.319 1.00 13.41 N ATOM 100 CZ ARG A 6 3.587 -19.112 -9.403 1.00 64.52 C ATOM 101 NH1 ARG A 6 4.137 -17.931 -9.503 1.00 32.44 N ATOM 102 NH2 ARG A 6 4.346 -20.153 -9.399 1.00 13.13 N ATOM 0 H ARG A 6 0.105 -16.750 -7.332 1.00 61.11 H new ATOM 0 HA ARG A 6 -2.004 -15.613 -9.046 1.00 35.32 H new ATOM 0 HB2 ARG A 6 -1.859 -17.555 -10.576 1.00 23.24 H new ATOM 0 HB3 ARG A 6 -0.433 -16.540 -10.642 1.00 23.24 H new ATOM 0 HG2 ARG A 6 -0.552 -19.169 -9.088 1.00 13.14 H new ATOM 0 HG3 ARG A 6 0.009 -19.046 -10.744 1.00 13.14 H new ATOM 0 HD2 ARG A 6 1.728 -17.326 -9.913 1.00 30.43 H new ATOM 0 HD3 ARG A 6 1.256 -17.756 -8.281 1.00 30.43 H new ATOM 0 HE ARG A 6 1.906 -20.198 -9.263 1.00 13.41 H new ATOM 0 HH11 ARG A 6 3.552 -17.096 -9.517 1.00 32.44 H new ATOM 0 HH12 ARG A 6 5.151 -17.845 -9.567 1.00 32.44 H new ATOM 0 HH21 ARG A 6 3.935 -21.084 -9.331 1.00 13.13 H new ATOM 0 HH22 ARG A 6 5.358 -20.046 -9.464 1.00 13.13 H new ATOM 116 N ALA A 7 -3.595 -17.657 -8.453 1.00 40.13 N ATOM 117 CA ALA A 7 -4.617 -18.517 -7.816 1.00 3.23 C ATOM 118 C ALA A 7 -4.151 -19.996 -7.750 1.00 61.11 C ATOM 119 O ALA A 7 -3.540 -20.506 -8.699 1.00 63.12 O ATOM 120 CB ALA A 7 -5.952 -18.399 -8.569 1.00 51.45 C ATOM 0 H ALA A 7 -3.883 -17.280 -9.356 1.00 40.13 H new ATOM 0 HA ALA A 7 -4.760 -18.173 -6.792 1.00 3.23 H new ATOM 0 HB1 ALA A 7 -6.697 -19.036 -8.092 1.00 51.45 H new ATOM 0 HB2 ALA A 7 -6.292 -17.364 -8.547 1.00 51.45 H new ATOM 0 HB3 ALA A 7 -5.815 -18.714 -9.604 1.00 51.45 H new ATOM 126 N GLY A 8 -4.442 -20.673 -6.623 1.00 54.22 N ATOM 127 CA GLY A 8 -3.987 -22.061 -6.400 1.00 22.30 C ATOM 128 C GLY A 8 -2.602 -22.178 -5.739 1.00 62.31 C ATOM 129 O GLY A 8 -2.136 -23.293 -5.484 1.00 11.40 O ATOM 0 H GLY A 8 -4.988 -20.284 -5.854 1.00 54.22 H new ATOM 0 HA2 GLY A 8 -4.718 -22.574 -5.776 1.00 22.30 H new ATOM 0 HA3 GLY A 8 -3.964 -22.581 -7.358 1.00 22.30 H new ATOM 133 N ALA A 9 -1.940 -21.029 -5.480 1.00 43.41 N ATOM 134 CA ALA A 9 -0.590 -20.993 -4.858 1.00 75.15 C ATOM 135 C ALA A 9 -0.604 -21.507 -3.392 1.00 35.32 C ATOM 136 O ALA A 9 -1.607 -21.365 -2.689 1.00 2.13 O ATOM 137 CB ALA A 9 -0.018 -19.570 -4.925 1.00 63.33 C ATOM 0 H ALA A 9 -2.319 -20.106 -5.692 1.00 43.41 H new ATOM 0 HA ALA A 9 0.052 -21.667 -5.426 1.00 75.15 H new ATOM 0 HB1 ALA A 9 0.971 -19.553 -4.467 1.00 63.33 H new ATOM 0 HB2 ALA A 9 0.059 -19.258 -5.966 1.00 63.33 H new ATOM 0 HB3 ALA A 9 -0.677 -18.887 -4.389 1.00 63.33 H new ATOM 143 N SER A 10 0.536 -22.068 -2.929 1.00 40.23 N ATOM 144 CA SER A 10 0.626 -22.732 -1.597 1.00 23.31 C ATOM 145 C SER A 10 0.860 -21.711 -0.468 1.00 32.12 C ATOM 146 O SER A 10 1.542 -20.712 -0.673 1.00 32.33 O ATOM 147 CB SER A 10 1.762 -23.785 -1.581 1.00 30.44 C ATOM 148 OG SER A 10 1.852 -24.415 -0.308 1.00 34.34 O ATOM 0 H SER A 10 1.410 -22.077 -3.454 1.00 40.23 H new ATOM 0 HA SER A 10 -0.329 -23.228 -1.423 1.00 23.31 H new ATOM 0 HB2 SER A 10 1.579 -24.535 -2.350 1.00 30.44 H new ATOM 0 HB3 SER A 10 2.711 -23.306 -1.822 1.00 30.44 H new ATOM 0 HG SER A 10 2.574 -25.077 -0.321 1.00 34.34 H new ATOM 154 N SER A 11 0.335 -22.018 0.737 1.00 53.23 N ATOM 155 CA SER A 11 0.330 -21.089 1.900 1.00 31.32 C ATOM 156 C SER A 11 1.753 -20.695 2.367 1.00 2.13 C ATOM 157 O SER A 11 1.933 -19.611 2.926 1.00 44.41 O ATOM 158 CB SER A 11 -0.465 -21.705 3.071 1.00 64.45 C ATOM 159 OG SER A 11 -1.807 -21.972 2.697 1.00 11.52 O ATOM 0 H SER A 11 -0.100 -22.919 0.937 1.00 53.23 H new ATOM 0 HA SER A 11 -0.156 -20.172 1.567 1.00 31.32 H new ATOM 0 HB2 SER A 11 0.016 -22.628 3.394 1.00 64.45 H new ATOM 0 HB3 SER A 11 -0.451 -21.024 3.922 1.00 64.45 H new ATOM 0 HG SER A 11 -2.287 -22.363 3.457 1.00 11.52 H new ATOM 165 N ASP A 12 2.748 -21.579 2.132 1.00 53.55 N ATOM 166 CA ASP A 12 4.180 -21.289 2.415 1.00 4.23 C ATOM 167 C ASP A 12 4.705 -20.161 1.494 1.00 60.04 C ATOM 168 O ASP A 12 5.337 -19.199 1.954 1.00 41.33 O ATOM 169 CB ASP A 12 5.031 -22.564 2.203 1.00 54.14 C ATOM 170 CG ASP A 12 4.607 -23.718 3.117 1.00 14.53 C ATOM 171 OD1 ASP A 12 5.120 -23.812 4.253 1.00 53.10 O ATOM 172 OD2 ASP A 12 3.744 -24.525 2.709 1.00 5.45 O ATOM 0 H ASP A 12 2.588 -22.508 1.744 1.00 53.55 H new ATOM 0 HA ASP A 12 4.262 -20.963 3.452 1.00 4.23 H new ATOM 0 HB2 ASP A 12 4.950 -22.881 1.163 1.00 54.14 H new ATOM 0 HB3 ASP A 12 6.080 -22.330 2.384 1.00 54.14 H new ATOM 177 N GLU A 13 4.428 -20.311 0.184 1.00 60.31 N ATOM 178 CA GLU A 13 4.791 -19.317 -0.851 1.00 1.34 C ATOM 179 C GLU A 13 4.077 -17.971 -0.612 1.00 14.32 C ATOM 180 O GLU A 13 4.712 -16.911 -0.654 1.00 1.41 O ATOM 181 CB GLU A 13 4.445 -19.864 -2.259 1.00 32.41 C ATOM 182 CG GLU A 13 5.163 -21.179 -2.632 1.00 65.52 C ATOM 183 CD GLU A 13 6.694 -21.045 -2.690 1.00 50.55 C ATOM 184 OE1 GLU A 13 7.206 -20.364 -3.610 1.00 0.11 O ATOM 185 OE2 GLU A 13 7.396 -21.618 -1.826 1.00 13.11 O ATOM 0 H GLU A 13 3.944 -21.128 -0.190 1.00 60.31 H new ATOM 0 HA GLU A 13 5.865 -19.142 -0.788 1.00 1.34 H new ATOM 0 HB2 GLU A 13 3.368 -20.024 -2.318 1.00 32.41 H new ATOM 0 HB3 GLU A 13 4.696 -19.106 -3.001 1.00 32.41 H new ATOM 0 HG2 GLU A 13 4.900 -21.947 -1.904 1.00 65.52 H new ATOM 0 HG3 GLU A 13 4.799 -21.521 -3.601 1.00 65.52 H new ATOM 192 N ILE A 14 2.750 -18.042 -0.342 1.00 50.54 N ATOM 193 CA ILE A 14 1.913 -16.853 -0.059 1.00 15.40 C ATOM 194 C ILE A 14 2.432 -16.101 1.189 1.00 22.11 C ATOM 195 O ILE A 14 2.450 -14.886 1.194 1.00 13.13 O ATOM 196 CB ILE A 14 0.380 -17.209 0.136 1.00 32.43 C ATOM 197 CG1 ILE A 14 -0.167 -18.013 -1.087 1.00 13.40 C ATOM 198 CG2 ILE A 14 -0.475 -15.929 0.369 1.00 51.12 C ATOM 199 CD1 ILE A 14 -1.671 -18.302 -1.066 1.00 43.14 C ATOM 0 H ILE A 14 2.234 -18.921 -0.315 1.00 50.54 H new ATOM 0 HA ILE A 14 1.991 -16.211 -0.936 1.00 15.40 H new ATOM 0 HB ILE A 14 0.301 -17.835 1.025 1.00 32.43 H new ATOM 0 HG12 ILE A 14 0.067 -17.460 -1.997 1.00 13.40 H new ATOM 0 HG13 ILE A 14 0.367 -18.962 -1.144 1.00 13.40 H new ATOM 0 HG21 ILE A 14 -1.521 -16.208 0.499 1.00 51.12 H new ATOM 0 HG22 ILE A 14 -0.123 -15.414 1.263 1.00 51.12 H new ATOM 0 HG23 ILE A 14 -0.381 -15.267 -0.492 1.00 51.12 H new ATOM 0 HD11 ILE A 14 -1.946 -18.864 -1.959 1.00 43.14 H new ATOM 0 HD12 ILE A 14 -1.917 -18.886 -0.179 1.00 43.14 H new ATOM 0 HD13 ILE A 14 -2.222 -17.362 -1.045 1.00 43.14 H new ATOM 211 N ASN A 15 2.891 -16.850 2.214 1.00 62.55 N ATOM 212 CA ASN A 15 3.415 -16.277 3.485 1.00 63.11 C ATOM 213 C ASN A 15 4.619 -15.322 3.241 1.00 13.12 C ATOM 214 O ASN A 15 4.726 -14.262 3.875 1.00 4.14 O ATOM 215 CB ASN A 15 3.822 -17.426 4.442 1.00 52.12 C ATOM 216 CG ASN A 15 4.163 -16.948 5.855 1.00 3.12 C ATOM 217 OD1 ASN A 15 5.304 -16.629 6.163 1.00 2.44 O ATOM 218 ND2 ASN A 15 3.173 -16.890 6.726 1.00 23.52 N ATOM 0 H ASN A 15 2.911 -17.870 2.190 1.00 62.55 H new ATOM 0 HA ASN A 15 2.622 -15.683 3.940 1.00 63.11 H new ATOM 0 HB2 ASN A 15 3.008 -18.148 4.497 1.00 52.12 H new ATOM 0 HB3 ASN A 15 4.683 -17.948 4.025 1.00 52.12 H new ATOM 0 HD21 ASN A 15 3.350 -16.574 7.679 1.00 23.52 H new ATOM 0 HD22 ASN A 15 2.231 -17.161 6.446 1.00 23.52 H new ATOM 225 N ALA A 16 5.510 -15.718 2.311 1.00 61.52 N ATOM 226 CA ALA A 16 6.674 -14.894 1.896 1.00 62.33 C ATOM 227 C ALA A 16 6.223 -13.633 1.111 1.00 62.24 C ATOM 228 O ALA A 16 6.788 -12.549 1.284 1.00 32.15 O ATOM 229 CB ALA A 16 7.640 -15.740 1.049 1.00 23.43 C ATOM 0 H ALA A 16 5.448 -16.613 1.825 1.00 61.52 H new ATOM 0 HA ALA A 16 7.190 -14.556 2.795 1.00 62.33 H new ATOM 0 HB1 ALA A 16 8.491 -15.129 0.748 1.00 23.43 H new ATOM 0 HB2 ALA A 16 7.992 -16.588 1.636 1.00 23.43 H new ATOM 0 HB3 ALA A 16 7.123 -16.103 0.161 1.00 23.43 H new ATOM 235 N ILE A 17 5.199 -13.809 0.256 1.00 15.53 N ATOM 236 CA ILE A 17 4.582 -12.719 -0.549 1.00 63.00 C ATOM 237 C ILE A 17 3.899 -11.665 0.368 1.00 14.14 C ATOM 238 O ILE A 17 4.033 -10.465 0.151 1.00 0.12 O ATOM 239 CB ILE A 17 3.544 -13.342 -1.569 1.00 54.24 C ATOM 240 CG1 ILE A 17 4.280 -14.339 -2.524 1.00 71.42 C ATOM 241 CG2 ILE A 17 2.772 -12.257 -2.370 1.00 1.34 C ATOM 242 CD1 ILE A 17 3.385 -15.160 -3.436 1.00 74.10 C ATOM 0 H ILE A 17 4.766 -14.719 0.097 1.00 15.53 H new ATOM 0 HA ILE A 17 5.364 -12.204 -1.107 1.00 63.00 H new ATOM 0 HB ILE A 17 2.793 -13.884 -0.994 1.00 54.24 H new ATOM 0 HG12 ILE A 17 4.977 -13.773 -3.143 1.00 71.42 H new ATOM 0 HG13 ILE A 17 4.874 -15.022 -1.918 1.00 71.42 H new ATOM 0 HG21 ILE A 17 2.074 -12.738 -3.055 1.00 1.34 H new ATOM 0 HG22 ILE A 17 2.221 -11.618 -1.680 1.00 1.34 H new ATOM 0 HG23 ILE A 17 3.479 -11.653 -2.938 1.00 1.34 H new ATOM 0 HD11 ILE A 17 3.999 -15.816 -4.054 1.00 74.10 H new ATOM 0 HD12 ILE A 17 2.705 -15.761 -2.833 1.00 74.10 H new ATOM 0 HD13 ILE A 17 2.809 -14.493 -4.077 1.00 74.10 H new ATOM 254 N ILE A 18 3.210 -12.162 1.408 1.00 61.01 N ATOM 255 CA ILE A 18 2.564 -11.350 2.465 1.00 42.54 C ATOM 256 C ILE A 18 3.598 -10.436 3.161 1.00 20.51 C ATOM 257 O ILE A 18 3.454 -9.215 3.178 1.00 62.44 O ATOM 258 CB ILE A 18 1.885 -12.312 3.527 1.00 34.24 C ATOM 259 CG1 ILE A 18 0.646 -13.040 2.919 1.00 4.43 C ATOM 260 CG2 ILE A 18 1.500 -11.583 4.836 1.00 62.40 C ATOM 261 CD1 ILE A 18 0.100 -14.174 3.769 1.00 31.15 C ATOM 0 H ILE A 18 3.081 -13.164 1.545 1.00 61.01 H new ATOM 0 HA ILE A 18 1.803 -10.717 2.008 1.00 42.54 H new ATOM 0 HB ILE A 18 2.635 -13.058 3.787 1.00 34.24 H new ATOM 0 HG12 ILE A 18 -0.146 -12.309 2.759 1.00 4.43 H new ATOM 0 HG13 ILE A 18 0.917 -13.435 1.940 1.00 4.43 H new ATOM 0 HG21 ILE A 18 1.040 -12.291 5.525 1.00 62.40 H new ATOM 0 HG22 ILE A 18 2.394 -11.161 5.294 1.00 62.40 H new ATOM 0 HG23 ILE A 18 0.794 -10.783 4.613 1.00 62.40 H new ATOM 0 HD11 ILE A 18 -0.759 -14.622 3.270 1.00 31.15 H new ATOM 0 HD12 ILE A 18 0.873 -14.929 3.908 1.00 31.15 H new ATOM 0 HD13 ILE A 18 -0.207 -13.786 4.740 1.00 31.15 H new ATOM 273 N ARG A 19 4.653 -11.072 3.694 1.00 30.12 N ATOM 274 CA ARG A 19 5.745 -10.391 4.423 1.00 45.54 C ATOM 275 C ARG A 19 6.525 -9.408 3.509 1.00 42.41 C ATOM 276 O ARG A 19 7.032 -8.386 3.981 1.00 22.34 O ATOM 277 CB ARG A 19 6.670 -11.474 5.038 1.00 73.12 C ATOM 278 CG ARG A 19 7.822 -10.943 5.925 1.00 62.51 C ATOM 279 CD ARG A 19 8.552 -12.075 6.670 1.00 64.43 C ATOM 280 NE ARG A 19 9.693 -11.584 7.466 1.00 42.11 N ATOM 281 CZ ARG A 19 10.602 -12.346 8.043 1.00 24.12 C ATOM 282 NH1 ARG A 19 10.521 -13.642 8.020 1.00 61.10 N ATOM 283 NH2 ARG A 19 11.582 -11.796 8.672 1.00 41.31 N ATOM 0 H ARG A 19 4.777 -12.083 3.633 1.00 30.12 H new ATOM 0 HA ARG A 19 5.325 -9.779 5.221 1.00 45.54 H new ATOM 0 HB2 ARG A 19 6.059 -12.152 5.634 1.00 73.12 H new ATOM 0 HB3 ARG A 19 7.101 -12.062 4.227 1.00 73.12 H new ATOM 0 HG2 ARG A 19 8.535 -10.400 5.305 1.00 62.51 H new ATOM 0 HG3 ARG A 19 7.423 -10.232 6.649 1.00 62.51 H new ATOM 0 HD2 ARG A 19 7.848 -12.586 7.327 1.00 64.43 H new ATOM 0 HD3 ARG A 19 8.907 -12.811 5.948 1.00 64.43 H new ATOM 0 HE ARG A 19 9.786 -10.575 7.579 1.00 42.11 H new ATOM 0 HH11 ARG A 19 9.740 -14.096 7.547 1.00 61.10 H new ATOM 0 HH12 ARG A 19 11.239 -14.206 8.475 1.00 61.10 H new ATOM 0 HH21 ARG A 19 11.650 -10.779 8.721 1.00 41.31 H new ATOM 0 HH22 ARG A 19 12.290 -12.377 9.121 1.00 41.31 H new ATOM 297 N ALA A 20 6.579 -9.722 2.199 1.00 44.41 N ATOM 298 CA ALA A 20 7.188 -8.840 1.173 1.00 53.23 C ATOM 299 C ALA A 20 6.351 -7.552 0.958 1.00 1.54 C ATOM 300 O ALA A 20 6.911 -6.460 0.832 1.00 53.52 O ATOM 301 CB ALA A 20 7.352 -9.599 -0.154 1.00 34.02 C ATOM 0 H ALA A 20 6.204 -10.591 1.819 1.00 44.41 H new ATOM 0 HA ALA A 20 8.171 -8.540 1.535 1.00 53.23 H new ATOM 0 HB1 ALA A 20 7.800 -8.940 -0.897 1.00 34.02 H new ATOM 0 HB2 ALA A 20 7.997 -10.464 -0.001 1.00 34.02 H new ATOM 0 HB3 ALA A 20 6.376 -9.932 -0.506 1.00 34.02 H new ATOM 307 N VAL A 21 5.006 -7.703 0.926 1.00 44.35 N ATOM 308 CA VAL A 21 4.055 -6.565 0.820 1.00 24.14 C ATOM 309 C VAL A 21 4.134 -5.676 2.083 1.00 13.33 C ATOM 310 O VAL A 21 4.189 -4.453 1.987 1.00 45.41 O ATOM 311 CB VAL A 21 2.566 -7.058 0.619 1.00 52.41 C ATOM 312 CG1 VAL A 21 1.557 -5.878 0.649 1.00 30.43 C ATOM 313 CG2 VAL A 21 2.409 -7.869 -0.691 1.00 3.44 C ATOM 0 H VAL A 21 4.548 -8.613 0.973 1.00 44.35 H new ATOM 0 HA VAL A 21 4.344 -5.986 -0.057 1.00 24.14 H new ATOM 0 HB VAL A 21 2.338 -7.715 1.458 1.00 52.41 H new ATOM 0 HG11 VAL A 21 0.546 -6.260 0.507 1.00 30.43 H new ATOM 0 HG12 VAL A 21 1.621 -5.369 1.611 1.00 30.43 H new ATOM 0 HG13 VAL A 21 1.795 -5.176 -0.150 1.00 30.43 H new ATOM 0 HG21 VAL A 21 1.373 -8.192 -0.797 1.00 3.44 H new ATOM 0 HG22 VAL A 21 2.683 -7.244 -1.541 1.00 3.44 H new ATOM 0 HG23 VAL A 21 3.060 -8.743 -0.658 1.00 3.44 H new ATOM 323 N TYR A 22 4.144 -6.321 3.261 1.00 14.04 N ATOM 324 CA TYR A 22 4.274 -5.637 4.565 1.00 25.32 C ATOM 325 C TYR A 22 5.576 -4.807 4.677 1.00 64.31 C ATOM 326 O TYR A 22 5.538 -3.686 5.149 1.00 72.21 O ATOM 327 CB TYR A 22 4.207 -6.658 5.725 1.00 15.41 C ATOM 328 CG TYR A 22 2.796 -7.007 6.227 1.00 73.31 C ATOM 329 CD1 TYR A 22 2.134 -6.177 7.136 1.00 30.40 C ATOM 330 CD2 TYR A 22 2.150 -8.177 5.846 1.00 31.40 C ATOM 331 CE1 TYR A 22 0.889 -6.506 7.633 1.00 45.54 C ATOM 332 CE2 TYR A 22 0.907 -8.509 6.349 1.00 15.23 C ATOM 333 CZ TYR A 22 0.283 -7.675 7.240 1.00 75.11 C ATOM 334 OH TYR A 22 -0.947 -8.019 7.755 1.00 74.00 O ATOM 0 H TYR A 22 4.062 -7.335 3.340 1.00 14.04 H new ATOM 0 HA TYR A 22 3.436 -4.944 4.636 1.00 25.32 H new ATOM 0 HB2 TYR A 22 4.696 -7.578 5.403 1.00 15.41 H new ATOM 0 HB3 TYR A 22 4.784 -6.266 6.563 1.00 15.41 H new ATOM 0 HD1 TYR A 22 2.606 -5.260 7.456 1.00 30.40 H new ATOM 0 HD2 TYR A 22 2.630 -8.841 5.142 1.00 31.40 H new ATOM 0 HE1 TYR A 22 0.392 -5.846 8.329 1.00 45.54 H new ATOM 0 HE2 TYR A 22 0.427 -9.426 6.040 1.00 15.23 H new ATOM 0 HH TYR A 22 -1.035 -8.995 7.769 1.00 74.00 H new ATOM 344 N ARG A 23 6.725 -5.370 4.271 1.00 1.21 N ATOM 345 CA ARG A 23 8.010 -4.626 4.305 1.00 23.03 C ATOM 346 C ARG A 23 8.077 -3.548 3.197 1.00 21.03 C ATOM 347 O ARG A 23 8.792 -2.557 3.340 1.00 72.32 O ATOM 348 CB ARG A 23 9.237 -5.575 4.246 1.00 14.23 C ATOM 349 CG ARG A 23 9.393 -6.489 5.497 1.00 75.03 C ATOM 350 CD ARG A 23 10.853 -6.932 5.739 1.00 60.02 C ATOM 351 NE ARG A 23 11.740 -5.771 5.986 1.00 12.10 N ATOM 352 CZ ARG A 23 12.867 -5.786 6.675 1.00 34.23 C ATOM 353 NH1 ARG A 23 13.331 -6.877 7.192 1.00 22.42 N ATOM 354 NH2 ARG A 23 13.522 -4.686 6.851 1.00 61.30 N ATOM 0 H ARG A 23 6.799 -6.324 3.919 1.00 1.21 H new ATOM 0 HA ARG A 23 8.049 -4.112 5.266 1.00 23.03 H new ATOM 0 HB2 ARG A 23 9.155 -6.203 3.358 1.00 14.23 H new ATOM 0 HB3 ARG A 23 10.141 -4.977 4.131 1.00 14.23 H new ATOM 0 HG2 ARG A 23 9.029 -5.958 6.377 1.00 75.03 H new ATOM 0 HG3 ARG A 23 8.766 -7.372 5.376 1.00 75.03 H new ATOM 0 HD2 ARG A 23 10.892 -7.609 6.593 1.00 60.02 H new ATOM 0 HD3 ARG A 23 11.213 -7.489 4.874 1.00 60.02 H new ATOM 0 HE ARG A 23 11.454 -4.877 5.587 1.00 12.10 H new ATOM 0 HH11 ARG A 23 12.824 -7.754 7.072 1.00 22.42 H new ATOM 0 HH12 ARG A 23 14.204 -6.860 7.720 1.00 22.42 H new ATOM 0 HH21 ARG A 23 13.168 -3.813 6.459 1.00 61.30 H new ATOM 0 HH22 ARG A 23 14.393 -4.690 7.382 1.00 61.30 H new ATOM 368 N GLN A 24 7.362 -3.770 2.081 1.00 22.21 N ATOM 369 CA GLN A 24 7.204 -2.746 1.020 1.00 5.55 C ATOM 370 C GLN A 24 6.411 -1.515 1.544 1.00 55.13 C ATOM 371 O GLN A 24 6.827 -0.375 1.339 1.00 14.31 O ATOM 372 CB GLN A 24 6.511 -3.391 -0.229 1.00 44.22 C ATOM 373 CG GLN A 24 5.971 -2.404 -1.313 1.00 13.54 C ATOM 374 CD GLN A 24 4.443 -2.222 -1.298 1.00 45.31 C ATOM 375 OE1 GLN A 24 3.696 -3.136 -0.961 1.00 75.34 O ATOM 376 NE2 GLN A 24 3.965 -1.048 -1.674 1.00 22.24 N ATOM 0 H GLN A 24 6.882 -4.648 1.885 1.00 22.21 H new ATOM 0 HA GLN A 24 8.188 -2.384 0.723 1.00 5.55 H new ATOM 0 HB2 GLN A 24 7.224 -4.064 -0.705 1.00 44.22 H new ATOM 0 HB3 GLN A 24 5.679 -4.003 0.120 1.00 44.22 H new ATOM 0 HG2 GLN A 24 6.442 -1.432 -1.170 1.00 13.54 H new ATOM 0 HG3 GLN A 24 6.273 -2.763 -2.297 1.00 13.54 H new ATOM 0 HE21 GLN A 24 4.604 -0.302 -1.950 1.00 22.24 H new ATOM 0 HE22 GLN A 24 2.958 -0.888 -1.688 1.00 22.24 H new ATOM 385 N VAL A 25 5.299 -1.774 2.256 1.00 63.02 N ATOM 386 CA VAL A 25 4.416 -0.721 2.805 1.00 13.11 C ATOM 387 C VAL A 25 5.003 -0.061 4.090 1.00 51.33 C ATOM 388 O VAL A 25 4.888 1.143 4.271 1.00 2.20 O ATOM 389 CB VAL A 25 2.966 -1.283 3.075 1.00 1.00 C ATOM 390 CG1 VAL A 25 2.046 -0.220 3.722 1.00 32.34 C ATOM 391 CG2 VAL A 25 2.319 -1.828 1.772 1.00 23.14 C ATOM 0 H VAL A 25 4.984 -2.721 2.469 1.00 63.02 H new ATOM 0 HA VAL A 25 4.350 0.060 2.048 1.00 13.11 H new ATOM 0 HB VAL A 25 3.076 -2.107 3.780 1.00 1.00 H new ATOM 0 HG11 VAL A 25 1.058 -0.648 3.891 1.00 32.34 H new ATOM 0 HG12 VAL A 25 2.471 0.098 4.674 1.00 32.34 H new ATOM 0 HG13 VAL A 25 1.960 0.640 3.058 1.00 32.34 H new ATOM 0 HG21 VAL A 25 1.321 -2.208 1.992 1.00 23.14 H new ATOM 0 HG22 VAL A 25 2.248 -1.025 1.038 1.00 23.14 H new ATOM 0 HG23 VAL A 25 2.933 -2.634 1.370 1.00 23.14 H new ATOM 401 N LEU A 26 5.629 -0.854 4.981 1.00 32.11 N ATOM 402 CA LEU A 26 6.181 -0.344 6.269 1.00 71.55 C ATOM 403 C LEU A 26 7.692 0.005 6.145 1.00 73.53 C ATOM 404 O LEU A 26 8.087 1.163 6.328 1.00 23.10 O ATOM 405 CB LEU A 26 5.943 -1.353 7.451 1.00 10.41 C ATOM 406 CG LEU A 26 4.467 -1.458 7.999 1.00 63.21 C ATOM 407 CD1 LEU A 26 3.537 -2.252 7.058 1.00 10.13 C ATOM 408 CD2 LEU A 26 4.430 -2.035 9.437 1.00 63.40 C ATOM 0 H LEU A 26 5.770 -1.854 4.839 1.00 32.11 H new ATOM 0 HA LEU A 26 5.638 0.573 6.500 1.00 71.55 H new ATOM 0 HB2 LEU A 26 6.256 -2.344 7.122 1.00 10.41 H new ATOM 0 HB3 LEU A 26 6.595 -1.070 8.278 1.00 10.41 H new ATOM 0 HG LEU A 26 4.083 -0.438 8.035 1.00 63.21 H new ATOM 0 HD11 LEU A 26 2.535 -2.292 7.485 1.00 10.13 H new ATOM 0 HD12 LEU A 26 3.498 -1.761 6.086 1.00 10.13 H new ATOM 0 HD13 LEU A 26 3.921 -3.265 6.937 1.00 10.13 H new ATOM 0 HD21 LEU A 26 3.397 -2.092 9.780 1.00 63.40 H new ATOM 0 HD22 LEU A 26 4.869 -3.033 9.440 1.00 63.40 H new ATOM 0 HD23 LEU A 26 4.998 -1.387 10.104 1.00 63.40 H new ATOM 420 N GLY A 27 8.529 -1.007 5.845 1.00 14.33 N ATOM 421 CA GLY A 27 9.998 -0.835 5.745 1.00 32.32 C ATOM 422 C GLY A 27 10.758 -1.896 6.549 1.00 60.21 C ATOM 423 O GLY A 27 11.495 -2.718 5.984 1.00 20.55 O ATOM 0 H GLY A 27 8.213 -1.960 5.666 1.00 14.33 H new ATOM 0 HA2 GLY A 27 10.299 -0.889 4.699 1.00 32.32 H new ATOM 0 HA3 GLY A 27 10.272 0.157 6.104 1.00 32.32 H new ATOM 427 N ASN A 28 10.560 -1.880 7.877 1.00 61.24 N ATOM 428 CA ASN A 28 11.176 -2.860 8.811 1.00 43.12 C ATOM 429 C ASN A 28 10.393 -4.197 8.828 1.00 63.40 C ATOM 430 O ASN A 28 9.368 -4.343 8.144 1.00 73.24 O ATOM 431 CB ASN A 28 11.221 -2.263 10.253 1.00 2.14 C ATOM 432 CG ASN A 28 12.122 -1.031 10.390 1.00 45.13 C ATOM 433 OD1 ASN A 28 12.337 -0.285 9.440 1.00 34.42 O ATOM 434 ND2 ASN A 28 12.652 -0.803 11.577 1.00 32.14 N ATOM 0 H ASN A 28 9.970 -1.190 8.342 1.00 61.24 H new ATOM 0 HA ASN A 28 12.189 -3.063 8.462 1.00 43.12 H new ATOM 0 HB2 ASN A 28 10.209 -1.996 10.556 1.00 2.14 H new ATOM 0 HB3 ASN A 28 11.568 -3.032 10.943 1.00 2.14 H new ATOM 0 HD21 ASN A 28 13.255 0.008 11.719 1.00 32.14 H new ATOM 0 HD22 ASN A 28 12.459 -1.437 12.352 1.00 32.14 H new ATOM 441 N ASP A 29 10.911 -5.188 9.591 1.00 50.21 N ATOM 442 CA ASP A 29 10.130 -6.385 9.960 1.00 11.42 C ATOM 443 C ASP A 29 8.889 -5.940 10.759 1.00 34.23 C ATOM 444 O ASP A 29 9.009 -5.319 11.828 1.00 63.12 O ATOM 445 CB ASP A 29 10.982 -7.375 10.779 1.00 20.21 C ATOM 446 CG ASP A 29 12.161 -7.930 9.970 1.00 72.41 C ATOM 447 OD1 ASP A 29 11.958 -8.876 9.170 1.00 5.11 O ATOM 448 OD2 ASP A 29 13.291 -7.417 10.109 1.00 43.31 O ATOM 0 H ASP A 29 11.862 -5.180 9.960 1.00 50.21 H new ATOM 0 HA ASP A 29 9.816 -6.903 9.054 1.00 11.42 H new ATOM 0 HB2 ASP A 29 11.359 -6.876 11.672 1.00 20.21 H new ATOM 0 HB3 ASP A 29 10.354 -8.200 11.116 1.00 20.21 H new ATOM 453 N TYR A 30 7.712 -6.222 10.200 1.00 35.04 N ATOM 454 CA TYR A 30 6.447 -5.611 10.635 1.00 43.33 C ATOM 455 C TYR A 30 5.915 -6.145 11.988 1.00 5.24 C ATOM 456 O TYR A 30 6.536 -6.991 12.641 1.00 62.33 O ATOM 457 CB TYR A 30 5.377 -5.781 9.530 1.00 25.41 C ATOM 458 CG TYR A 30 4.930 -7.231 9.271 1.00 51.30 C ATOM 459 CD1 TYR A 30 5.701 -8.092 8.485 1.00 32.31 C ATOM 460 CD2 TYR A 30 3.711 -7.722 9.766 1.00 41.52 C ATOM 461 CE1 TYR A 30 5.285 -9.378 8.210 1.00 23.13 C ATOM 462 CE2 TYR A 30 3.293 -9.005 9.479 1.00 63.22 C ATOM 463 CZ TYR A 30 4.080 -9.829 8.698 1.00 34.51 C ATOM 464 OH TYR A 30 3.656 -11.108 8.401 1.00 2.20 O ATOM 0 H TYR A 30 7.604 -6.882 9.430 1.00 35.04 H new ATOM 0 HA TYR A 30 6.659 -4.555 10.800 1.00 43.33 H new ATOM 0 HB2 TYR A 30 4.502 -5.190 9.800 1.00 25.41 H new ATOM 0 HB3 TYR A 30 5.768 -5.366 8.601 1.00 25.41 H new ATOM 0 HD1 TYR A 30 6.642 -7.743 8.085 1.00 32.31 H new ATOM 0 HD2 TYR A 30 3.091 -7.086 10.381 1.00 41.52 H new ATOM 0 HE1 TYR A 30 5.904 -10.030 7.612 1.00 23.13 H new ATOM 0 HE2 TYR A 30 2.351 -9.365 9.865 1.00 63.22 H new ATOM 0 HH TYR A 30 4.434 -11.691 8.283 1.00 2.20 H new ATOM 474 N VAL A 31 4.741 -5.605 12.359 1.00 64.34 N ATOM 475 CA VAL A 31 3.992 -5.928 13.588 1.00 73.13 C ATOM 476 C VAL A 31 3.856 -7.469 13.849 1.00 64.10 C ATOM 477 O VAL A 31 4.609 -8.029 14.666 1.00 15.20 O ATOM 478 CB VAL A 31 2.577 -5.218 13.517 1.00 64.22 C ATOM 479 CG1 VAL A 31 1.673 -5.583 14.715 1.00 32.43 C ATOM 480 CG2 VAL A 31 2.740 -3.675 13.392 1.00 4.13 C ATOM 0 H VAL A 31 4.268 -4.904 11.789 1.00 64.34 H new ATOM 0 HA VAL A 31 4.557 -5.550 14.440 1.00 73.13 H new ATOM 0 HB VAL A 31 2.078 -5.589 12.622 1.00 64.22 H new ATOM 0 HG11 VAL A 31 0.716 -5.070 14.618 1.00 32.43 H new ATOM 0 HG12 VAL A 31 1.508 -6.660 14.731 1.00 32.43 H new ATOM 0 HG13 VAL A 31 2.157 -5.276 15.642 1.00 32.43 H new ATOM 0 HG21 VAL A 31 1.756 -3.208 13.345 1.00 4.13 H new ATOM 0 HG22 VAL A 31 3.281 -3.295 14.259 1.00 4.13 H new ATOM 0 HG23 VAL A 31 3.297 -3.440 12.485 1.00 4.13 H new ATOM 490 N MET A 32 2.920 -8.138 13.121 1.00 42.34 N ATOM 491 CA MET A 32 2.551 -9.579 13.315 1.00 73.53 C ATOM 492 C MET A 32 2.003 -9.881 14.751 1.00 35.13 C ATOM 493 O MET A 32 2.183 -9.087 15.679 1.00 44.15 O ATOM 494 CB MET A 32 3.745 -10.550 12.965 1.00 4.51 C ATOM 495 CG MET A 32 3.433 -11.585 11.868 1.00 15.44 C ATOM 496 SD MET A 32 1.881 -12.479 12.139 1.00 31.43 S ATOM 497 CE MET A 32 1.642 -13.268 10.539 1.00 50.41 C ATOM 0 H MET A 32 2.391 -7.691 12.372 1.00 42.34 H new ATOM 0 HA MET A 32 1.740 -9.769 12.612 1.00 73.53 H new ATOM 0 HB2 MET A 32 4.600 -9.953 12.649 1.00 4.51 H new ATOM 0 HB3 MET A 32 4.042 -11.079 13.870 1.00 4.51 H new ATOM 0 HG2 MET A 32 3.388 -11.078 10.904 1.00 15.44 H new ATOM 0 HG3 MET A 32 4.252 -12.303 11.813 1.00 15.44 H new ATOM 0 HE1 MET A 32 0.723 -13.854 10.556 1.00 50.41 H new ATOM 0 HE2 MET A 32 1.571 -12.505 9.764 1.00 50.41 H new ATOM 0 HE3 MET A 32 2.487 -13.923 10.327 1.00 50.41 H new ATOM 507 N SER A 33 1.323 -11.046 14.889 1.00 24.33 N ATOM 508 CA SER A 33 0.843 -11.626 16.188 1.00 71.32 C ATOM 509 C SER A 33 -0.399 -10.898 16.777 1.00 31.34 C ATOM 510 O SER A 33 -1.380 -11.544 17.168 1.00 1.25 O ATOM 511 CB SER A 33 1.973 -11.708 17.252 1.00 74.22 C ATOM 512 OG SER A 33 1.538 -12.351 18.445 1.00 53.15 O ATOM 0 H SER A 33 1.083 -11.629 14.087 1.00 24.33 H new ATOM 0 HA SER A 33 0.529 -12.639 15.938 1.00 71.32 H new ATOM 0 HB2 SER A 33 2.823 -12.250 16.837 1.00 74.22 H new ATOM 0 HB3 SER A 33 2.321 -10.703 17.489 1.00 74.22 H new ATOM 0 HG SER A 33 2.277 -12.384 19.087 1.00 53.15 H new ATOM 518 N THR A 34 -0.345 -9.556 16.837 1.00 41.34 N ATOM 519 CA THR A 34 -1.451 -8.699 17.335 1.00 5.42 C ATOM 520 C THR A 34 -2.661 -8.725 16.361 1.00 44.33 C ATOM 521 O THR A 34 -2.643 -9.433 15.337 1.00 23.31 O ATOM 522 CB THR A 34 -0.978 -7.199 17.503 1.00 73.14 C ATOM 523 OG1 THR A 34 -1.001 -6.519 16.229 1.00 61.15 O ATOM 524 CG2 THR A 34 0.447 -7.094 18.074 1.00 70.00 C ATOM 0 H THR A 34 0.473 -9.024 16.540 1.00 41.34 H new ATOM 0 HA THR A 34 -1.751 -9.100 18.303 1.00 5.42 H new ATOM 0 HB THR A 34 -1.672 -6.734 18.204 1.00 73.14 H new ATOM 0 HG1 THR A 34 -0.708 -5.591 16.348 1.00 61.15 H new ATOM 0 HG21 THR A 34 0.724 -6.044 18.170 1.00 70.00 H new ATOM 0 HG22 THR A 34 0.482 -7.570 19.054 1.00 70.00 H new ATOM 0 HG23 THR A 34 1.146 -7.594 17.403 1.00 70.00 H new ATOM 532 N GLU A 35 -3.719 -7.950 16.671 1.00 12.34 N ATOM 533 CA GLU A 35 -4.798 -7.686 15.702 1.00 30.34 C ATOM 534 C GLU A 35 -4.292 -6.685 14.631 1.00 32.30 C ATOM 535 O GLU A 35 -4.403 -5.466 14.787 1.00 24.31 O ATOM 536 CB GLU A 35 -6.103 -7.194 16.402 1.00 50.21 C ATOM 537 CG GLU A 35 -7.279 -6.881 15.439 1.00 51.40 C ATOM 538 CD GLU A 35 -7.611 -8.038 14.473 1.00 30.31 C ATOM 539 OE1 GLU A 35 -8.299 -8.993 14.892 1.00 24.33 O ATOM 540 OE2 GLU A 35 -7.192 -7.995 13.284 1.00 65.40 O ATOM 0 H GLU A 35 -3.848 -7.500 17.577 1.00 12.34 H new ATOM 0 HA GLU A 35 -5.063 -8.620 15.206 1.00 30.34 H new ATOM 0 HB2 GLU A 35 -6.426 -7.955 17.113 1.00 50.21 H new ATOM 0 HB3 GLU A 35 -5.874 -6.297 16.977 1.00 50.21 H new ATOM 0 HG2 GLU A 35 -8.166 -6.644 16.027 1.00 51.40 H new ATOM 0 HG3 GLU A 35 -7.035 -5.992 14.858 1.00 51.40 H new ATOM 547 N ARG A 36 -3.647 -7.237 13.582 1.00 13.12 N ATOM 548 CA ARG A 36 -3.122 -6.469 12.440 1.00 53.51 C ATOM 549 C ARG A 36 -4.135 -6.533 11.265 1.00 11.14 C ATOM 550 O ARG A 36 -4.809 -5.541 10.966 1.00 42.24 O ATOM 551 CB ARG A 36 -1.699 -7.013 12.028 1.00 54.03 C ATOM 552 CG ARG A 36 -0.667 -5.932 11.611 1.00 45.44 C ATOM 553 CD ARG A 36 -1.061 -5.116 10.365 1.00 31.02 C ATOM 554 NE ARG A 36 -0.112 -4.006 10.116 1.00 1.43 N ATOM 555 CZ ARG A 36 -0.052 -3.279 9.015 1.00 33.40 C ATOM 556 NH1 ARG A 36 -0.739 -3.590 7.960 1.00 32.22 N ATOM 557 NH2 ARG A 36 0.731 -2.248 8.967 1.00 52.42 N ATOM 0 H ARG A 36 -3.476 -8.240 13.506 1.00 13.12 H new ATOM 0 HA ARG A 36 -2.998 -5.423 12.720 1.00 53.51 H new ATOM 0 HB2 ARG A 36 -1.289 -7.579 12.865 1.00 54.03 H new ATOM 0 HB3 ARG A 36 -1.822 -7.712 11.201 1.00 54.03 H new ATOM 0 HG2 ARG A 36 -0.520 -5.247 12.446 1.00 45.44 H new ATOM 0 HG3 ARG A 36 0.291 -6.416 11.424 1.00 45.44 H new ATOM 0 HD2 ARG A 36 -1.091 -5.772 9.495 1.00 31.02 H new ATOM 0 HD3 ARG A 36 -2.066 -4.714 10.496 1.00 31.02 H new ATOM 0 HE ARG A 36 0.552 -3.784 10.858 1.00 1.43 H new ATOM 0 HH11 ARG A 36 -1.343 -4.412 7.969 1.00 32.22 H new ATOM 0 HH12 ARG A 36 -0.676 -3.012 7.122 1.00 32.22 H new ATOM 0 HH21 ARG A 36 1.298 -2.000 9.778 1.00 52.42 H new ATOM 0 HH22 ARG A 36 0.780 -1.684 8.119 1.00 52.42 H new ATOM 571 N LEU A 37 -4.246 -7.725 10.629 1.00 4.12 N ATOM 572 CA LEU A 37 -5.060 -7.950 9.397 1.00 24.23 C ATOM 573 C LEU A 37 -5.493 -9.438 9.271 1.00 1.02 C ATOM 574 O LEU A 37 -5.465 -9.984 8.171 1.00 42.11 O ATOM 575 CB LEU A 37 -4.240 -7.543 8.119 1.00 34.44 C ATOM 576 CG LEU A 37 -4.064 -6.022 7.819 1.00 54.33 C ATOM 577 CD1 LEU A 37 -3.124 -5.814 6.622 1.00 44.54 C ATOM 578 CD2 LEU A 37 -5.425 -5.330 7.581 1.00 51.41 C ATOM 0 H LEU A 37 -3.772 -8.567 10.955 1.00 4.12 H new ATOM 0 HA LEU A 37 -5.953 -7.330 9.475 1.00 24.23 H new ATOM 0 HB2 LEU A 37 -3.247 -7.984 8.204 1.00 34.44 H new ATOM 0 HB3 LEU A 37 -4.719 -8.001 7.254 1.00 34.44 H new ATOM 0 HG LEU A 37 -3.612 -5.558 8.696 1.00 54.33 H new ATOM 0 HD11 LEU A 37 -3.013 -4.747 6.427 1.00 44.54 H new ATOM 0 HD12 LEU A 37 -2.148 -6.245 6.846 1.00 44.54 H new ATOM 0 HD13 LEU A 37 -3.543 -6.302 5.742 1.00 44.54 H new ATOM 0 HD21 LEU A 37 -5.264 -4.272 7.375 1.00 51.41 H new ATOM 0 HD22 LEU A 37 -5.925 -5.793 6.730 1.00 51.41 H new ATOM 0 HD23 LEU A 37 -6.047 -5.436 8.470 1.00 51.41 H new ATOM 590 N THR A 38 -5.935 -10.074 10.380 1.00 53.35 N ATOM 591 CA THR A 38 -6.268 -11.543 10.404 1.00 35.43 C ATOM 592 C THR A 38 -7.244 -11.981 9.274 1.00 4.01 C ATOM 593 O THR A 38 -7.042 -13.021 8.645 1.00 42.42 O ATOM 594 CB THR A 38 -6.849 -11.994 11.792 1.00 51.10 C ATOM 595 OG1 THR A 38 -7.217 -13.387 11.758 1.00 22.44 O ATOM 596 CG2 THR A 38 -8.059 -11.149 12.228 1.00 74.03 C ATOM 0 H THR A 38 -6.074 -9.606 11.276 1.00 53.35 H new ATOM 0 HA THR A 38 -5.315 -12.042 10.230 1.00 35.43 H new ATOM 0 HB THR A 38 -6.058 -11.841 12.526 1.00 51.10 H new ATOM 0 HG1 THR A 38 -7.576 -13.652 12.631 1.00 22.44 H new ATOM 0 HG21 THR A 38 -8.421 -11.503 13.193 1.00 74.03 H new ATOM 0 HG22 THR A 38 -7.761 -10.104 12.313 1.00 74.03 H new ATOM 0 HG23 THR A 38 -8.853 -11.241 11.487 1.00 74.03 H new ATOM 604 N SER A 39 -8.277 -11.159 9.018 1.00 14.44 N ATOM 605 CA SER A 39 -9.280 -11.418 7.959 1.00 34.52 C ATOM 606 C SER A 39 -8.687 -11.174 6.553 1.00 51.11 C ATOM 607 O SER A 39 -8.742 -12.052 5.693 1.00 63.03 O ATOM 608 CB SER A 39 -10.533 -10.530 8.166 1.00 41.12 C ATOM 609 OG SER A 39 -11.501 -10.752 7.151 1.00 71.34 O ATOM 0 H SER A 39 -8.444 -10.296 9.536 1.00 14.44 H new ATOM 0 HA SER A 39 -9.572 -12.466 8.030 1.00 34.52 H new ATOM 0 HB2 SER A 39 -10.972 -10.740 9.141 1.00 41.12 H new ATOM 0 HB3 SER A 39 -10.240 -9.480 8.168 1.00 41.12 H new ATOM 0 HG SER A 39 -12.280 -10.179 7.310 1.00 71.34 H new ATOM 615 N ALA A 40 -8.072 -9.989 6.360 1.00 14.31 N ATOM 616 CA ALA A 40 -7.565 -9.531 5.034 1.00 41.45 C ATOM 617 C ALA A 40 -6.426 -10.434 4.493 1.00 33.34 C ATOM 618 O ALA A 40 -6.357 -10.727 3.292 1.00 73.23 O ATOM 619 CB ALA A 40 -7.097 -8.070 5.134 1.00 52.03 C ATOM 0 H ALA A 40 -7.909 -9.319 7.112 1.00 14.31 H new ATOM 0 HA ALA A 40 -8.387 -9.603 4.322 1.00 41.45 H new ATOM 0 HB1 ALA A 40 -6.727 -7.739 4.163 1.00 52.03 H new ATOM 0 HB2 ALA A 40 -7.933 -7.440 5.438 1.00 52.03 H new ATOM 0 HB3 ALA A 40 -6.298 -7.993 5.872 1.00 52.03 H new ATOM 625 N GLU A 41 -5.547 -10.860 5.408 1.00 51.34 N ATOM 626 CA GLU A 41 -4.440 -11.792 5.117 1.00 70.13 C ATOM 627 C GLU A 41 -4.972 -13.199 4.735 1.00 71.40 C ATOM 628 O GLU A 41 -4.464 -13.824 3.801 1.00 73.32 O ATOM 629 CB GLU A 41 -3.492 -11.858 6.347 1.00 44.32 C ATOM 630 CG GLU A 41 -2.132 -12.528 6.076 1.00 0.20 C ATOM 631 CD GLU A 41 -1.147 -12.455 7.262 1.00 3.13 C ATOM 632 OE1 GLU A 41 -0.807 -11.325 7.692 1.00 32.23 O ATOM 633 OE2 GLU A 41 -0.687 -13.522 7.744 1.00 45.11 O ATOM 0 H GLU A 41 -5.581 -10.566 6.384 1.00 51.34 H new ATOM 0 HA GLU A 41 -3.881 -11.424 4.257 1.00 70.13 H new ATOM 0 HB2 GLU A 41 -3.317 -10.845 6.708 1.00 44.32 H new ATOM 0 HB3 GLU A 41 -3.995 -12.400 7.148 1.00 44.32 H new ATOM 0 HG2 GLU A 41 -2.299 -13.574 5.820 1.00 0.20 H new ATOM 0 HG3 GLU A 41 -1.673 -12.056 5.207 1.00 0.20 H new ATOM 640 N SER A 42 -6.016 -13.669 5.457 1.00 64.32 N ATOM 641 CA SER A 42 -6.730 -14.940 5.127 1.00 25.13 C ATOM 642 C SER A 42 -7.409 -14.883 3.743 1.00 32.44 C ATOM 643 O SER A 42 -7.515 -15.907 3.067 1.00 42.32 O ATOM 644 CB SER A 42 -7.793 -15.285 6.195 1.00 4.14 C ATOM 645 OG SER A 42 -7.206 -15.525 7.458 1.00 74.45 O ATOM 0 H SER A 42 -6.389 -13.190 6.276 1.00 64.32 H new ATOM 0 HA SER A 42 -5.968 -15.719 5.110 1.00 25.13 H new ATOM 0 HB2 SER A 42 -8.507 -14.466 6.275 1.00 4.14 H new ATOM 0 HB3 SER A 42 -8.352 -16.166 5.880 1.00 4.14 H new ATOM 0 HG SER A 42 -7.113 -14.678 7.942 1.00 74.45 H new ATOM 651 N LEU A 43 -7.875 -13.680 3.337 1.00 3.52 N ATOM 652 CA LEU A 43 -8.486 -13.461 2.006 1.00 72.54 C ATOM 653 C LEU A 43 -7.442 -13.630 0.870 1.00 24.13 C ATOM 654 O LEU A 43 -7.782 -14.095 -0.219 1.00 13.43 O ATOM 655 CB LEU A 43 -9.151 -12.057 1.933 1.00 24.43 C ATOM 656 CG LEU A 43 -10.331 -11.800 2.931 1.00 75.02 C ATOM 657 CD1 LEU A 43 -10.851 -10.346 2.831 1.00 31.44 C ATOM 658 CD2 LEU A 43 -11.475 -12.825 2.732 1.00 1.02 C ATOM 0 H LEU A 43 -7.839 -12.841 3.916 1.00 3.52 H new ATOM 0 HA LEU A 43 -9.257 -14.218 1.865 1.00 72.54 H new ATOM 0 HB2 LEU A 43 -8.383 -11.304 2.109 1.00 24.43 H new ATOM 0 HB3 LEU A 43 -9.520 -11.905 0.919 1.00 24.43 H new ATOM 0 HG LEU A 43 -9.941 -11.938 3.939 1.00 75.02 H new ATOM 0 HD11 LEU A 43 -11.669 -10.203 3.537 1.00 31.44 H new ATOM 0 HD12 LEU A 43 -10.043 -9.654 3.067 1.00 31.44 H new ATOM 0 HD13 LEU A 43 -11.208 -10.156 1.819 1.00 31.44 H new ATOM 0 HD21 LEU A 43 -12.277 -12.617 3.440 1.00 1.02 H new ATOM 0 HD22 LEU A 43 -11.860 -12.748 1.715 1.00 1.02 H new ATOM 0 HD23 LEU A 43 -11.094 -13.832 2.900 1.00 1.02 H new ATOM 670 N LEU A 44 -6.174 -13.247 1.125 1.00 33.04 N ATOM 671 CA LEU A 44 -5.070 -13.490 0.162 1.00 71.40 C ATOM 672 C LEU A 44 -4.700 -14.998 0.125 1.00 31.44 C ATOM 673 O LEU A 44 -4.565 -15.588 -0.951 1.00 43.14 O ATOM 674 CB LEU A 44 -3.816 -12.632 0.505 1.00 41.34 C ATOM 675 CG LEU A 44 -2.672 -12.661 -0.568 1.00 73.30 C ATOM 676 CD1 LEU A 44 -3.127 -12.015 -1.896 1.00 64.03 C ATOM 677 CD2 LEU A 44 -1.370 -12.011 -0.044 1.00 42.42 C ATOM 0 H LEU A 44 -5.886 -12.772 1.981 1.00 33.04 H new ATOM 0 HA LEU A 44 -5.421 -13.190 -0.826 1.00 71.40 H new ATOM 0 HB2 LEU A 44 -4.131 -11.598 0.649 1.00 41.34 H new ATOM 0 HB3 LEU A 44 -3.409 -12.976 1.456 1.00 41.34 H new ATOM 0 HG LEU A 44 -2.449 -13.709 -0.768 1.00 73.30 H new ATOM 0 HD11 LEU A 44 -2.310 -12.052 -2.617 1.00 64.03 H new ATOM 0 HD12 LEU A 44 -3.985 -12.560 -2.291 1.00 64.03 H new ATOM 0 HD13 LEU A 44 -3.407 -10.977 -1.718 1.00 64.03 H new ATOM 0 HD21 LEU A 44 -0.605 -12.053 -0.819 1.00 42.42 H new ATOM 0 HD22 LEU A 44 -1.563 -10.971 0.220 1.00 42.42 H new ATOM 0 HD23 LEU A 44 -1.023 -12.550 0.838 1.00 42.42 H new ATOM 689 N ARG A 45 -4.578 -15.614 1.318 1.00 13.43 N ATOM 690 CA ARG A 45 -4.212 -17.051 1.464 1.00 75.34 C ATOM 691 C ARG A 45 -5.322 -18.006 0.938 1.00 63.40 C ATOM 692 O ARG A 45 -5.034 -19.143 0.548 1.00 34.21 O ATOM 693 CB ARG A 45 -3.889 -17.369 2.948 1.00 32.11 C ATOM 694 CG ARG A 45 -2.725 -16.535 3.531 1.00 15.11 C ATOM 695 CD ARG A 45 -2.402 -16.869 5.004 1.00 74.22 C ATOM 696 NE ARG A 45 -3.573 -16.724 5.892 1.00 12.11 N ATOM 697 CZ ARG A 45 -3.558 -16.261 7.129 1.00 71.41 C ATOM 698 NH1 ARG A 45 -2.494 -15.740 7.653 1.00 22.51 N ATOM 699 NH2 ARG A 45 -4.644 -16.284 7.820 1.00 22.33 N ATOM 0 H ARG A 45 -4.728 -15.138 2.208 1.00 13.43 H new ATOM 0 HA ARG A 45 -3.327 -17.223 0.851 1.00 75.34 H new ATOM 0 HB2 ARG A 45 -4.782 -17.197 3.549 1.00 32.11 H new ATOM 0 HB3 ARG A 45 -3.644 -18.427 3.037 1.00 32.11 H new ATOM 0 HG2 ARG A 45 -1.833 -16.699 2.926 1.00 15.11 H new ATOM 0 HG3 ARG A 45 -2.973 -15.476 3.453 1.00 15.11 H new ATOM 0 HD2 ARG A 45 -2.028 -17.891 5.067 1.00 74.22 H new ATOM 0 HD3 ARG A 45 -1.603 -16.215 5.354 1.00 74.22 H new ATOM 0 HE ARG A 45 -4.477 -17.008 5.515 1.00 12.11 H new ATOM 0 HH11 ARG A 45 -1.635 -15.678 7.107 1.00 22.51 H new ATOM 0 HH12 ARG A 45 -2.516 -15.392 8.611 1.00 22.51 H new ATOM 0 HH21 ARG A 45 -5.501 -16.656 7.411 1.00 22.33 H new ATOM 0 HH22 ARG A 45 -4.647 -15.930 8.777 1.00 22.33 H new ATOM 713 N GLY A 46 -6.579 -17.528 0.950 1.00 74.01 N ATOM 714 CA GLY A 46 -7.732 -18.293 0.438 1.00 53.24 C ATOM 715 C GLY A 46 -8.065 -18.001 -1.032 1.00 53.53 C ATOM 716 O GLY A 46 -8.989 -18.602 -1.593 1.00 15.23 O ATOM 0 H GLY A 46 -6.824 -16.607 1.312 1.00 74.01 H new ATOM 0 HA2 GLY A 46 -7.528 -19.358 0.550 1.00 53.24 H new ATOM 0 HA3 GLY A 46 -8.606 -18.069 1.050 1.00 53.24 H new ATOM 720 N GLY A 47 -7.300 -17.081 -1.657 1.00 35.15 N ATOM 721 CA GLY A 47 -7.498 -16.706 -3.070 1.00 0.45 C ATOM 722 C GLY A 47 -8.744 -15.852 -3.351 1.00 25.14 C ATOM 723 O GLY A 47 -9.228 -15.819 -4.487 1.00 71.14 O ATOM 0 H GLY A 47 -6.536 -16.583 -1.201 1.00 35.15 H new ATOM 0 HA2 GLY A 47 -6.618 -16.160 -3.411 1.00 0.45 H new ATOM 0 HA3 GLY A 47 -7.559 -17.617 -3.666 1.00 0.45 H new ATOM 727 N GLU A 48 -9.261 -15.165 -2.319 1.00 53.24 N ATOM 728 CA GLU A 48 -10.436 -14.263 -2.444 1.00 21.01 C ATOM 729 C GLU A 48 -10.053 -12.865 -2.997 1.00 12.25 C ATOM 730 O GLU A 48 -10.852 -12.233 -3.700 1.00 13.34 O ATOM 731 CB GLU A 48 -11.111 -14.112 -1.054 1.00 24.11 C ATOM 732 CG GLU A 48 -11.641 -15.426 -0.446 1.00 1.44 C ATOM 733 CD GLU A 48 -12.781 -16.050 -1.271 1.00 41.40 C ATOM 734 OE1 GLU A 48 -13.932 -15.579 -1.156 1.00 20.33 O ATOM 735 OE2 GLU A 48 -12.534 -17.001 -2.041 1.00 2.43 O ATOM 0 H GLU A 48 -8.883 -15.214 -1.373 1.00 53.24 H new ATOM 0 HA GLU A 48 -11.127 -14.712 -3.158 1.00 21.01 H new ATOM 0 HB2 GLU A 48 -10.392 -13.672 -0.363 1.00 24.11 H new ATOM 0 HB3 GLU A 48 -11.939 -13.409 -1.142 1.00 24.11 H new ATOM 0 HG2 GLU A 48 -10.822 -16.141 -0.368 1.00 1.44 H new ATOM 0 HG3 GLU A 48 -11.995 -15.235 0.567 1.00 1.44 H new ATOM 742 N ILE A 49 -8.833 -12.384 -2.669 1.00 24.14 N ATOM 743 CA ILE A 49 -8.294 -11.088 -3.171 1.00 4.11 C ATOM 744 C ILE A 49 -6.917 -11.306 -3.845 1.00 62.13 C ATOM 745 O ILE A 49 -6.253 -12.318 -3.601 1.00 70.43 O ATOM 746 CB ILE A 49 -8.159 -10.005 -2.020 1.00 1.02 C ATOM 747 CG1 ILE A 49 -7.051 -10.391 -0.980 1.00 52.21 C ATOM 748 CG2 ILE A 49 -9.527 -9.766 -1.324 1.00 44.14 C ATOM 749 CD1 ILE A 49 -6.800 -9.362 0.118 1.00 45.23 C ATOM 0 H ILE A 49 -8.191 -12.878 -2.050 1.00 24.14 H new ATOM 0 HA ILE A 49 -9.008 -10.707 -3.901 1.00 4.11 H new ATOM 0 HB ILE A 49 -7.847 -9.070 -2.485 1.00 1.02 H new ATOM 0 HG12 ILE A 49 -7.328 -11.336 -0.513 1.00 52.21 H new ATOM 0 HG13 ILE A 49 -6.117 -10.562 -1.515 1.00 52.21 H new ATOM 0 HG21 ILE A 49 -9.410 -9.020 -0.538 1.00 44.14 H new ATOM 0 HG22 ILE A 49 -10.251 -9.411 -2.057 1.00 44.14 H new ATOM 0 HG23 ILE A 49 -9.881 -10.700 -0.887 1.00 44.14 H new ATOM 0 HD11 ILE A 49 -6.017 -9.724 0.784 1.00 45.23 H new ATOM 0 HD12 ILE A 49 -6.487 -8.420 -0.331 1.00 45.23 H new ATOM 0 HD13 ILE A 49 -7.717 -9.206 0.687 1.00 45.23 H new ATOM 761 N SER A 50 -6.511 -10.355 -4.709 1.00 64.13 N ATOM 762 CA SER A 50 -5.175 -10.361 -5.366 1.00 22.44 C ATOM 763 C SER A 50 -4.165 -9.513 -4.570 1.00 34.43 C ATOM 764 O SER A 50 -4.536 -8.862 -3.584 1.00 33.53 O ATOM 765 CB SER A 50 -5.276 -9.861 -6.829 1.00 74.24 C ATOM 766 OG SER A 50 -6.104 -10.722 -7.595 1.00 15.34 O ATOM 0 H SER A 50 -7.093 -9.561 -4.975 1.00 64.13 H new ATOM 0 HA SER A 50 -4.815 -11.390 -5.382 1.00 22.44 H new ATOM 0 HB2 SER A 50 -5.680 -8.849 -6.846 1.00 74.24 H new ATOM 0 HB3 SER A 50 -4.281 -9.815 -7.273 1.00 74.24 H new ATOM 0 HG SER A 50 -6.158 -10.390 -8.516 1.00 15.34 H new ATOM 772 N VAL A 51 -2.880 -9.557 -4.992 1.00 4.03 N ATOM 773 CA VAL A 51 -1.771 -8.806 -4.335 1.00 50.45 C ATOM 774 C VAL A 51 -2.092 -7.306 -4.218 1.00 73.52 C ATOM 775 O VAL A 51 -1.949 -6.730 -3.153 1.00 12.43 O ATOM 776 CB VAL A 51 -0.426 -8.954 -5.131 1.00 75.34 C ATOM 777 CG1 VAL A 51 0.734 -8.156 -4.466 1.00 62.14 C ATOM 778 CG2 VAL A 51 -0.047 -10.437 -5.299 1.00 34.30 C ATOM 0 H VAL A 51 -2.578 -10.110 -5.794 1.00 4.03 H new ATOM 0 HA VAL A 51 -1.662 -9.237 -3.340 1.00 50.45 H new ATOM 0 HB VAL A 51 -0.587 -8.527 -6.121 1.00 75.34 H new ATOM 0 HG11 VAL A 51 1.646 -8.286 -5.049 1.00 62.14 H new ATOM 0 HG12 VAL A 51 0.474 -7.098 -4.430 1.00 62.14 H new ATOM 0 HG13 VAL A 51 0.895 -8.525 -3.453 1.00 62.14 H new ATOM 0 HG21 VAL A 51 0.888 -10.513 -5.854 1.00 34.30 H new ATOM 0 HG22 VAL A 51 0.075 -10.895 -4.317 1.00 34.30 H new ATOM 0 HG23 VAL A 51 -0.836 -10.954 -5.845 1.00 34.30 H new ATOM 788 N ARG A 52 -2.556 -6.716 -5.332 1.00 75.35 N ATOM 789 CA ARG A 52 -2.980 -5.297 -5.431 1.00 4.14 C ATOM 790 C ARG A 52 -3.968 -4.902 -4.308 1.00 53.52 C ATOM 791 O ARG A 52 -3.823 -3.865 -3.640 1.00 63.13 O ATOM 792 CB ARG A 52 -3.658 -5.111 -6.808 1.00 31.41 C ATOM 793 CG ARG A 52 -4.292 -3.727 -7.073 1.00 54.25 C ATOM 794 CD ARG A 52 -5.256 -3.760 -8.269 1.00 2.34 C ATOM 795 NE ARG A 52 -6.337 -4.747 -8.047 1.00 43.04 N ATOM 796 CZ ARG A 52 -7.509 -4.751 -8.645 1.00 44.15 C ATOM 797 NH1 ARG A 52 -7.788 -3.912 -9.589 1.00 33.45 N ATOM 798 NH2 ARG A 52 -8.390 -5.624 -8.296 1.00 12.25 N ATOM 0 H ARG A 52 -2.652 -7.219 -6.214 1.00 75.35 H new ATOM 0 HA ARG A 52 -2.105 -4.656 -5.323 1.00 4.14 H new ATOM 0 HB2 ARG A 52 -2.917 -5.303 -7.584 1.00 31.41 H new ATOM 0 HB3 ARG A 52 -4.434 -5.869 -6.914 1.00 31.41 H new ATOM 0 HG2 ARG A 52 -4.828 -3.396 -6.183 1.00 54.25 H new ATOM 0 HG3 ARG A 52 -3.505 -2.997 -7.261 1.00 54.25 H new ATOM 0 HD2 ARG A 52 -5.687 -2.770 -8.422 1.00 2.34 H new ATOM 0 HD3 ARG A 52 -4.708 -4.013 -9.177 1.00 2.34 H new ATOM 0 HE ARG A 52 -6.157 -5.489 -7.371 1.00 43.04 H new ATOM 0 HH11 ARG A 52 -7.092 -3.227 -9.885 1.00 33.45 H new ATOM 0 HH12 ARG A 52 -8.704 -3.935 -10.037 1.00 33.45 H new ATOM 0 HH21 ARG A 52 -8.175 -6.301 -7.564 1.00 12.25 H new ATOM 0 HH22 ARG A 52 -9.302 -5.638 -8.752 1.00 12.25 H new ATOM 812 N ASP A 53 -4.963 -5.771 -4.125 1.00 32.12 N ATOM 813 CA ASP A 53 -6.045 -5.597 -3.151 1.00 24.33 C ATOM 814 C ASP A 53 -5.546 -5.829 -1.702 1.00 65.13 C ATOM 815 O ASP A 53 -6.130 -5.312 -0.745 1.00 73.33 O ATOM 816 CB ASP A 53 -7.189 -6.567 -3.518 1.00 50.31 C ATOM 817 CG ASP A 53 -7.632 -6.406 -4.984 1.00 45.53 C ATOM 818 OD1 ASP A 53 -7.025 -7.043 -5.877 1.00 74.43 O ATOM 819 OD2 ASP A 53 -8.554 -5.612 -5.255 1.00 40.32 O ATOM 0 H ASP A 53 -5.042 -6.635 -4.661 1.00 32.12 H new ATOM 0 HA ASP A 53 -6.410 -4.571 -3.189 1.00 24.33 H new ATOM 0 HB2 ASP A 53 -6.863 -7.593 -3.348 1.00 50.31 H new ATOM 0 HB3 ASP A 53 -8.040 -6.390 -2.860 1.00 50.31 H new ATOM 824 N PHE A 54 -4.478 -6.630 -1.556 1.00 34.14 N ATOM 825 CA PHE A 54 -3.785 -6.822 -0.264 1.00 30.44 C ATOM 826 C PHE A 54 -2.868 -5.609 0.093 1.00 10.54 C ATOM 827 O PHE A 54 -2.771 -5.236 1.262 1.00 63.32 O ATOM 828 CB PHE A 54 -2.981 -8.149 -0.279 1.00 2.01 C ATOM 829 CG PHE A 54 -2.375 -8.521 1.077 1.00 73.53 C ATOM 830 CD1 PHE A 54 -3.199 -8.810 2.168 1.00 44.03 C ATOM 831 CD2 PHE A 54 -0.992 -8.579 1.268 1.00 10.41 C ATOM 832 CE1 PHE A 54 -2.660 -9.140 3.396 1.00 73.24 C ATOM 833 CE2 PHE A 54 -0.455 -8.913 2.498 1.00 32.21 C ATOM 834 CZ PHE A 54 -1.291 -9.193 3.563 1.00 64.23 C ATOM 0 H PHE A 54 -4.069 -7.162 -2.324 1.00 34.14 H new ATOM 0 HA PHE A 54 -4.544 -6.883 0.516 1.00 30.44 H new ATOM 0 HB2 PHE A 54 -3.636 -8.956 -0.607 1.00 2.01 H new ATOM 0 HB3 PHE A 54 -2.180 -8.069 -1.014 1.00 2.01 H new ATOM 0 HD1 PHE A 54 -4.272 -8.775 2.049 1.00 44.03 H new ATOM 0 HD2 PHE A 54 -0.332 -8.360 0.442 1.00 10.41 H new ATOM 0 HE1 PHE A 54 -3.312 -9.357 4.229 1.00 73.24 H new ATOM 0 HE2 PHE A 54 0.617 -8.955 2.626 1.00 32.21 H new ATOM 0 HZ PHE A 54 -0.873 -9.453 4.524 1.00 64.23 H new ATOM 844 N VAL A 55 -2.203 -5.004 -0.928 1.00 53.33 N ATOM 845 CA VAL A 55 -1.276 -3.846 -0.741 1.00 2.22 C ATOM 846 C VAL A 55 -2.011 -2.642 -0.123 1.00 23.22 C ATOM 847 O VAL A 55 -1.509 -2.012 0.828 1.00 50.44 O ATOM 848 CB VAL A 55 -0.576 -3.417 -2.097 1.00 54.22 C ATOM 849 CG1 VAL A 55 0.295 -2.139 -1.924 1.00 55.33 C ATOM 850 CG2 VAL A 55 0.280 -4.569 -2.678 1.00 42.34 C ATOM 0 H VAL A 55 -2.291 -5.301 -1.900 1.00 53.33 H new ATOM 0 HA VAL A 55 -0.497 -4.176 -0.053 1.00 2.22 H new ATOM 0 HB VAL A 55 -1.375 -3.187 -2.801 1.00 54.22 H new ATOM 0 HG11 VAL A 55 0.756 -1.881 -2.877 1.00 55.33 H new ATOM 0 HG12 VAL A 55 -0.333 -1.313 -1.589 1.00 55.33 H new ATOM 0 HG13 VAL A 55 1.073 -2.326 -1.184 1.00 55.33 H new ATOM 0 HG21 VAL A 55 0.746 -4.243 -3.608 1.00 42.34 H new ATOM 0 HG22 VAL A 55 1.053 -4.845 -1.961 1.00 42.34 H new ATOM 0 HG23 VAL A 55 -0.356 -5.432 -2.875 1.00 42.34 H new ATOM 860 N ARG A 56 -3.217 -2.347 -0.655 1.00 52.42 N ATOM 861 CA ARG A 56 -4.088 -1.316 -0.068 1.00 1.21 C ATOM 862 C ARG A 56 -4.507 -1.702 1.356 1.00 72.13 C ATOM 863 O ARG A 56 -4.435 -0.874 2.219 1.00 63.11 O ATOM 864 CB ARG A 56 -5.331 -1.001 -0.935 1.00 32.44 C ATOM 865 CG ARG A 56 -6.237 -2.195 -1.275 1.00 73.23 C ATOM 866 CD ARG A 56 -7.394 -1.807 -2.213 1.00 40.34 C ATOM 867 NE ARG A 56 -8.271 -2.950 -2.525 1.00 53.15 N ATOM 868 CZ ARG A 56 -9.442 -2.866 -3.114 1.00 32.41 C ATOM 869 NH1 ARG A 56 -9.955 -1.724 -3.453 1.00 75.44 N ATOM 870 NH2 ARG A 56 -10.103 -3.941 -3.360 1.00 11.42 N ATOM 0 H ARG A 56 -3.603 -2.805 -1.481 1.00 52.42 H new ATOM 0 HA ARG A 56 -3.496 -0.401 -0.031 1.00 1.21 H new ATOM 0 HB2 ARG A 56 -5.930 -0.252 -0.417 1.00 32.44 H new ATOM 0 HB3 ARG A 56 -4.993 -0.550 -1.868 1.00 32.44 H new ATOM 0 HG2 ARG A 56 -5.641 -2.978 -1.743 1.00 73.23 H new ATOM 0 HG3 ARG A 56 -6.644 -2.612 -0.354 1.00 73.23 H new ATOM 0 HD2 ARG A 56 -7.984 -1.016 -1.750 1.00 40.34 H new ATOM 0 HD3 ARG A 56 -6.987 -1.401 -3.139 1.00 40.34 H new ATOM 0 HE ARG A 56 -7.943 -3.879 -2.263 1.00 53.15 H new ATOM 0 HH11 ARG A 56 -9.447 -0.860 -3.263 1.00 75.44 H new ATOM 0 HH12 ARG A 56 -10.867 -1.690 -3.909 1.00 75.44 H new ATOM 0 HH21 ARG A 56 -9.717 -4.848 -3.098 1.00 11.42 H new ATOM 0 HH22 ARG A 56 -11.013 -3.887 -3.817 1.00 11.42 H new ATOM 884 N ALA A 57 -4.878 -2.979 1.596 1.00 4.04 N ATOM 885 CA ALA A 57 -5.317 -3.455 2.941 1.00 74.23 C ATOM 886 C ALA A 57 -4.237 -3.210 4.037 1.00 31.10 C ATOM 887 O ALA A 57 -4.562 -2.847 5.175 1.00 44.44 O ATOM 888 CB ALA A 57 -5.687 -4.943 2.877 1.00 71.23 C ATOM 0 H ALA A 57 -4.885 -3.705 0.879 1.00 4.04 H new ATOM 0 HA ALA A 57 -6.195 -2.874 3.223 1.00 74.23 H new ATOM 0 HB1 ALA A 57 -6.006 -5.281 3.863 1.00 71.23 H new ATOM 0 HB2 ALA A 57 -6.499 -5.086 2.164 1.00 71.23 H new ATOM 0 HB3 ALA A 57 -4.819 -5.520 2.559 1.00 71.23 H new ATOM 894 N VAL A 58 -2.953 -3.391 3.665 1.00 24.41 N ATOM 895 CA VAL A 58 -1.803 -3.164 4.573 1.00 25.11 C ATOM 896 C VAL A 58 -1.568 -1.653 4.825 1.00 14.01 C ATOM 897 O VAL A 58 -1.236 -1.248 5.943 1.00 13.23 O ATOM 898 CB VAL A 58 -0.495 -3.855 4.020 1.00 14.13 C ATOM 899 CG1 VAL A 58 0.719 -3.636 4.961 1.00 21.44 C ATOM 900 CG2 VAL A 58 -0.728 -5.370 3.789 1.00 42.43 C ATOM 0 H VAL A 58 -2.682 -3.697 2.731 1.00 24.41 H new ATOM 0 HA VAL A 58 -2.047 -3.624 5.530 1.00 25.11 H new ATOM 0 HB VAL A 58 -0.263 -3.384 3.065 1.00 14.13 H new ATOM 0 HG11 VAL A 58 1.597 -4.128 4.543 1.00 21.44 H new ATOM 0 HG12 VAL A 58 0.914 -2.568 5.061 1.00 21.44 H new ATOM 0 HG13 VAL A 58 0.500 -4.058 5.942 1.00 21.44 H new ATOM 0 HG21 VAL A 58 0.186 -5.825 3.408 1.00 42.43 H new ATOM 0 HG22 VAL A 58 -1.004 -5.844 4.731 1.00 42.43 H new ATOM 0 HG23 VAL A 58 -1.531 -5.508 3.065 1.00 42.43 H new ATOM 910 N ALA A 59 -1.724 -0.837 3.772 1.00 75.41 N ATOM 911 CA ALA A 59 -1.604 0.640 3.863 1.00 12.15 C ATOM 912 C ALA A 59 -2.881 1.335 4.436 1.00 30.13 C ATOM 913 O ALA A 59 -2.813 2.470 4.903 1.00 64.23 O ATOM 914 CB ALA A 59 -1.224 1.197 2.486 1.00 4.51 C ATOM 0 H ALA A 59 -1.936 -1.173 2.833 1.00 75.41 H new ATOM 0 HA ALA A 59 -0.816 0.866 4.581 1.00 12.15 H new ATOM 0 HB1 ALA A 59 -1.134 2.282 2.544 1.00 4.51 H new ATOM 0 HB2 ALA A 59 -0.272 0.770 2.171 1.00 4.51 H new ATOM 0 HB3 ALA A 59 -1.996 0.936 1.762 1.00 4.51 H new ATOM 920 N LEU A 60 -4.037 0.644 4.390 1.00 14.51 N ATOM 921 CA LEU A 60 -5.335 1.140 4.945 1.00 12.43 C ATOM 922 C LEU A 60 -5.481 0.778 6.430 1.00 64.41 C ATOM 923 O LEU A 60 -6.269 1.407 7.146 1.00 33.01 O ATOM 924 CB LEU A 60 -6.549 0.547 4.158 1.00 5.53 C ATOM 925 CG LEU A 60 -6.762 1.078 2.708 1.00 14.51 C ATOM 926 CD1 LEU A 60 -7.938 0.362 2.003 1.00 33.24 C ATOM 927 CD2 LEU A 60 -6.950 2.599 2.712 1.00 5.35 C ATOM 0 H LEU A 60 -4.108 -0.281 3.966 1.00 14.51 H new ATOM 0 HA LEU A 60 -5.330 2.225 4.839 1.00 12.43 H new ATOM 0 HB2 LEU A 60 -6.430 -0.535 4.111 1.00 5.53 H new ATOM 0 HB3 LEU A 60 -7.456 0.743 4.730 1.00 5.53 H new ATOM 0 HG LEU A 60 -5.864 0.851 2.134 1.00 14.51 H new ATOM 0 HD11 LEU A 60 -8.054 0.760 0.995 1.00 33.24 H new ATOM 0 HD12 LEU A 60 -7.734 -0.707 1.950 1.00 33.24 H new ATOM 0 HD13 LEU A 60 -8.856 0.528 2.567 1.00 33.24 H new ATOM 0 HD21 LEU A 60 -7.097 2.950 1.691 1.00 5.35 H new ATOM 0 HD22 LEU A 60 -7.822 2.856 3.313 1.00 5.35 H new ATOM 0 HD23 LEU A 60 -6.065 3.074 3.135 1.00 5.35 H new ATOM 939 N SER A 61 -4.739 -0.268 6.864 1.00 73.42 N ATOM 940 CA SER A 61 -4.776 -0.781 8.252 1.00 61.15 C ATOM 941 C SER A 61 -4.522 0.334 9.282 1.00 45.33 C ATOM 942 O SER A 61 -3.712 1.238 9.045 1.00 41.25 O ATOM 943 CB SER A 61 -3.713 -1.886 8.448 1.00 64.20 C ATOM 944 OG SER A 61 -2.399 -1.349 8.427 1.00 62.35 O ATOM 0 H SER A 61 -4.097 -0.780 6.259 1.00 73.42 H new ATOM 0 HA SER A 61 -5.775 -1.186 8.413 1.00 61.15 H new ATOM 0 HB2 SER A 61 -3.885 -2.394 9.397 1.00 64.20 H new ATOM 0 HB3 SER A 61 -3.815 -2.634 7.662 1.00 64.20 H new ATOM 0 HG SER A 61 -2.060 -1.351 7.508 1.00 62.35 H new ATOM 950 N GLU A 62 -5.193 0.231 10.437 1.00 10.33 N ATOM 951 CA GLU A 62 -5.060 1.202 11.538 1.00 41.42 C ATOM 952 C GLU A 62 -3.648 1.132 12.175 1.00 74.41 C ATOM 953 O GLU A 62 -3.191 2.077 12.807 1.00 33.52 O ATOM 954 CB GLU A 62 -6.181 0.973 12.577 1.00 0.45 C ATOM 955 CG GLU A 62 -6.324 2.083 13.637 1.00 71.23 C ATOM 956 CD GLU A 62 -7.642 1.990 14.425 1.00 14.21 C ATOM 957 OE1 GLU A 62 -8.667 2.534 13.956 1.00 22.35 O ATOM 958 OE2 GLU A 62 -7.666 1.364 15.508 1.00 0.32 O ATOM 0 H GLU A 62 -5.845 -0.528 10.637 1.00 10.33 H new ATOM 0 HA GLU A 62 -5.173 2.211 11.140 1.00 41.42 H new ATOM 0 HB2 GLU A 62 -7.129 0.871 12.049 1.00 0.45 H new ATOM 0 HB3 GLU A 62 -5.996 0.027 13.086 1.00 0.45 H new ATOM 0 HG2 GLU A 62 -5.486 2.025 14.332 1.00 71.23 H new ATOM 0 HG3 GLU A 62 -6.266 3.055 13.148 1.00 71.23 H new ATOM 965 N LEU A 63 -2.989 -0.027 12.016 1.00 34.32 N ATOM 966 CA LEU A 63 -1.602 -0.257 12.476 1.00 52.02 C ATOM 967 C LEU A 63 -0.583 0.568 11.649 1.00 72.31 C ATOM 968 O LEU A 63 0.368 1.114 12.208 1.00 53.13 O ATOM 969 CB LEU A 63 -1.256 -1.770 12.414 1.00 31.21 C ATOM 970 CG LEU A 63 -1.962 -2.700 13.459 1.00 53.42 C ATOM 971 CD1 LEU A 63 -1.616 -2.294 14.901 1.00 22.54 C ATOM 972 CD2 LEU A 63 -3.491 -2.773 13.237 1.00 32.52 C ATOM 0 H LEU A 63 -3.404 -0.840 11.561 1.00 34.32 H new ATOM 0 HA LEU A 63 -1.535 0.078 13.511 1.00 52.02 H new ATOM 0 HB2 LEU A 63 -1.500 -2.134 11.416 1.00 31.21 H new ATOM 0 HB3 LEU A 63 -0.178 -1.877 12.537 1.00 31.21 H new ATOM 0 HG LEU A 63 -1.574 -3.706 13.301 1.00 53.42 H new ATOM 0 HD11 LEU A 63 -2.123 -2.961 15.598 1.00 22.54 H new ATOM 0 HD12 LEU A 63 -0.539 -2.364 15.050 1.00 22.54 H new ATOM 0 HD13 LEU A 63 -1.941 -1.269 15.078 1.00 22.54 H new ATOM 0 HD21 LEU A 63 -3.936 -3.429 13.985 1.00 32.52 H new ATOM 0 HD22 LEU A 63 -3.920 -1.775 13.328 1.00 32.52 H new ATOM 0 HD23 LEU A 63 -3.696 -3.166 12.241 1.00 32.52 H new ATOM 984 N TYR A 64 -0.782 0.648 10.313 1.00 21.44 N ATOM 985 CA TYR A 64 0.042 1.528 9.438 1.00 64.15 C ATOM 986 C TYR A 64 -0.330 3.012 9.683 1.00 63.44 C ATOM 987 O TYR A 64 0.542 3.883 9.774 1.00 62.52 O ATOM 988 CB TYR A 64 -0.152 1.162 7.937 1.00 40.43 C ATOM 989 CG TYR A 64 0.709 1.995 6.958 1.00 4.22 C ATOM 990 CD1 TYR A 64 2.083 1.788 6.859 1.00 35.34 C ATOM 991 CD2 TYR A 64 0.155 2.999 6.153 1.00 24.30 C ATOM 992 CE1 TYR A 64 2.865 2.536 6.000 1.00 51.01 C ATOM 993 CE2 TYR A 64 0.937 3.751 5.291 1.00 53.54 C ATOM 994 CZ TYR A 64 2.294 3.516 5.220 1.00 11.52 C ATOM 995 OH TYR A 64 3.083 4.262 4.362 1.00 3.15 O ATOM 0 H TYR A 64 -1.499 0.120 9.816 1.00 21.44 H new ATOM 0 HA TYR A 64 1.092 1.377 9.688 1.00 64.15 H new ATOM 0 HB2 TYR A 64 0.083 0.106 7.800 1.00 40.43 H new ATOM 0 HB3 TYR A 64 -1.203 1.291 7.677 1.00 40.43 H new ATOM 0 HD1 TYR A 64 2.547 1.026 7.467 1.00 35.34 H new ATOM 0 HD2 TYR A 64 -0.906 3.191 6.206 1.00 24.30 H new ATOM 0 HE1 TYR A 64 3.927 2.351 5.940 1.00 51.01 H new ATOM 0 HE2 TYR A 64 0.486 4.517 4.678 1.00 53.54 H new ATOM 0 HH TYR A 64 2.576 5.037 4.042 1.00 3.15 H new ATOM 1005 N ARG A 65 -1.642 3.256 9.816 1.00 41.12 N ATOM 1006 CA ARG A 65 -2.226 4.596 10.022 1.00 62.45 C ATOM 1007 C ARG A 65 -1.703 5.259 11.319 1.00 42.52 C ATOM 1008 O ARG A 65 -1.274 6.393 11.312 1.00 44.31 O ATOM 1009 CB ARG A 65 -3.772 4.467 10.082 1.00 34.34 C ATOM 1010 CG ARG A 65 -4.558 5.799 10.022 1.00 51.05 C ATOM 1011 CD ARG A 65 -6.067 5.596 10.252 1.00 63.11 C ATOM 1012 NE ARG A 65 -6.628 4.510 9.422 1.00 24.53 N ATOM 1013 CZ ARG A 65 -7.505 3.612 9.830 1.00 11.43 C ATOM 1014 NH1 ARG A 65 -7.950 3.615 11.048 1.00 42.32 N ATOM 1015 NH2 ARG A 65 -7.920 2.702 9.016 1.00 51.52 N ATOM 0 H ARG A 65 -2.343 2.516 9.783 1.00 41.12 H new ATOM 0 HA ARG A 65 -1.929 5.232 9.188 1.00 62.45 H new ATOM 0 HB2 ARG A 65 -4.098 3.836 9.255 1.00 34.34 H new ATOM 0 HB3 ARG A 65 -4.040 3.949 11.003 1.00 34.34 H new ATOM 0 HG2 ARG A 65 -4.167 6.484 10.774 1.00 51.05 H new ATOM 0 HG3 ARG A 65 -4.400 6.268 9.051 1.00 51.05 H new ATOM 0 HD2 ARG A 65 -6.243 5.372 11.304 1.00 63.11 H new ATOM 0 HD3 ARG A 65 -6.592 6.525 10.031 1.00 63.11 H new ATOM 0 HE ARG A 65 -6.312 4.449 8.454 1.00 24.53 H new ATOM 0 HH11 ARG A 65 -7.622 4.319 11.709 1.00 42.32 H new ATOM 0 HH12 ARG A 65 -8.628 2.913 11.345 1.00 42.32 H new ATOM 0 HH21 ARG A 65 -7.570 2.677 8.058 1.00 51.52 H new ATOM 0 HH22 ARG A 65 -8.598 2.007 9.330 1.00 51.52 H new ATOM 1029 N GLU A 66 -1.740 4.528 12.432 1.00 33.03 N ATOM 1030 CA GLU A 66 -1.353 5.071 13.751 1.00 15.20 C ATOM 1031 C GLU A 66 0.186 5.164 13.928 1.00 1.11 C ATOM 1032 O GLU A 66 0.703 6.188 14.388 1.00 4.33 O ATOM 1033 CB GLU A 66 -2.015 4.238 14.875 1.00 24.41 C ATOM 1034 CG GLU A 66 -1.708 4.727 16.305 1.00 45.44 C ATOM 1035 CD GLU A 66 -2.766 4.292 17.330 1.00 35.32 C ATOM 1036 OE1 GLU A 66 -2.676 3.165 17.857 1.00 1.11 O ATOM 1037 OE2 GLU A 66 -3.696 5.085 17.608 1.00 54.22 O ATOM 0 H GLU A 66 -2.035 3.552 12.455 1.00 33.03 H new ATOM 0 HA GLU A 66 -1.719 6.096 13.814 1.00 15.20 H new ATOM 0 HB2 GLU A 66 -3.095 4.246 14.727 1.00 24.41 H new ATOM 0 HB3 GLU A 66 -1.688 3.202 14.782 1.00 24.41 H new ATOM 0 HG2 GLU A 66 -0.734 4.345 16.612 1.00 45.44 H new ATOM 0 HG3 GLU A 66 -1.638 5.815 16.303 1.00 45.44 H new ATOM 1044 N LYS A 67 0.915 4.102 13.539 1.00 22.44 N ATOM 1045 CA LYS A 67 2.389 4.037 13.714 1.00 71.21 C ATOM 1046 C LYS A 67 3.114 5.075 12.801 1.00 54.45 C ATOM 1047 O LYS A 67 4.145 5.630 13.187 1.00 25.21 O ATOM 1048 CB LYS A 67 2.878 2.569 13.460 1.00 53.04 C ATOM 1049 CG LYS A 67 4.346 2.230 13.882 1.00 35.21 C ATOM 1050 CD LYS A 67 5.398 2.514 12.779 1.00 71.51 C ATOM 1051 CE LYS A 67 6.832 2.134 13.187 1.00 35.15 C ATOM 1052 NZ LYS A 67 7.310 2.926 14.346 1.00 44.33 N ATOM 0 H LYS A 67 0.513 3.274 13.101 1.00 22.44 H new ATOM 0 HA LYS A 67 2.645 4.307 14.739 1.00 71.21 H new ATOM 0 HB2 LYS A 67 2.208 1.892 13.989 1.00 53.04 H new ATOM 0 HB3 LYS A 67 2.773 2.355 12.396 1.00 53.04 H new ATOM 0 HG2 LYS A 67 4.601 2.807 14.771 1.00 35.21 H new ATOM 0 HG3 LYS A 67 4.400 1.177 14.160 1.00 35.21 H new ATOM 0 HD2 LYS A 67 5.127 1.963 11.879 1.00 71.51 H new ATOM 0 HD3 LYS A 67 5.370 3.574 12.525 1.00 71.51 H new ATOM 0 HE2 LYS A 67 6.869 1.073 13.433 1.00 35.15 H new ATOM 0 HE3 LYS A 67 7.502 2.289 12.341 1.00 35.15 H new ATOM 0 HZ1 LYS A 67 8.302 2.686 14.545 1.00 44.33 H new ATOM 0 HZ2 LYS A 67 7.236 3.940 14.128 1.00 44.33 H new ATOM 0 HZ3 LYS A 67 6.728 2.708 15.180 1.00 44.33 H new ATOM 1066 N PHE A 68 2.569 5.336 11.595 1.00 32.14 N ATOM 1067 CA PHE A 68 3.208 6.267 10.618 1.00 34.21 C ATOM 1068 C PHE A 68 2.538 7.672 10.535 1.00 13.33 C ATOM 1069 O PHE A 68 3.204 8.629 10.143 1.00 14.33 O ATOM 1070 CB PHE A 68 3.237 5.604 9.214 1.00 3.00 C ATOM 1071 CG PHE A 68 4.149 4.379 9.106 1.00 30.31 C ATOM 1072 CD1 PHE A 68 3.724 3.121 9.530 1.00 52.14 C ATOM 1073 CD2 PHE A 68 5.433 4.486 8.573 1.00 11.40 C ATOM 1074 CE1 PHE A 68 4.549 2.019 9.424 1.00 10.45 C ATOM 1075 CE2 PHE A 68 6.258 3.385 8.470 1.00 71.25 C ATOM 1076 CZ PHE A 68 5.816 2.153 8.895 1.00 41.42 C ATOM 0 H PHE A 68 1.695 4.923 11.268 1.00 32.14 H new ATOM 0 HA PHE A 68 4.219 6.447 10.983 1.00 34.21 H new ATOM 0 HB2 PHE A 68 2.223 5.310 8.944 1.00 3.00 H new ATOM 0 HB3 PHE A 68 3.559 6.346 8.483 1.00 3.00 H new ATOM 0 HD1 PHE A 68 2.735 3.007 9.948 1.00 52.14 H new ATOM 0 HD2 PHE A 68 5.788 5.448 8.235 1.00 11.40 H new ATOM 0 HE1 PHE A 68 4.202 1.051 9.755 1.00 10.45 H new ATOM 0 HE2 PHE A 68 7.250 3.490 8.056 1.00 71.25 H new ATOM 0 HZ PHE A 68 6.461 1.291 8.814 1.00 41.42 H new ATOM 1086 N PHE A 69 1.224 7.802 10.817 1.00 51.21 N ATOM 1087 CA PHE A 69 0.549 9.142 10.858 1.00 13.42 C ATOM 1088 C PHE A 69 0.459 9.762 12.291 1.00 2.52 C ATOM 1089 O PHE A 69 0.555 10.981 12.436 1.00 30.11 O ATOM 1090 CB PHE A 69 -0.844 9.100 10.162 1.00 40.42 C ATOM 1091 CG PHE A 69 -1.613 10.422 10.189 1.00 30.14 C ATOM 1092 CD1 PHE A 69 -1.111 11.557 9.551 1.00 41.25 C ATOM 1093 CD2 PHE A 69 -2.825 10.538 10.875 1.00 74.10 C ATOM 1094 CE1 PHE A 69 -1.794 12.754 9.599 1.00 64.13 C ATOM 1095 CE2 PHE A 69 -3.506 11.737 10.916 1.00 0.31 C ATOM 1096 CZ PHE A 69 -2.986 12.847 10.280 1.00 45.12 C ATOM 0 H PHE A 69 0.607 7.015 11.019 1.00 51.21 H new ATOM 0 HA PHE A 69 1.193 9.814 10.291 1.00 13.42 H new ATOM 0 HB2 PHE A 69 -0.707 8.796 9.124 1.00 40.42 H new ATOM 0 HB3 PHE A 69 -1.451 8.332 10.641 1.00 40.42 H new ATOM 0 HD1 PHE A 69 -0.176 11.497 9.013 1.00 41.25 H new ATOM 0 HD2 PHE A 69 -3.235 9.676 11.381 1.00 74.10 H new ATOM 0 HE1 PHE A 69 -1.391 13.623 9.100 1.00 64.13 H new ATOM 0 HE2 PHE A 69 -4.445 11.808 11.445 1.00 0.31 H new ATOM 0 HZ PHE A 69 -3.515 13.788 10.317 1.00 45.12 H new ATOM 1106 N HIS A 70 0.221 8.950 13.351 1.00 42.30 N ATOM 1107 CA HIS A 70 0.057 9.498 14.745 1.00 32.32 C ATOM 1108 C HIS A 70 1.414 9.635 15.478 1.00 32.12 C ATOM 1109 O HIS A 70 1.621 10.599 16.226 1.00 70.54 O ATOM 1110 CB HIS A 70 -0.898 8.621 15.603 1.00 34.03 C ATOM 1111 CG HIS A 70 -2.321 8.542 15.122 1.00 35.02 C ATOM 1112 ND1 HIS A 70 -3.243 7.670 15.668 1.00 65.34 N ATOM 1113 CD2 HIS A 70 -2.992 9.226 14.163 1.00 12.33 C ATOM 1114 CE1 HIS A 70 -4.399 7.816 15.072 1.00 20.33 C ATOM 1115 NE2 HIS A 70 -4.280 8.755 14.159 1.00 41.20 N ATOM 0 H HIS A 70 0.138 7.936 13.284 1.00 42.30 H new ATOM 0 HA HIS A 70 -0.381 10.489 14.627 1.00 32.32 H new ATOM 0 HB2 HIS A 70 -0.492 7.610 15.647 1.00 34.03 H new ATOM 0 HB3 HIS A 70 -0.899 9.008 16.622 1.00 34.03 H new ATOM 0 HD2 HIS A 70 -2.588 9.997 13.523 1.00 12.33 H new ATOM 0 HE1 HIS A 70 -5.298 7.260 15.293 1.00 20.33 H new ATOM 0 HE2 HIS A 70 -5.027 9.081 13.546 1.00 41.20 H new ATOM 1124 N ASN A 71 2.326 8.672 15.266 1.00 21.53 N ATOM 1125 CA ASN A 71 3.684 8.684 15.887 1.00 64.44 C ATOM 1126 C ASN A 71 4.677 9.568 15.070 1.00 23.52 C ATOM 1127 O ASN A 71 5.734 9.968 15.566 1.00 33.52 O ATOM 1128 CB ASN A 71 4.194 7.220 16.017 1.00 30.41 C ATOM 1129 CG ASN A 71 5.532 7.088 16.756 1.00 1.34 C ATOM 1130 OD1 ASN A 71 6.599 7.088 16.148 1.00 75.32 O ATOM 1131 ND2 ASN A 71 5.489 6.982 18.072 1.00 20.31 N ATOM 0 H ASN A 71 2.156 7.865 14.666 1.00 21.53 H new ATOM 0 HA ASN A 71 3.620 9.128 16.880 1.00 64.44 H new ATOM 0 HB2 ASN A 71 3.442 6.629 16.540 1.00 30.41 H new ATOM 0 HB3 ASN A 71 4.298 6.793 15.020 1.00 30.41 H new ATOM 0 HD21 ASN A 71 6.354 6.898 18.605 1.00 20.31 H new ATOM 0 HD22 ASN A 71 4.590 6.984 18.555 1.00 20.31 H new ATOM 1138 N ASN A 72 4.300 9.885 13.825 1.00 14.25 N ATOM 1139 CA ASN A 72 5.127 10.673 12.877 1.00 61.51 C ATOM 1140 C ASN A 72 4.293 11.848 12.284 1.00 12.11 C ATOM 1141 O ASN A 72 3.070 11.774 12.229 1.00 41.42 O ATOM 1142 CB ASN A 72 5.631 9.716 11.766 1.00 62.33 C ATOM 1143 CG ASN A 72 6.373 10.402 10.624 1.00 43.13 C ATOM 1144 OD1 ASN A 72 7.190 11.292 10.842 1.00 53.52 O ATOM 1145 ND2 ASN A 72 6.041 10.040 9.397 1.00 0.22 N ATOM 0 H ASN A 72 3.401 9.602 13.434 1.00 14.25 H new ATOM 0 HA ASN A 72 5.983 11.113 13.389 1.00 61.51 H new ATOM 0 HB2 ASN A 72 6.290 8.974 12.216 1.00 62.33 H new ATOM 0 HB3 ASN A 72 4.778 9.177 11.355 1.00 62.33 H new ATOM 0 HD21 ASN A 72 6.468 10.504 8.595 1.00 0.22 H new ATOM 0 HD22 ASN A 72 5.358 9.296 9.252 1.00 0.22 H new ATOM 1152 N ALA A 73 4.973 12.926 11.839 1.00 35.14 N ATOM 1153 CA ALA A 73 4.317 14.141 11.280 1.00 41.22 C ATOM 1154 C ALA A 73 3.781 13.925 9.833 1.00 44.54 C ATOM 1155 O ALA A 73 4.433 13.263 9.022 1.00 52.24 O ATOM 1156 CB ALA A 73 5.286 15.328 11.341 1.00 2.41 C ATOM 0 H ALA A 73 5.991 12.985 11.854 1.00 35.14 H new ATOM 0 HA ALA A 73 3.444 14.357 11.896 1.00 41.22 H new ATOM 0 HB1 ALA A 73 4.802 16.214 10.931 1.00 2.41 H new ATOM 0 HB2 ALA A 73 5.568 15.515 12.377 1.00 2.41 H new ATOM 0 HB3 ALA A 73 6.178 15.100 10.758 1.00 2.41 H new ATOM 1162 N HIS A 74 2.583 14.500 9.545 1.00 72.12 N ATOM 1163 CA HIS A 74 1.825 14.311 8.267 1.00 43.15 C ATOM 1164 C HIS A 74 2.678 14.505 6.980 1.00 75.14 C ATOM 1165 O HIS A 74 2.572 13.704 6.051 1.00 32.22 O ATOM 1166 CB HIS A 74 0.607 15.272 8.238 1.00 30.42 C ATOM 1167 CG HIS A 74 -0.293 15.154 7.015 1.00 14.40 C ATOM 1168 ND1 HIS A 74 -0.750 16.270 6.356 1.00 55.45 N ATOM 1169 CD2 HIS A 74 -0.815 14.050 6.409 1.00 64.43 C ATOM 1170 CE1 HIS A 74 -1.528 15.829 5.383 1.00 3.51 C ATOM 1171 NE2 HIS A 74 -1.596 14.494 5.376 1.00 5.24 N ATOM 0 H HIS A 74 2.105 15.118 10.201 1.00 72.12 H new ATOM 0 HA HIS A 74 1.503 13.270 8.258 1.00 43.15 H new ATOM 0 HB2 HIS A 74 0.005 15.094 9.129 1.00 30.42 H new ATOM 0 HB3 HIS A 74 0.973 16.297 8.300 1.00 30.42 H new ATOM 0 HD2 HIS A 74 -0.645 13.021 6.690 1.00 64.43 H new ATOM 0 HE1 HIS A 74 -2.044 16.467 4.681 1.00 3.51 H new ATOM 0 HE2 HIS A 74 -2.128 13.916 4.725 1.00 5.24 H new ATOM 1179 N ASN A 75 3.506 15.565 6.929 1.00 14.43 N ATOM 1180 CA ASN A 75 4.386 15.848 5.755 1.00 30.52 C ATOM 1181 C ASN A 75 5.417 14.714 5.522 1.00 12.42 C ATOM 1182 O ASN A 75 5.598 14.250 4.388 1.00 23.24 O ATOM 1183 CB ASN A 75 5.101 17.209 5.929 1.00 52.04 C ATOM 1184 CG ASN A 75 4.121 18.380 5.933 1.00 74.41 C ATOM 1185 OD1 ASN A 75 3.588 18.759 6.971 1.00 61.45 O ATOM 1186 ND2 ASN A 75 3.875 18.960 4.773 1.00 42.14 N ATOM 0 H ASN A 75 3.592 16.247 7.683 1.00 14.43 H new ATOM 0 HA ASN A 75 3.750 15.897 4.871 1.00 30.52 H new ATOM 0 HB2 ASN A 75 5.663 17.205 6.863 1.00 52.04 H new ATOM 0 HB3 ASN A 75 5.822 17.344 5.123 1.00 52.04 H new ATOM 0 HD21 ASN A 75 3.226 19.746 4.723 1.00 42.14 H new ATOM 0 HD22 ASN A 75 4.333 18.623 3.927 1.00 42.14 H new ATOM 1193 N ARG A 76 6.061 14.257 6.616 1.00 3.24 N ATOM 1194 CA ARG A 76 6.998 13.110 6.579 1.00 23.11 C ATOM 1195 C ARG A 76 6.251 11.799 6.211 1.00 40.34 C ATOM 1196 O ARG A 76 6.802 10.934 5.537 1.00 62.52 O ATOM 1197 CB ARG A 76 7.724 12.955 7.945 1.00 12.24 C ATOM 1198 CG ARG A 76 8.805 11.840 7.981 1.00 65.33 C ATOM 1199 CD ARG A 76 10.052 12.184 7.138 1.00 23.40 C ATOM 1200 NE ARG A 76 10.893 13.212 7.774 1.00 62.04 N ATOM 1201 CZ ARG A 76 11.736 14.007 7.165 1.00 1.45 C ATOM 1202 NH1 ARG A 76 11.790 14.085 5.879 1.00 61.10 N ATOM 1203 NH2 ARG A 76 12.499 14.769 7.866 1.00 20.11 N ATOM 0 H ARG A 76 5.949 14.667 7.543 1.00 3.24 H new ATOM 0 HA ARG A 76 7.744 13.306 5.809 1.00 23.11 H new ATOM 0 HB2 ARG A 76 8.192 13.905 8.202 1.00 12.24 H new ATOM 0 HB3 ARG A 76 6.981 12.747 8.715 1.00 12.24 H new ATOM 0 HG2 ARG A 76 9.107 11.667 9.014 1.00 65.33 H new ATOM 0 HG3 ARG A 76 8.372 10.909 7.616 1.00 65.33 H new ATOM 0 HD2 ARG A 76 10.642 11.281 6.982 1.00 23.40 H new ATOM 0 HD3 ARG A 76 9.737 12.533 6.154 1.00 23.40 H new ATOM 0 HE ARG A 76 10.811 13.314 8.786 1.00 62.04 H new ATOM 0 HH11 ARG A 76 11.165 13.517 5.307 1.00 61.10 H new ATOM 0 HH12 ARG A 76 12.458 14.714 5.434 1.00 61.10 H new ATOM 0 HH21 ARG A 76 12.443 14.749 8.884 1.00 20.11 H new ATOM 0 HH22 ARG A 76 13.160 15.393 7.404 1.00 20.11 H new ATOM 1217 N PHE A 77 4.984 11.683 6.657 1.00 60.42 N ATOM 1218 CA PHE A 77 4.113 10.520 6.363 1.00 25.31 C ATOM 1219 C PHE A 77 3.748 10.443 4.856 1.00 40.23 C ATOM 1220 O PHE A 77 3.682 9.349 4.290 1.00 4.31 O ATOM 1221 CB PHE A 77 2.836 10.582 7.246 1.00 70.43 C ATOM 1222 CG PHE A 77 1.785 9.520 6.919 1.00 1.21 C ATOM 1223 CD1 PHE A 77 2.099 8.162 6.982 1.00 65.52 C ATOM 1224 CD2 PHE A 77 0.492 9.875 6.525 1.00 32.21 C ATOM 1225 CE1 PHE A 77 1.164 7.199 6.673 1.00 1.41 C ATOM 1226 CE2 PHE A 77 -0.439 8.908 6.213 1.00 3.23 C ATOM 1227 CZ PHE A 77 -0.101 7.570 6.287 1.00 51.22 C ATOM 0 H PHE A 77 4.532 12.393 7.233 1.00 60.42 H new ATOM 0 HA PHE A 77 4.664 9.611 6.603 1.00 25.31 H new ATOM 0 HB2 PHE A 77 3.127 10.477 8.291 1.00 70.43 H new ATOM 0 HB3 PHE A 77 2.383 11.568 7.139 1.00 70.43 H new ATOM 0 HD1 PHE A 77 3.093 7.861 7.278 1.00 65.52 H new ATOM 0 HD2 PHE A 77 0.219 10.918 6.464 1.00 32.21 H new ATOM 0 HE1 PHE A 77 1.425 6.153 6.734 1.00 1.41 H new ATOM 0 HE2 PHE A 77 -1.435 9.196 5.910 1.00 3.23 H new ATOM 0 HZ PHE A 77 -0.833 6.815 6.041 1.00 51.22 H new ATOM 1237 N ILE A 78 3.507 11.609 4.227 1.00 31.13 N ATOM 1238 CA ILE A 78 3.250 11.700 2.770 1.00 34.52 C ATOM 1239 C ILE A 78 4.483 11.192 1.983 1.00 30.15 C ATOM 1240 O ILE A 78 4.343 10.402 1.046 1.00 23.13 O ATOM 1241 CB ILE A 78 2.868 13.176 2.345 1.00 75.31 C ATOM 1242 CG1 ILE A 78 1.500 13.590 2.993 1.00 40.41 C ATOM 1243 CG2 ILE A 78 2.827 13.351 0.800 1.00 74.43 C ATOM 1244 CD1 ILE A 78 1.061 15.028 2.729 1.00 13.02 C ATOM 0 H ILE A 78 3.484 12.509 4.706 1.00 31.13 H new ATOM 0 HA ILE A 78 2.398 11.065 2.529 1.00 34.52 H new ATOM 0 HB ILE A 78 3.650 13.838 2.716 1.00 75.31 H new ATOM 0 HG12 ILE A 78 0.725 12.918 2.626 1.00 40.41 H new ATOM 0 HG13 ILE A 78 1.567 13.440 4.071 1.00 40.41 H new ATOM 0 HG21 ILE A 78 2.561 14.380 0.557 1.00 74.43 H new ATOM 0 HG22 ILE A 78 3.807 13.122 0.382 1.00 74.43 H new ATOM 0 HG23 ILE A 78 2.085 12.674 0.377 1.00 74.43 H new ATOM 0 HD11 ILE A 78 0.105 15.213 3.220 1.00 13.02 H new ATOM 0 HD12 ILE A 78 1.810 15.715 3.123 1.00 13.02 H new ATOM 0 HD13 ILE A 78 0.954 15.185 1.656 1.00 13.02 H new ATOM 1256 N GLU A 79 5.686 11.618 2.428 1.00 75.34 N ATOM 1257 CA GLU A 79 6.979 11.117 1.899 1.00 41.01 C ATOM 1258 C GLU A 79 7.066 9.578 1.959 1.00 0.45 C ATOM 1259 O GLU A 79 7.444 8.927 0.977 1.00 64.45 O ATOM 1260 CB GLU A 79 8.160 11.717 2.689 1.00 74.04 C ATOM 1261 CG GLU A 79 8.309 13.246 2.604 1.00 15.40 C ATOM 1262 CD GLU A 79 9.427 13.777 3.518 1.00 23.41 C ATOM 1263 OE1 GLU A 79 10.576 13.297 3.402 1.00 51.34 O ATOM 1264 OE2 GLU A 79 9.161 14.644 4.373 1.00 52.22 O ATOM 0 H GLU A 79 5.790 12.318 3.163 1.00 75.34 H new ATOM 0 HA GLU A 79 7.035 11.429 0.856 1.00 41.01 H new ATOM 0 HB2 GLU A 79 8.051 11.438 3.737 1.00 74.04 H new ATOM 0 HB3 GLU A 79 9.083 11.260 2.331 1.00 74.04 H new ATOM 0 HG2 GLU A 79 8.520 13.531 1.573 1.00 15.40 H new ATOM 0 HG3 GLU A 79 7.365 13.716 2.878 1.00 15.40 H new ATOM 1271 N LEU A 80 6.693 9.025 3.127 1.00 4.11 N ATOM 1272 CA LEU A 80 6.698 7.574 3.381 1.00 30.12 C ATOM 1273 C LEU A 80 5.751 6.830 2.415 1.00 3.43 C ATOM 1274 O LEU A 80 6.149 5.829 1.832 1.00 21.15 O ATOM 1275 CB LEU A 80 6.338 7.293 4.865 1.00 24.42 C ATOM 1276 CG LEU A 80 7.378 7.815 5.910 1.00 64.21 C ATOM 1277 CD1 LEU A 80 6.887 7.612 7.354 1.00 4.44 C ATOM 1278 CD2 LEU A 80 8.770 7.170 5.687 1.00 42.30 C ATOM 0 H LEU A 80 6.378 9.576 3.926 1.00 4.11 H new ATOM 0 HA LEU A 80 7.702 7.193 3.195 1.00 30.12 H new ATOM 0 HB2 LEU A 80 5.371 7.747 5.080 1.00 24.42 H new ATOM 0 HB3 LEU A 80 6.222 6.217 4.997 1.00 24.42 H new ATOM 0 HG LEU A 80 7.483 8.889 5.756 1.00 64.21 H new ATOM 0 HD11 LEU A 80 7.638 7.987 8.050 1.00 4.44 H new ATOM 0 HD12 LEU A 80 5.953 8.154 7.500 1.00 4.44 H new ATOM 0 HD13 LEU A 80 6.722 6.550 7.536 1.00 4.44 H new ATOM 0 HD21 LEU A 80 9.471 7.553 6.429 1.00 42.30 H new ATOM 0 HD22 LEU A 80 8.690 6.088 5.788 1.00 42.30 H new ATOM 0 HD23 LEU A 80 9.129 7.416 4.688 1.00 42.30 H new ATOM 1290 N ASN A 81 4.523 7.359 2.210 1.00 42.12 N ATOM 1291 CA ASN A 81 3.542 6.774 1.255 1.00 1.45 C ATOM 1292 C ASN A 81 4.117 6.709 -0.189 1.00 3.33 C ATOM 1293 O ASN A 81 3.910 5.727 -0.897 1.00 50.23 O ATOM 1294 CB ASN A 81 2.216 7.586 1.258 1.00 52.41 C ATOM 1295 CG ASN A 81 1.498 7.575 2.609 1.00 72.42 C ATOM 1296 OD1 ASN A 81 1.608 6.629 3.381 1.00 23.32 O ATOM 1297 ND2 ASN A 81 0.743 8.616 2.899 1.00 54.44 N ATOM 0 H ASN A 81 4.183 8.191 2.692 1.00 42.12 H new ATOM 0 HA ASN A 81 3.337 5.756 1.587 1.00 1.45 H new ATOM 0 HB2 ASN A 81 2.430 8.617 0.977 1.00 52.41 H new ATOM 0 HB3 ASN A 81 1.549 7.180 0.497 1.00 52.41 H new ATOM 0 HD21 ASN A 81 0.234 8.647 3.782 1.00 54.44 H new ATOM 0 HD22 ASN A 81 0.668 9.391 2.240 1.00 54.44 H new ATOM 1304 N PHE A 82 4.858 7.755 -0.601 1.00 62.14 N ATOM 1305 CA PHE A 82 5.512 7.807 -1.934 1.00 32.11 C ATOM 1306 C PHE A 82 6.615 6.734 -2.095 1.00 41.52 C ATOM 1307 O PHE A 82 6.603 5.986 -3.062 1.00 51.41 O ATOM 1308 CB PHE A 82 6.094 9.226 -2.206 1.00 63.24 C ATOM 1309 CG PHE A 82 5.094 10.205 -2.810 1.00 40.23 C ATOM 1310 CD1 PHE A 82 4.140 10.836 -2.025 1.00 71.22 C ATOM 1311 CD2 PHE A 82 5.118 10.496 -4.173 1.00 21.41 C ATOM 1312 CE1 PHE A 82 3.241 11.721 -2.575 1.00 43.25 C ATOM 1313 CE2 PHE A 82 4.216 11.381 -4.722 1.00 4.34 C ATOM 1314 CZ PHE A 82 3.278 11.993 -3.923 1.00 55.54 C ATOM 0 H PHE A 82 5.023 8.584 -0.029 1.00 62.14 H new ATOM 0 HA PHE A 82 4.740 7.589 -2.672 1.00 32.11 H new ATOM 0 HB2 PHE A 82 6.469 9.638 -1.269 1.00 63.24 H new ATOM 0 HB3 PHE A 82 6.947 9.134 -2.878 1.00 63.24 H new ATOM 0 HD1 PHE A 82 4.102 10.629 -0.966 1.00 71.22 H new ATOM 0 HD2 PHE A 82 5.853 10.022 -4.807 1.00 21.41 H new ATOM 0 HE1 PHE A 82 2.506 12.203 -1.948 1.00 43.25 H new ATOM 0 HE2 PHE A 82 4.245 11.594 -5.780 1.00 4.34 H new ATOM 0 HZ PHE A 82 2.571 12.687 -4.354 1.00 55.54 H new ATOM 1324 N LYS A 83 7.573 6.681 -1.158 1.00 65.34 N ATOM 1325 CA LYS A 83 8.732 5.746 -1.256 1.00 75.42 C ATOM 1326 C LYS A 83 8.357 4.271 -0.980 1.00 62.31 C ATOM 1327 O LYS A 83 9.051 3.358 -1.444 1.00 64.24 O ATOM 1328 CB LYS A 83 9.894 6.229 -0.358 1.00 13.33 C ATOM 1329 CG LYS A 83 9.558 6.391 1.141 1.00 34.23 C ATOM 1330 CD LYS A 83 10.653 7.178 1.902 1.00 74.44 C ATOM 1331 CE LYS A 83 10.833 8.620 1.363 1.00 0.54 C ATOM 1332 NZ LYS A 83 11.953 9.325 2.025 1.00 53.13 N ATOM 0 H LYS A 83 7.579 7.267 -0.323 1.00 65.34 H new ATOM 0 HA LYS A 83 9.068 5.764 -2.293 1.00 75.42 H new ATOM 0 HB2 LYS A 83 10.719 5.523 -0.452 1.00 13.33 H new ATOM 0 HB3 LYS A 83 10.249 7.187 -0.738 1.00 13.33 H new ATOM 0 HG2 LYS A 83 8.603 6.907 1.244 1.00 34.23 H new ATOM 0 HG3 LYS A 83 9.439 5.407 1.594 1.00 34.23 H new ATOM 0 HD2 LYS A 83 10.397 7.219 2.961 1.00 74.44 H new ATOM 0 HD3 LYS A 83 11.600 6.644 1.824 1.00 74.44 H new ATOM 0 HE2 LYS A 83 11.011 8.585 0.288 1.00 0.54 H new ATOM 0 HE3 LYS A 83 9.911 9.181 1.515 1.00 0.54 H new ATOM 0 HZ1 LYS A 83 12.038 10.285 1.635 1.00 53.13 H new ATOM 0 HZ2 LYS A 83 11.772 9.382 3.047 1.00 53.13 H new ATOM 0 HZ3 LYS A 83 12.838 8.804 1.859 1.00 53.13 H new ATOM 1346 N HIS A 84 7.280 4.043 -0.212 1.00 31.42 N ATOM 1347 CA HIS A 84 6.763 2.682 0.054 1.00 71.42 C ATOM 1348 C HIS A 84 5.941 2.128 -1.133 1.00 14.45 C ATOM 1349 O HIS A 84 6.155 0.993 -1.569 1.00 41.43 O ATOM 1350 CB HIS A 84 5.895 2.677 1.343 1.00 64.53 C ATOM 1351 CG HIS A 84 6.657 2.977 2.610 1.00 53.22 C ATOM 1352 ND1 HIS A 84 6.082 3.582 3.711 1.00 30.24 N ATOM 1353 CD2 HIS A 84 7.945 2.742 2.953 1.00 42.41 C ATOM 1354 CE1 HIS A 84 6.973 3.696 4.669 1.00 75.22 C ATOM 1355 NE2 HIS A 84 8.110 3.199 4.235 1.00 14.01 N ATOM 0 H HIS A 84 6.745 4.785 0.240 1.00 31.42 H new ATOM 0 HA HIS A 84 7.627 2.031 0.191 1.00 71.42 H new ATOM 0 HB2 HIS A 84 5.097 3.411 1.231 1.00 64.53 H new ATOM 0 HB3 HIS A 84 5.419 1.701 1.442 1.00 64.53 H new ATOM 0 HD1 HIS A 84 5.112 3.893 3.771 1.00 30.24 H new ATOM 0 HD2 HIS A 84 8.700 2.281 2.334 1.00 42.41 H new ATOM 0 HE1 HIS A 84 6.801 4.124 5.645 1.00 75.22 H new ATOM 1364 N LEU A 85 5.025 2.951 -1.672 1.00 61.14 N ATOM 1365 CA LEU A 85 4.023 2.483 -2.663 1.00 1.35 C ATOM 1366 C LEU A 85 4.476 2.739 -4.131 1.00 70.23 C ATOM 1367 O LEU A 85 4.237 1.910 -5.013 1.00 51.31 O ATOM 1368 CB LEU A 85 2.678 3.220 -2.365 1.00 2.41 C ATOM 1369 CG LEU A 85 2.061 2.979 -0.938 1.00 53.41 C ATOM 1370 CD1 LEU A 85 0.833 3.887 -0.690 1.00 34.14 C ATOM 1371 CD2 LEU A 85 1.701 1.489 -0.722 1.00 13.33 C ATOM 0 H LEU A 85 4.952 3.942 -1.443 1.00 61.14 H new ATOM 0 HA LEU A 85 3.904 1.404 -2.567 1.00 1.35 H new ATOM 0 HB2 LEU A 85 2.837 4.291 -2.494 1.00 2.41 H new ATOM 0 HB3 LEU A 85 1.946 2.914 -3.112 1.00 2.41 H new ATOM 0 HG LEU A 85 2.824 3.247 -0.207 1.00 53.41 H new ATOM 0 HD11 LEU A 85 0.433 3.694 0.305 1.00 34.14 H new ATOM 0 HD12 LEU A 85 1.133 4.932 -0.764 1.00 34.14 H new ATOM 0 HD13 LEU A 85 0.067 3.676 -1.437 1.00 34.14 H new ATOM 0 HD21 LEU A 85 1.277 1.358 0.274 1.00 13.33 H new ATOM 0 HD22 LEU A 85 0.972 1.179 -1.470 1.00 13.33 H new ATOM 0 HD23 LEU A 85 2.600 0.880 -0.817 1.00 13.33 H new ATOM 1383 N LEU A 86 5.205 3.844 -4.365 1.00 41.25 N ATOM 1384 CA LEU A 86 5.655 4.267 -5.729 1.00 41.34 C ATOM 1385 C LEU A 86 7.197 4.335 -5.841 1.00 32.15 C ATOM 1386 O LEU A 86 7.726 4.548 -6.935 1.00 71.53 O ATOM 1387 CB LEU A 86 5.019 5.649 -6.079 1.00 54.33 C ATOM 1388 CG LEU A 86 3.478 5.636 -6.351 1.00 72.41 C ATOM 1389 CD1 LEU A 86 2.898 7.069 -6.409 1.00 22.35 C ATOM 1390 CD2 LEU A 86 3.151 4.846 -7.643 1.00 71.25 C ATOM 0 H LEU A 86 5.505 4.477 -3.624 1.00 41.25 H new ATOM 0 HA LEU A 86 5.320 3.515 -6.443 1.00 41.34 H new ATOM 0 HB2 LEU A 86 5.219 6.339 -5.259 1.00 54.33 H new ATOM 0 HB3 LEU A 86 5.522 6.047 -6.960 1.00 54.33 H new ATOM 0 HG LEU A 86 3.000 5.127 -5.514 1.00 72.41 H new ATOM 0 HD11 LEU A 86 1.826 7.020 -6.599 1.00 22.35 H new ATOM 0 HD12 LEU A 86 3.075 7.572 -5.458 1.00 22.35 H new ATOM 0 HD13 LEU A 86 3.384 7.626 -7.210 1.00 22.35 H new ATOM 0 HD21 LEU A 86 2.074 4.852 -7.810 1.00 71.25 H new ATOM 0 HD22 LEU A 86 3.652 5.312 -8.491 1.00 71.25 H new ATOM 0 HD23 LEU A 86 3.497 3.818 -7.538 1.00 71.25 H new ATOM 1402 N GLY A 87 7.895 4.181 -4.698 1.00 21.35 N ATOM 1403 CA GLY A 87 9.363 4.158 -4.657 1.00 11.11 C ATOM 1404 C GLY A 87 10.054 5.493 -4.961 1.00 61.13 C ATOM 1405 O GLY A 87 11.176 5.497 -5.475 1.00 21.42 O ATOM 0 H GLY A 87 7.456 4.070 -3.784 1.00 21.35 H new ATOM 0 HA2 GLY A 87 9.676 3.824 -3.668 1.00 11.11 H new ATOM 0 HA3 GLY A 87 9.717 3.415 -5.371 1.00 11.11 H new ATOM 1409 N ARG A 88 9.401 6.629 -4.629 1.00 3.11 N ATOM 1410 CA ARG A 88 9.949 7.991 -4.903 1.00 50.32 C ATOM 1411 C ARG A 88 9.899 8.918 -3.665 1.00 20.35 C ATOM 1412 O ARG A 88 9.210 8.648 -2.686 1.00 64.41 O ATOM 1413 CB ARG A 88 9.173 8.668 -6.071 1.00 24.54 C ATOM 1414 CG ARG A 88 9.382 8.006 -7.450 1.00 12.52 C ATOM 1415 CD ARG A 88 8.660 8.756 -8.586 1.00 12.01 C ATOM 1416 NE ARG A 88 7.198 8.790 -8.386 1.00 20.54 N ATOM 1417 CZ ARG A 88 6.308 8.180 -9.133 1.00 33.40 C ATOM 1418 NH1 ARG A 88 6.666 7.498 -10.171 1.00 53.45 N ATOM 1419 NH2 ARG A 88 5.055 8.268 -8.842 1.00 72.23 N ATOM 0 H ARG A 88 8.491 6.637 -4.169 1.00 3.11 H new ATOM 0 HA ARG A 88 10.995 7.849 -5.175 1.00 50.32 H new ATOM 0 HB2 ARG A 88 8.109 8.659 -5.836 1.00 24.54 H new ATOM 0 HB3 ARG A 88 9.477 9.713 -6.134 1.00 24.54 H new ATOM 0 HG2 ARG A 88 10.449 7.963 -7.670 1.00 12.52 H new ATOM 0 HG3 ARG A 88 9.022 6.978 -7.413 1.00 12.52 H new ATOM 0 HD2 ARG A 88 9.041 9.775 -8.647 1.00 12.01 H new ATOM 0 HD3 ARG A 88 8.884 8.275 -9.538 1.00 12.01 H new ATOM 0 HE ARG A 88 6.849 9.335 -7.598 1.00 20.54 H new ATOM 0 HH11 ARG A 88 7.653 7.428 -10.420 1.00 53.45 H new ATOM 0 HH12 ARG A 88 5.962 7.030 -10.741 1.00 53.45 H new ATOM 0 HH21 ARG A 88 4.756 8.811 -8.032 1.00 72.23 H new ATOM 0 HH22 ARG A 88 4.362 7.794 -9.422 1.00 72.23 H new ATOM 1433 N ALA A 89 10.657 10.019 -3.743 1.00 15.54 N ATOM 1434 CA ALA A 89 10.607 11.136 -2.775 1.00 20.24 C ATOM 1435 C ALA A 89 9.794 12.310 -3.378 1.00 71.23 C ATOM 1436 O ALA A 89 10.125 12.764 -4.480 1.00 74.42 O ATOM 1437 CB ALA A 89 12.035 11.582 -2.420 1.00 35.15 C ATOM 0 H ALA A 89 11.335 10.167 -4.490 1.00 15.54 H new ATOM 0 HA ALA A 89 10.114 10.807 -1.860 1.00 20.24 H new ATOM 0 HB1 ALA A 89 11.992 12.405 -1.707 1.00 35.15 H new ATOM 0 HB2 ALA A 89 12.578 10.746 -1.978 1.00 35.15 H new ATOM 0 HB3 ALA A 89 12.549 11.911 -3.323 1.00 35.15 H new ATOM 1443 N PRO A 90 8.695 12.804 -2.703 1.00 22.23 N ATOM 1444 CA PRO A 90 7.888 13.946 -3.212 1.00 4.45 C ATOM 1445 C PRO A 90 8.648 15.299 -3.078 1.00 2.44 C ATOM 1446 O PRO A 90 8.435 16.088 -2.149 1.00 34.53 O ATOM 1447 CB PRO A 90 6.597 13.886 -2.358 1.00 35.32 C ATOM 1448 CG PRO A 90 7.045 13.288 -1.058 1.00 63.24 C ATOM 1449 CD PRO A 90 8.165 12.308 -1.404 1.00 12.34 C ATOM 0 HA PRO A 90 7.674 13.878 -4.279 1.00 4.45 H new ATOM 0 HB2 PRO A 90 6.168 14.878 -2.214 1.00 35.32 H new ATOM 0 HB3 PRO A 90 5.832 13.274 -2.835 1.00 35.32 H new ATOM 0 HG2 PRO A 90 7.400 14.060 -0.376 1.00 63.24 H new ATOM 0 HG3 PRO A 90 6.221 12.777 -0.560 1.00 63.24 H new ATOM 0 HD2 PRO A 90 8.938 12.299 -0.636 1.00 12.34 H new ATOM 0 HD3 PRO A 90 7.790 11.288 -1.490 1.00 12.34 H new ATOM 1457 N TYR A 91 9.571 15.504 -4.027 1.00 5.14 N ATOM 1458 CA TYR A 91 10.454 16.690 -4.113 1.00 24.33 C ATOM 1459 C TYR A 91 9.667 18.007 -4.337 1.00 34.34 C ATOM 1460 O TYR A 91 10.112 19.079 -3.920 1.00 52.41 O ATOM 1461 CB TYR A 91 11.490 16.474 -5.260 1.00 11.22 C ATOM 1462 CG TYR A 91 10.851 16.081 -6.615 1.00 71.41 C ATOM 1463 CD1 TYR A 91 10.344 17.045 -7.492 1.00 4.42 C ATOM 1464 CD2 TYR A 91 10.712 14.737 -6.988 1.00 71.21 C ATOM 1465 CE1 TYR A 91 9.731 16.690 -8.678 1.00 72.34 C ATOM 1466 CE2 TYR A 91 10.107 14.378 -8.176 1.00 74.45 C ATOM 1467 CZ TYR A 91 9.614 15.354 -9.015 1.00 64.44 C ATOM 1468 OH TYR A 91 9.001 14.988 -10.201 1.00 44.42 O ATOM 0 H TYR A 91 9.734 14.835 -4.780 1.00 5.14 H new ATOM 0 HA TYR A 91 10.966 16.795 -3.157 1.00 24.33 H new ATOM 0 HB2 TYR A 91 12.067 17.389 -5.393 1.00 11.22 H new ATOM 0 HB3 TYR A 91 12.192 15.696 -4.961 1.00 11.22 H new ATOM 0 HD1 TYR A 91 10.434 18.090 -7.236 1.00 4.42 H new ATOM 0 HD2 TYR A 91 11.086 13.965 -6.332 1.00 71.21 H new ATOM 0 HE1 TYR A 91 9.345 17.452 -9.339 1.00 72.34 H new ATOM 0 HE2 TYR A 91 10.020 13.336 -8.447 1.00 74.45 H new ATOM 0 HH TYR A 91 9.004 14.011 -10.283 1.00 44.42 H new ATOM 1478 N ASP A 92 8.505 17.916 -5.019 1.00 52.12 N ATOM 1479 CA ASP A 92 7.699 19.095 -5.376 1.00 73.04 C ATOM 1480 C ASP A 92 6.421 19.155 -4.517 1.00 14.20 C ATOM 1481 O ASP A 92 5.780 18.130 -4.243 1.00 52.43 O ATOM 1482 CB ASP A 92 7.357 19.077 -6.886 1.00 42.32 C ATOM 1483 CG ASP A 92 6.610 20.338 -7.352 1.00 34.40 C ATOM 1484 OD1 ASP A 92 7.253 21.387 -7.570 1.00 64.33 O ATOM 1485 OD2 ASP A 92 5.381 20.301 -7.485 1.00 14.42 O ATOM 0 H ASP A 92 8.106 17.032 -5.333 1.00 52.12 H new ATOM 0 HA ASP A 92 8.282 19.993 -5.173 1.00 73.04 H new ATOM 0 HB2 ASP A 92 8.278 18.975 -7.460 1.00 42.32 H new ATOM 0 HB3 ASP A 92 6.747 18.200 -7.104 1.00 42.32 H new ATOM 1490 N GLN A 93 6.071 20.380 -4.119 1.00 65.25 N ATOM 1491 CA GLN A 93 4.945 20.662 -3.197 1.00 2.14 C ATOM 1492 C GLN A 93 3.555 20.306 -3.774 1.00 5.54 C ATOM 1493 O GLN A 93 2.626 20.114 -3.001 1.00 32.23 O ATOM 1494 CB GLN A 93 4.972 22.136 -2.718 1.00 3.13 C ATOM 1495 CG GLN A 93 6.212 22.500 -1.870 1.00 62.21 C ATOM 1496 CD GLN A 93 6.116 23.888 -1.235 1.00 41.21 C ATOM 1497 OE1 GLN A 93 6.556 24.886 -1.802 1.00 22.44 O ATOM 1498 NE2 GLN A 93 5.527 23.964 -0.056 1.00 44.34 N ATOM 0 H GLN A 93 6.561 21.220 -4.426 1.00 65.25 H new ATOM 0 HA GLN A 93 5.097 20.002 -2.343 1.00 2.14 H new ATOM 0 HB2 GLN A 93 4.935 22.791 -3.589 1.00 3.13 H new ATOM 0 HB3 GLN A 93 4.074 22.333 -2.133 1.00 3.13 H new ATOM 0 HG2 GLN A 93 6.339 21.755 -1.084 1.00 62.21 H new ATOM 0 HG3 GLN A 93 7.101 22.455 -2.499 1.00 62.21 H new ATOM 0 HE21 GLN A 93 5.171 23.119 0.392 1.00 44.34 H new ATOM 0 HE22 GLN A 93 5.428 24.867 0.407 1.00 44.34 H new ATOM 1507 N ALA A 94 3.404 20.251 -5.112 1.00 52.32 N ATOM 1508 CA ALA A 94 2.129 19.822 -5.759 1.00 55.33 C ATOM 1509 C ALA A 94 1.780 18.350 -5.425 1.00 33.14 C ATOM 1510 O ALA A 94 0.605 18.008 -5.313 1.00 1.32 O ATOM 1511 CB ALA A 94 2.186 20.032 -7.280 1.00 3.03 C ATOM 0 H ALA A 94 4.142 20.496 -5.772 1.00 52.32 H new ATOM 0 HA ALA A 94 1.335 20.449 -5.353 1.00 55.33 H new ATOM 0 HB1 ALA A 94 1.245 19.712 -7.727 1.00 3.03 H new ATOM 0 HB2 ALA A 94 2.349 21.088 -7.496 1.00 3.03 H new ATOM 0 HB3 ALA A 94 3.004 19.446 -7.698 1.00 3.03 H new ATOM 1517 N GLU A 95 2.812 17.493 -5.275 1.00 61.43 N ATOM 1518 CA GLU A 95 2.641 16.069 -4.870 1.00 41.11 C ATOM 1519 C GLU A 95 2.172 15.949 -3.397 1.00 52.44 C ATOM 1520 O GLU A 95 1.260 15.168 -3.071 1.00 62.14 O ATOM 1521 CB GLU A 95 3.977 15.284 -5.068 1.00 13.35 C ATOM 1522 CG GLU A 95 4.264 14.808 -6.508 1.00 75.21 C ATOM 1523 CD GLU A 95 4.511 15.942 -7.519 1.00 15.12 C ATOM 1524 OE1 GLU A 95 3.539 16.438 -8.135 1.00 44.12 O ATOM 1525 OE2 GLU A 95 5.679 16.321 -7.725 1.00 11.05 O ATOM 0 H GLU A 95 3.784 17.760 -5.429 1.00 61.43 H new ATOM 0 HA GLU A 95 1.870 15.635 -5.507 1.00 41.11 H new ATOM 0 HB2 GLU A 95 4.802 15.918 -4.743 1.00 13.35 H new ATOM 0 HB3 GLU A 95 3.967 14.414 -4.412 1.00 13.35 H new ATOM 0 HG2 GLU A 95 5.136 14.155 -6.494 1.00 75.21 H new ATOM 0 HG3 GLU A 95 3.422 14.208 -6.853 1.00 75.21 H new ATOM 1532 N VAL A 96 2.838 16.715 -2.519 1.00 54.22 N ATOM 1533 CA VAL A 96 2.525 16.775 -1.073 1.00 40.02 C ATOM 1534 C VAL A 96 1.093 17.324 -0.837 1.00 12.45 C ATOM 1535 O VAL A 96 0.287 16.719 -0.129 1.00 52.23 O ATOM 1536 CB VAL A 96 3.581 17.670 -0.316 1.00 42.24 C ATOM 1537 CG1 VAL A 96 3.315 17.699 1.215 1.00 61.40 C ATOM 1538 CG2 VAL A 96 5.032 17.210 -0.626 1.00 2.25 C ATOM 0 H VAL A 96 3.616 17.317 -2.790 1.00 54.22 H new ATOM 0 HA VAL A 96 2.574 15.761 -0.676 1.00 40.02 H new ATOM 0 HB VAL A 96 3.468 18.689 -0.685 1.00 42.24 H new ATOM 0 HG11 VAL A 96 4.062 18.325 1.702 1.00 61.40 H new ATOM 0 HG12 VAL A 96 2.322 18.106 1.404 1.00 61.40 H new ATOM 0 HG13 VAL A 96 3.374 16.686 1.614 1.00 61.40 H new ATOM 0 HG21 VAL A 96 5.737 17.845 -0.090 1.00 2.25 H new ATOM 0 HG22 VAL A 96 5.162 16.176 -0.308 1.00 2.25 H new ATOM 0 HG23 VAL A 96 5.217 17.286 -1.698 1.00 2.25 H new ATOM 1548 N ALA A 97 0.806 18.467 -1.478 1.00 33.30 N ATOM 1549 CA ALA A 97 -0.506 19.149 -1.423 1.00 41.30 C ATOM 1550 C ALA A 97 -1.635 18.313 -2.074 1.00 52.23 C ATOM 1551 O ALA A 97 -2.791 18.428 -1.667 1.00 5.03 O ATOM 1552 CB ALA A 97 -0.409 20.538 -2.079 1.00 13.53 C ATOM 0 H ALA A 97 1.487 18.955 -2.060 1.00 33.30 H new ATOM 0 HA ALA A 97 -0.768 19.266 -0.372 1.00 41.30 H new ATOM 0 HB1 ALA A 97 -1.380 21.031 -2.033 1.00 13.53 H new ATOM 0 HB2 ALA A 97 0.329 21.140 -1.549 1.00 13.53 H new ATOM 0 HB3 ALA A 97 -0.107 20.428 -3.121 1.00 13.53 H new ATOM 1558 N ALA A 98 -1.299 17.502 -3.103 1.00 2.03 N ATOM 1559 CA ALA A 98 -2.262 16.560 -3.733 1.00 61.12 C ATOM 1560 C ALA A 98 -2.764 15.511 -2.717 1.00 71.22 C ATOM 1561 O ALA A 98 -3.969 15.287 -2.588 1.00 22.02 O ATOM 1562 CB ALA A 98 -1.633 15.860 -4.948 1.00 13.24 C ATOM 0 H ALA A 98 -0.367 17.479 -3.518 1.00 2.03 H new ATOM 0 HA ALA A 98 -3.116 17.145 -4.073 1.00 61.12 H new ATOM 0 HB1 ALA A 98 -2.358 15.177 -5.390 1.00 13.24 H new ATOM 0 HB2 ALA A 98 -1.340 16.606 -5.687 1.00 13.24 H new ATOM 0 HB3 ALA A 98 -0.754 15.300 -4.630 1.00 13.24 H new ATOM 1568 N HIS A 99 -1.819 14.890 -1.984 1.00 4.03 N ATOM 1569 CA HIS A 99 -2.139 13.894 -0.933 1.00 24.20 C ATOM 1570 C HIS A 99 -2.759 14.542 0.322 1.00 33.15 C ATOM 1571 O HIS A 99 -3.552 13.910 1.015 1.00 52.33 O ATOM 1572 CB HIS A 99 -0.885 13.059 -0.569 1.00 41.33 C ATOM 1573 CG HIS A 99 -0.633 11.921 -1.517 1.00 44.35 C ATOM 1574 ND1 HIS A 99 -0.905 10.609 -1.190 1.00 33.22 N ATOM 1575 CD2 HIS A 99 -0.171 11.896 -2.791 1.00 71.44 C ATOM 1576 CE1 HIS A 99 -0.614 9.829 -2.205 1.00 20.43 C ATOM 1577 NE2 HIS A 99 -0.166 10.580 -3.192 1.00 73.33 N ATOM 0 H HIS A 99 -0.820 15.060 -2.099 1.00 4.03 H new ATOM 0 HA HIS A 99 -2.894 13.224 -1.345 1.00 24.20 H new ATOM 0 HB2 HIS A 99 -0.013 13.713 -0.557 1.00 41.33 H new ATOM 0 HB3 HIS A 99 -1.001 12.663 0.440 1.00 41.33 H new ATOM 0 HD1 HIS A 99 -1.276 10.292 -0.294 1.00 33.22 H new ATOM 0 HD2 HIS A 99 0.135 12.748 -3.380 1.00 71.44 H new ATOM 0 HE1 HIS A 99 -0.723 8.755 -2.228 1.00 20.43 H new ATOM 1586 N ALA A 100 -2.380 15.790 0.621 1.00 31.45 N ATOM 1587 CA ALA A 100 -3.026 16.575 1.691 1.00 35.03 C ATOM 1588 C ALA A 100 -4.514 16.855 1.354 1.00 1.23 C ATOM 1589 O ALA A 100 -5.392 16.680 2.197 1.00 1.54 O ATOM 1590 CB ALA A 100 -2.251 17.877 1.929 1.00 51.21 C ATOM 0 H ALA A 100 -1.628 16.283 0.139 1.00 31.45 H new ATOM 0 HA ALA A 100 -3.007 15.993 2.612 1.00 35.03 H new ATOM 0 HB1 ALA A 100 -2.735 18.449 2.720 1.00 51.21 H new ATOM 0 HB2 ALA A 100 -1.228 17.643 2.225 1.00 51.21 H new ATOM 0 HB3 ALA A 100 -2.238 18.465 1.012 1.00 51.21 H new ATOM 1596 N ALA A 101 -4.780 17.243 0.093 1.00 3.41 N ATOM 1597 CA ALA A 101 -6.151 17.529 -0.399 1.00 33.24 C ATOM 1598 C ALA A 101 -7.026 16.253 -0.446 1.00 74.41 C ATOM 1599 O ALA A 101 -8.203 16.283 -0.068 1.00 51.53 O ATOM 1600 CB ALA A 101 -6.091 18.186 -1.787 1.00 60.32 C ATOM 0 H ALA A 101 -4.057 17.368 -0.615 1.00 3.41 H new ATOM 0 HA ALA A 101 -6.616 18.219 0.305 1.00 33.24 H new ATOM 0 HB1 ALA A 101 -7.103 18.391 -2.137 1.00 60.32 H new ATOM 0 HB2 ALA A 101 -5.533 19.120 -1.724 1.00 60.32 H new ATOM 0 HB3 ALA A 101 -5.594 17.514 -2.487 1.00 60.32 H new ATOM 1606 N THR A 102 -6.429 15.135 -0.906 1.00 13.32 N ATOM 1607 CA THR A 102 -7.131 13.832 -1.019 1.00 53.03 C ATOM 1608 C THR A 102 -7.461 13.263 0.385 1.00 54.40 C ATOM 1609 O THR A 102 -8.592 12.836 0.638 1.00 1.34 O ATOM 1610 CB THR A 102 -6.300 12.795 -1.855 1.00 73.43 C ATOM 1611 OG1 THR A 102 -6.005 13.334 -3.160 1.00 53.03 O ATOM 1612 CG2 THR A 102 -7.047 11.458 -2.044 1.00 10.13 C ATOM 0 H THR A 102 -5.455 15.105 -1.208 1.00 13.32 H new ATOM 0 HA THR A 102 -8.066 14.009 -1.551 1.00 53.03 H new ATOM 0 HB THR A 102 -5.384 12.605 -1.295 1.00 73.43 H new ATOM 0 HG1 THR A 102 -5.312 14.022 -3.081 1.00 53.03 H new ATOM 0 HG21 THR A 102 -6.430 10.776 -2.629 1.00 10.13 H new ATOM 0 HG22 THR A 102 -7.254 11.016 -1.069 1.00 10.13 H new ATOM 0 HG23 THR A 102 -7.986 11.637 -2.568 1.00 10.13 H new ATOM 1620 N TYR A 103 -6.471 13.284 1.292 1.00 31.40 N ATOM 1621 CA TYR A 103 -6.658 12.892 2.707 1.00 61.22 C ATOM 1622 C TYR A 103 -7.736 13.752 3.445 1.00 20.12 C ATOM 1623 O TYR A 103 -8.618 13.200 4.104 1.00 70.44 O ATOM 1624 CB TYR A 103 -5.285 12.947 3.455 1.00 74.44 C ATOM 1625 CG TYR A 103 -5.392 12.914 4.989 1.00 40.34 C ATOM 1626 CD1 TYR A 103 -5.847 11.775 5.661 1.00 3.44 C ATOM 1627 CD2 TYR A 103 -5.093 14.043 5.760 1.00 62.43 C ATOM 1628 CE1 TYR A 103 -6.009 11.770 7.033 1.00 5.35 C ATOM 1629 CE2 TYR A 103 -5.240 14.034 7.131 1.00 52.40 C ATOM 1630 CZ TYR A 103 -5.704 12.902 7.760 1.00 72.12 C ATOM 1631 OH TYR A 103 -5.890 12.913 9.122 1.00 23.22 O ATOM 0 H TYR A 103 -5.518 13.572 1.070 1.00 31.40 H new ATOM 0 HA TYR A 103 -7.037 11.870 2.714 1.00 61.22 H new ATOM 0 HB2 TYR A 103 -4.674 12.106 3.128 1.00 74.44 H new ATOM 0 HB3 TYR A 103 -4.761 13.856 3.160 1.00 74.44 H new ATOM 0 HD1 TYR A 103 -6.076 10.883 5.097 1.00 3.44 H new ATOM 0 HD2 TYR A 103 -4.740 14.939 5.271 1.00 62.43 H new ATOM 0 HE1 TYR A 103 -6.372 10.885 7.534 1.00 5.35 H new ATOM 0 HE2 TYR A 103 -4.992 14.912 7.709 1.00 52.40 H new ATOM 0 HH TYR A 103 -5.034 12.748 9.570 1.00 23.22 H new ATOM 1641 N HIS A 104 -7.652 15.094 3.348 1.00 22.03 N ATOM 1642 CA HIS A 104 -8.553 15.999 4.123 1.00 33.14 C ATOM 1643 C HIS A 104 -10.000 16.032 3.555 1.00 34.04 C ATOM 1644 O HIS A 104 -10.969 16.021 4.323 1.00 64.25 O ATOM 1645 CB HIS A 104 -7.967 17.440 4.209 1.00 12.40 C ATOM 1646 CG HIS A 104 -6.776 17.584 5.139 1.00 20.44 C ATOM 1647 ND1 HIS A 104 -6.861 17.362 6.497 1.00 33.45 N ATOM 1648 CD2 HIS A 104 -5.485 17.946 4.914 1.00 73.50 C ATOM 1649 CE1 HIS A 104 -5.691 17.573 7.058 1.00 33.35 C ATOM 1650 NE2 HIS A 104 -4.837 17.923 6.125 1.00 0.43 N ATOM 0 H HIS A 104 -6.982 15.579 2.751 1.00 22.03 H new ATOM 0 HA HIS A 104 -8.612 15.586 5.130 1.00 33.14 H new ATOM 0 HB2 HIS A 104 -7.671 17.758 3.209 1.00 12.40 H new ATOM 0 HB3 HIS A 104 -8.753 18.119 4.539 1.00 12.40 H new ATOM 0 HD2 HIS A 104 -5.050 18.204 3.960 1.00 73.50 H new ATOM 0 HE1 HIS A 104 -5.470 17.475 8.110 1.00 33.35 H new ATOM 0 HE2 HIS A 104 -3.852 18.142 6.275 1.00 0.43 H new ATOM 1659 N SER A 105 -10.143 16.087 2.215 1.00 12.51 N ATOM 1660 CA SER A 105 -11.479 16.205 1.560 1.00 23.03 C ATOM 1661 C SER A 105 -12.173 14.831 1.341 1.00 35.42 C ATOM 1662 O SER A 105 -13.398 14.722 1.471 1.00 54.33 O ATOM 1663 CB SER A 105 -11.338 16.950 0.208 1.00 0.34 C ATOM 1664 OG SER A 105 -12.579 17.059 -0.475 1.00 30.02 O ATOM 0 H SER A 105 -9.360 16.052 1.562 1.00 12.51 H new ATOM 0 HA SER A 105 -12.116 16.774 2.238 1.00 23.03 H new ATOM 0 HB2 SER A 105 -10.933 17.947 0.384 1.00 0.34 H new ATOM 0 HB3 SER A 105 -10.623 16.423 -0.423 1.00 0.34 H new ATOM 0 HG SER A 105 -12.446 17.536 -1.321 1.00 30.02 H new ATOM 1670 N HIS A 106 -11.392 13.784 0.995 1.00 44.12 N ATOM 1671 CA HIS A 106 -11.959 12.438 0.652 1.00 50.01 C ATOM 1672 C HIS A 106 -11.756 11.390 1.777 1.00 23.41 C ATOM 1673 O HIS A 106 -12.399 10.332 1.763 1.00 14.41 O ATOM 1674 CB HIS A 106 -11.321 11.916 -0.665 1.00 13.53 C ATOM 1675 CG HIS A 106 -11.475 12.834 -1.851 1.00 41.22 C ATOM 1676 ND1 HIS A 106 -12.296 12.559 -2.924 1.00 71.01 N ATOM 1677 CD2 HIS A 106 -10.885 14.014 -2.140 1.00 31.53 C ATOM 1678 CE1 HIS A 106 -12.205 13.527 -3.808 1.00 51.32 C ATOM 1679 NE2 HIS A 106 -11.356 14.422 -3.361 1.00 14.01 N ATOM 0 H HIS A 106 -10.374 13.832 0.943 1.00 44.12 H new ATOM 0 HA HIS A 106 -13.034 12.572 0.528 1.00 50.01 H new ATOM 0 HB2 HIS A 106 -10.259 11.743 -0.493 1.00 13.53 H new ATOM 0 HB3 HIS A 106 -11.766 10.952 -0.910 1.00 13.53 H new ATOM 0 HD2 HIS A 106 -10.172 14.540 -1.522 1.00 31.53 H new ATOM 0 HE1 HIS A 106 -12.739 13.577 -4.745 1.00 51.32 H new ATOM 0 HE2 HIS A 106 -11.090 15.281 -3.843 1.00 14.01 H new ATOM 1688 N GLY A 107 -10.865 11.688 2.737 1.00 50.34 N ATOM 1689 CA GLY A 107 -10.549 10.758 3.840 1.00 13.34 C ATOM 1690 C GLY A 107 -9.248 9.971 3.611 1.00 34.33 C ATOM 1691 O GLY A 107 -8.762 9.874 2.474 1.00 62.43 O ATOM 0 H GLY A 107 -10.349 12.567 2.774 1.00 50.34 H new ATOM 0 HA2 GLY A 107 -10.467 11.321 4.770 1.00 13.34 H new ATOM 0 HA3 GLY A 107 -11.374 10.057 3.964 1.00 13.34 H new ATOM 1695 N TYR A 108 -8.701 9.397 4.709 1.00 64.12 N ATOM 1696 CA TYR A 108 -7.450 8.586 4.694 1.00 23.44 C ATOM 1697 C TYR A 108 -7.518 7.418 3.685 1.00 15.34 C ATOM 1698 O TYR A 108 -6.556 7.156 2.950 1.00 42.34 O ATOM 1699 CB TYR A 108 -7.167 8.031 6.117 1.00 44.12 C ATOM 1700 CG TYR A 108 -5.897 7.164 6.230 1.00 33.31 C ATOM 1701 CD1 TYR A 108 -4.654 7.754 6.436 1.00 32.32 C ATOM 1702 CD2 TYR A 108 -5.942 5.760 6.119 1.00 71.41 C ATOM 1703 CE1 TYR A 108 -3.511 6.992 6.528 1.00 32.33 C ATOM 1704 CE2 TYR A 108 -4.795 4.997 6.208 1.00 50.01 C ATOM 1705 CZ TYR A 108 -3.583 5.620 6.413 1.00 34.15 C ATOM 1706 OH TYR A 108 -2.435 4.870 6.507 1.00 61.14 O ATOM 0 H TYR A 108 -9.114 9.481 5.638 1.00 64.12 H new ATOM 0 HA TYR A 108 -6.640 9.244 4.379 1.00 23.44 H new ATOM 0 HB2 TYR A 108 -7.081 8.869 6.809 1.00 44.12 H new ATOM 0 HB3 TYR A 108 -8.024 7.439 6.438 1.00 44.12 H new ATOM 0 HD1 TYR A 108 -4.585 8.828 6.525 1.00 32.32 H new ATOM 0 HD2 TYR A 108 -6.892 5.271 5.961 1.00 71.41 H new ATOM 0 HE1 TYR A 108 -2.556 7.470 6.691 1.00 32.33 H new ATOM 0 HE2 TYR A 108 -4.847 3.922 6.118 1.00 50.01 H new ATOM 0 HH TYR A 108 -2.535 4.051 5.978 1.00 61.14 H new ATOM 1716 N ASP A 109 -8.662 6.714 3.692 1.00 51.40 N ATOM 1717 CA ASP A 109 -8.882 5.517 2.862 1.00 41.43 C ATOM 1718 C ASP A 109 -8.689 5.809 1.358 1.00 50.42 C ATOM 1719 O ASP A 109 -8.004 5.069 0.651 1.00 21.30 O ATOM 1720 CB ASP A 109 -10.287 4.940 3.134 1.00 43.15 C ATOM 1721 CG ASP A 109 -10.513 4.665 4.632 1.00 13.13 C ATOM 1722 OD1 ASP A 109 -9.958 3.676 5.161 1.00 13.33 O ATOM 1723 OD2 ASP A 109 -11.215 5.461 5.298 1.00 5.41 O ATOM 0 H ASP A 109 -9.462 6.959 4.275 1.00 51.40 H new ATOM 0 HA ASP A 109 -8.131 4.776 3.138 1.00 41.43 H new ATOM 0 HB2 ASP A 109 -11.043 5.639 2.775 1.00 43.15 H new ATOM 0 HB3 ASP A 109 -10.415 4.015 2.571 1.00 43.15 H new ATOM 1728 N ALA A 110 -9.261 6.932 0.907 1.00 52.31 N ATOM 1729 CA ALA A 110 -9.174 7.386 -0.495 1.00 33.44 C ATOM 1730 C ALA A 110 -7.731 7.786 -0.905 1.00 71.22 C ATOM 1731 O ALA A 110 -7.365 7.673 -2.081 1.00 64.33 O ATOM 1732 CB ALA A 110 -10.145 8.551 -0.720 1.00 1.53 C ATOM 0 H ALA A 110 -9.801 7.558 1.504 1.00 52.31 H new ATOM 0 HA ALA A 110 -9.454 6.547 -1.132 1.00 33.44 H new ATOM 0 HB1 ALA A 110 -10.079 8.885 -1.756 1.00 1.53 H new ATOM 0 HB2 ALA A 110 -11.163 8.223 -0.509 1.00 1.53 H new ATOM 0 HB3 ALA A 110 -9.884 9.375 -0.056 1.00 1.53 H new ATOM 1738 N ASP A 111 -6.923 8.253 0.071 1.00 25.23 N ATOM 1739 CA ASP A 111 -5.529 8.702 -0.172 1.00 40.54 C ATOM 1740 C ASP A 111 -4.604 7.525 -0.576 1.00 73.41 C ATOM 1741 O ASP A 111 -3.695 7.685 -1.405 1.00 34.03 O ATOM 1742 CB ASP A 111 -4.980 9.434 1.082 1.00 23.15 C ATOM 1743 CG ASP A 111 -3.647 10.148 0.805 1.00 11.15 C ATOM 1744 OD1 ASP A 111 -3.653 11.089 -0.014 1.00 21.43 O ATOM 1745 OD2 ASP A 111 -2.591 9.754 1.359 1.00 23.11 O ATOM 0 H ASP A 111 -7.214 8.330 1.046 1.00 25.23 H new ATOM 0 HA ASP A 111 -5.542 9.398 -1.011 1.00 40.54 H new ATOM 0 HB2 ASP A 111 -5.715 10.162 1.426 1.00 23.15 H new ATOM 0 HB3 ASP A 111 -4.843 8.714 1.889 1.00 23.15 H new ATOM 1750 N ILE A 112 -4.848 6.350 0.016 1.00 61.43 N ATOM 1751 CA ILE A 112 -4.137 5.100 -0.338 1.00 42.05 C ATOM 1752 C ILE A 112 -4.712 4.474 -1.635 1.00 42.22 C ATOM 1753 O ILE A 112 -3.962 4.042 -2.522 1.00 32.31 O ATOM 1754 CB ILE A 112 -4.227 4.065 0.838 1.00 65.10 C ATOM 1755 CG1 ILE A 112 -3.572 4.636 2.144 1.00 10.04 C ATOM 1756 CG2 ILE A 112 -3.619 2.691 0.449 1.00 72.45 C ATOM 1757 CD1 ILE A 112 -2.092 4.985 2.033 1.00 54.31 C ATOM 0 H ILE A 112 -5.542 6.231 0.754 1.00 61.43 H new ATOM 0 HA ILE A 112 -3.091 5.352 -0.513 1.00 42.05 H new ATOM 0 HB ILE A 112 -5.284 3.896 1.042 1.00 65.10 H new ATOM 0 HG12 ILE A 112 -4.118 5.531 2.443 1.00 10.04 H new ATOM 0 HG13 ILE A 112 -3.697 3.905 2.943 1.00 10.04 H new ATOM 0 HG21 ILE A 112 -3.702 2.005 1.292 1.00 72.45 H new ATOM 0 HG22 ILE A 112 -4.159 2.283 -0.406 1.00 72.45 H new ATOM 0 HG23 ILE A 112 -2.569 2.819 0.187 1.00 72.45 H new ATOM 0 HD11 ILE A 112 -1.736 5.371 2.988 1.00 54.31 H new ATOM 0 HD12 ILE A 112 -1.526 4.091 1.769 1.00 54.31 H new ATOM 0 HD13 ILE A 112 -1.954 5.743 1.262 1.00 54.31 H new ATOM 1769 N ASN A 113 -6.053 4.445 -1.733 1.00 43.31 N ATOM 1770 CA ASN A 113 -6.781 3.823 -2.870 1.00 5.23 C ATOM 1771 C ASN A 113 -6.527 4.558 -4.210 1.00 31.24 C ATOM 1772 O ASN A 113 -6.620 3.950 -5.279 1.00 54.15 O ATOM 1773 CB ASN A 113 -8.292 3.743 -2.560 1.00 54.12 C ATOM 1774 CG ASN A 113 -8.619 2.800 -1.398 1.00 35.33 C ATOM 1775 OD1 ASN A 113 -7.931 1.808 -1.162 1.00 41.53 O ATOM 1776 ND2 ASN A 113 -9.673 3.096 -0.660 1.00 15.33 N ATOM 0 H ASN A 113 -6.669 4.851 -1.029 1.00 43.31 H new ATOM 0 HA ASN A 113 -6.391 2.812 -2.991 1.00 5.23 H new ATOM 0 HB2 ASN A 113 -8.662 4.741 -2.325 1.00 54.12 H new ATOM 0 HB3 ASN A 113 -8.822 3.408 -3.452 1.00 54.12 H new ATOM 0 HD21 ASN A 113 -9.931 2.497 0.124 1.00 15.33 H new ATOM 0 HD22 ASN A 113 -10.229 3.924 -0.874 1.00 15.33 H new ATOM 1783 N SER A 114 -6.238 5.873 -4.134 1.00 11.30 N ATOM 1784 CA SER A 114 -5.853 6.693 -5.317 1.00 12.44 C ATOM 1785 C SER A 114 -4.595 6.118 -6.025 1.00 43.24 C ATOM 1786 O SER A 114 -4.510 6.129 -7.256 1.00 42.43 O ATOM 1787 CB SER A 114 -5.597 8.161 -4.905 1.00 40.01 C ATOM 1788 OG SER A 114 -4.452 8.280 -4.068 1.00 72.23 O ATOM 0 H SER A 114 -6.262 6.400 -3.261 1.00 11.30 H new ATOM 0 HA SER A 114 -6.686 6.659 -6.020 1.00 12.44 H new ATOM 0 HB2 SER A 114 -5.460 8.771 -5.798 1.00 40.01 H new ATOM 0 HB3 SER A 114 -6.471 8.551 -4.383 1.00 40.01 H new ATOM 0 HG SER A 114 -4.655 7.913 -3.182 1.00 72.23 H new ATOM 1794 N TYR A 115 -3.640 5.591 -5.224 1.00 14.35 N ATOM 1795 CA TYR A 115 -2.434 4.905 -5.735 1.00 31.43 C ATOM 1796 C TYR A 115 -2.814 3.572 -6.438 1.00 24.04 C ATOM 1797 O TYR A 115 -2.254 3.229 -7.486 1.00 14.12 O ATOM 1798 CB TYR A 115 -1.442 4.667 -4.544 1.00 34.23 C ATOM 1799 CG TYR A 115 -0.541 3.428 -4.680 1.00 32.35 C ATOM 1800 CD1 TYR A 115 0.487 3.379 -5.620 1.00 22.10 C ATOM 1801 CD2 TYR A 115 -0.738 2.299 -3.877 1.00 44.42 C ATOM 1802 CE1 TYR A 115 1.280 2.260 -5.748 1.00 73.22 C ATOM 1803 CE2 TYR A 115 0.055 1.179 -4.006 1.00 50.14 C ATOM 1804 CZ TYR A 115 1.058 1.165 -4.937 1.00 42.54 C ATOM 1805 OH TYR A 115 1.863 0.057 -5.049 1.00 55.01 O ATOM 0 H TYR A 115 -3.685 5.630 -4.206 1.00 14.35 H new ATOM 0 HA TYR A 115 -1.944 5.530 -6.482 1.00 31.43 H new ATOM 0 HB2 TYR A 115 -0.808 5.548 -4.438 1.00 34.23 H new ATOM 0 HB3 TYR A 115 -2.019 4.578 -3.624 1.00 34.23 H new ATOM 0 HD1 TYR A 115 0.665 4.232 -6.258 1.00 22.10 H new ATOM 0 HD2 TYR A 115 -1.528 2.305 -3.141 1.00 44.42 H new ATOM 0 HE1 TYR A 115 2.073 2.239 -6.481 1.00 73.22 H new ATOM 0 HE2 TYR A 115 -0.114 0.318 -3.376 1.00 50.14 H new ATOM 0 HH TYR A 115 1.599 -0.461 -5.838 1.00 55.01 H new ATOM 1815 N ILE A 116 -3.782 2.855 -5.852 1.00 43.10 N ATOM 1816 CA ILE A 116 -4.246 1.543 -6.361 1.00 1.42 C ATOM 1817 C ILE A 116 -4.965 1.696 -7.724 1.00 1.13 C ATOM 1818 O ILE A 116 -4.850 0.844 -8.613 1.00 74.45 O ATOM 1819 CB ILE A 116 -5.191 0.854 -5.310 1.00 55.01 C ATOM 1820 CG1 ILE A 116 -4.475 0.737 -3.928 1.00 22.10 C ATOM 1821 CG2 ILE A 116 -5.692 -0.533 -5.790 1.00 32.33 C ATOM 1822 CD1 ILE A 116 -3.289 -0.225 -3.874 1.00 1.53 C ATOM 0 H ILE A 116 -4.270 3.162 -5.011 1.00 43.10 H new ATOM 0 HA ILE A 116 -3.373 0.909 -6.514 1.00 1.42 H new ATOM 0 HB ILE A 116 -6.071 1.488 -5.200 1.00 55.01 H new ATOM 0 HG12 ILE A 116 -4.129 1.728 -3.634 1.00 22.10 H new ATOM 0 HG13 ILE A 116 -5.208 0.422 -3.185 1.00 22.10 H new ATOM 0 HG21 ILE A 116 -6.341 -0.968 -5.030 1.00 32.33 H new ATOM 0 HG22 ILE A 116 -6.249 -0.417 -6.720 1.00 32.33 H new ATOM 0 HG23 ILE A 116 -4.839 -1.190 -5.958 1.00 32.33 H new ATOM 0 HD11 ILE A 116 -2.868 -0.227 -2.869 1.00 1.53 H new ATOM 0 HD12 ILE A 116 -3.624 -1.230 -4.130 1.00 1.53 H new ATOM 0 HD13 ILE A 116 -2.528 0.096 -4.585 1.00 1.53 H new ATOM 1834 N ASP A 117 -5.672 2.826 -7.875 1.00 64.53 N ATOM 1835 CA ASP A 117 -6.415 3.168 -9.099 1.00 20.32 C ATOM 1836 C ASP A 117 -5.490 3.793 -10.190 1.00 73.42 C ATOM 1837 O ASP A 117 -5.908 3.963 -11.345 1.00 1.03 O ATOM 1838 CB ASP A 117 -7.579 4.125 -8.720 1.00 11.22 C ATOM 1839 CG ASP A 117 -8.565 4.368 -9.876 1.00 23.24 C ATOM 1840 OD1 ASP A 117 -9.414 3.488 -10.136 1.00 62.10 O ATOM 1841 OD2 ASP A 117 -8.476 5.422 -10.542 1.00 62.21 O ATOM 0 H ASP A 117 -5.745 3.535 -7.145 1.00 64.53 H new ATOM 0 HA ASP A 117 -6.820 2.256 -9.537 1.00 20.32 H new ATOM 0 HB2 ASP A 117 -8.121 3.709 -7.870 1.00 11.22 H new ATOM 0 HB3 ASP A 117 -7.165 5.080 -8.397 1.00 11.22 H new ATOM 1846 N SER A 118 -4.218 4.119 -9.842 1.00 11.24 N ATOM 1847 CA SER A 118 -3.276 4.770 -10.792 1.00 1.33 C ATOM 1848 C SER A 118 -2.809 3.787 -11.892 1.00 21.50 C ATOM 1849 O SER A 118 -2.484 2.621 -11.609 1.00 24.11 O ATOM 1850 CB SER A 118 -2.040 5.345 -10.049 1.00 40.41 C ATOM 1851 OG SER A 118 -2.400 6.393 -9.156 1.00 51.32 O ATOM 0 H SER A 118 -3.823 3.944 -8.918 1.00 11.24 H new ATOM 0 HA SER A 118 -3.818 5.589 -11.265 1.00 1.33 H new ATOM 0 HB2 SER A 118 -1.547 4.548 -9.493 1.00 40.41 H new ATOM 0 HB3 SER A 118 -1.320 5.719 -10.777 1.00 40.41 H new ATOM 0 HG SER A 118 -3.156 6.106 -8.602 1.00 51.32 H new ATOM 1857 N ALA A 119 -2.781 4.284 -13.145 1.00 4.33 N ATOM 1858 CA ALA A 119 -2.317 3.511 -14.323 1.00 12.30 C ATOM 1859 C ALA A 119 -0.846 3.056 -14.182 1.00 64.14 C ATOM 1860 O ALA A 119 -0.504 1.943 -14.566 1.00 33.24 O ATOM 1861 CB ALA A 119 -2.494 4.341 -15.602 1.00 21.25 C ATOM 0 H ALA A 119 -3.079 5.233 -13.373 1.00 4.33 H new ATOM 0 HA ALA A 119 -2.930 2.612 -14.384 1.00 12.30 H new ATOM 0 HB1 ALA A 119 -2.150 3.764 -16.461 1.00 21.25 H new ATOM 0 HB2 ALA A 119 -3.547 4.591 -15.731 1.00 21.25 H new ATOM 0 HB3 ALA A 119 -1.910 5.258 -15.524 1.00 21.25 H new ATOM 1867 N GLU A 120 -0.002 3.929 -13.601 1.00 31.23 N ATOM 1868 CA GLU A 120 1.440 3.655 -13.377 1.00 25.51 C ATOM 1869 C GLU A 120 1.669 2.401 -12.495 1.00 44.45 C ATOM 1870 O GLU A 120 2.581 1.603 -12.745 1.00 70.24 O ATOM 1871 CB GLU A 120 2.098 4.895 -12.721 1.00 54.14 C ATOM 1872 CG GLU A 120 3.614 4.773 -12.477 1.00 62.10 C ATOM 1873 CD GLU A 120 4.211 6.027 -11.824 1.00 52.24 C ATOM 1874 OE1 GLU A 120 3.950 6.260 -10.630 1.00 25.24 O ATOM 1875 OE2 GLU A 120 4.946 6.785 -12.492 1.00 42.50 O ATOM 0 H GLU A 120 -0.296 4.848 -13.271 1.00 31.23 H new ATOM 0 HA GLU A 120 1.899 3.453 -14.345 1.00 25.51 H new ATOM 0 HB2 GLU A 120 1.916 5.763 -13.355 1.00 54.14 H new ATOM 0 HB3 GLU A 120 1.606 5.088 -11.768 1.00 54.14 H new ATOM 0 HG2 GLU A 120 3.807 3.910 -11.840 1.00 62.10 H new ATOM 0 HG3 GLU A 120 4.117 4.588 -13.426 1.00 62.10 H new ATOM 1882 N TYR A 121 0.822 2.240 -11.465 1.00 12.23 N ATOM 1883 CA TYR A 121 0.851 1.065 -10.577 1.00 3.54 C ATOM 1884 C TYR A 121 0.431 -0.213 -11.349 1.00 23.50 C ATOM 1885 O TYR A 121 1.159 -1.210 -11.359 1.00 54.45 O ATOM 1886 CB TYR A 121 -0.077 1.302 -9.353 1.00 63.33 C ATOM 1887 CG TYR A 121 -0.245 0.095 -8.405 1.00 22.33 C ATOM 1888 CD1 TYR A 121 0.832 -0.733 -8.082 1.00 22.53 C ATOM 1889 CD2 TYR A 121 -1.473 -0.210 -7.823 1.00 44.20 C ATOM 1890 CE1 TYR A 121 0.690 -1.806 -7.232 1.00 53.42 C ATOM 1891 CE2 TYR A 121 -1.615 -1.285 -6.966 1.00 60.33 C ATOM 1892 CZ TYR A 121 -0.530 -2.079 -6.675 1.00 25.00 C ATOM 1893 OH TYR A 121 -0.661 -3.144 -5.813 1.00 52.42 O ATOM 0 H TYR A 121 0.099 2.919 -11.224 1.00 12.23 H new ATOM 0 HA TYR A 121 1.870 0.920 -10.218 1.00 3.54 H new ATOM 0 HB2 TYR A 121 0.315 2.141 -8.779 1.00 63.33 H new ATOM 0 HB3 TYR A 121 -1.061 1.596 -9.717 1.00 63.33 H new ATOM 0 HD1 TYR A 121 1.802 -0.526 -8.510 1.00 22.53 H new ATOM 0 HD2 TYR A 121 -2.332 0.406 -8.046 1.00 44.20 H new ATOM 0 HE1 TYR A 121 1.540 -2.432 -7.005 1.00 53.42 H new ATOM 0 HE2 TYR A 121 -2.577 -1.501 -6.525 1.00 60.33 H new ATOM 0 HH TYR A 121 -0.419 -3.972 -6.277 1.00 52.42 H new ATOM 1903 N THR A 122 -0.731 -0.139 -12.018 1.00 64.22 N ATOM 1904 CA THR A 122 -1.343 -1.289 -12.729 1.00 11.31 C ATOM 1905 C THR A 122 -0.444 -1.800 -13.896 1.00 0.32 C ATOM 1906 O THR A 122 -0.360 -3.007 -14.152 1.00 13.42 O ATOM 1907 CB THR A 122 -2.767 -0.897 -13.264 1.00 51.44 C ATOM 1908 OG1 THR A 122 -3.564 -0.370 -12.182 1.00 11.14 O ATOM 1909 CG2 THR A 122 -3.523 -2.086 -13.888 1.00 51.04 C ATOM 0 H THR A 122 -1.279 0.719 -12.085 1.00 64.22 H new ATOM 0 HA THR A 122 -1.440 -2.106 -12.014 1.00 11.31 H new ATOM 0 HB THR A 122 -2.612 -0.151 -14.043 1.00 51.44 H new ATOM 0 HG1 THR A 122 -3.258 0.534 -11.961 1.00 11.14 H new ATOM 0 HG21 THR A 122 -4.500 -1.752 -14.239 1.00 51.04 H new ATOM 0 HG22 THR A 122 -2.951 -2.481 -14.728 1.00 51.04 H new ATOM 0 HG23 THR A 122 -3.654 -2.867 -13.139 1.00 51.04 H new ATOM 1917 N GLU A 123 0.227 -0.866 -14.587 1.00 33.24 N ATOM 1918 CA GLU A 123 1.183 -1.187 -15.670 1.00 33.41 C ATOM 1919 C GLU A 123 2.535 -1.720 -15.124 1.00 31.00 C ATOM 1920 O GLU A 123 2.929 -2.853 -15.417 1.00 15.20 O ATOM 1921 CB GLU A 123 1.420 0.068 -16.558 1.00 54.34 C ATOM 1922 CG GLU A 123 0.183 0.538 -17.351 1.00 32.24 C ATOM 1923 CD GLU A 123 0.441 1.836 -18.134 1.00 34.41 C ATOM 1924 OE1 GLU A 123 0.959 1.769 -19.273 1.00 73.11 O ATOM 1925 OE2 GLU A 123 0.147 2.933 -17.606 1.00 71.32 O ATOM 0 H GLU A 123 0.126 0.134 -14.415 1.00 33.24 H new ATOM 0 HA GLU A 123 0.742 -1.983 -16.270 1.00 33.41 H new ATOM 0 HB2 GLU A 123 1.761 0.886 -15.924 1.00 54.34 H new ATOM 0 HB3 GLU A 123 2.225 -0.147 -17.261 1.00 54.34 H new ATOM 0 HG2 GLU A 123 -0.119 -0.247 -18.045 1.00 32.24 H new ATOM 0 HG3 GLU A 123 -0.648 0.692 -16.663 1.00 32.24 H new ATOM 1932 N SER A 124 3.237 -0.893 -14.323 1.00 25.24 N ATOM 1933 CA SER A 124 4.663 -1.144 -13.966 1.00 20.21 C ATOM 1934 C SER A 124 4.855 -2.117 -12.772 1.00 12.02 C ATOM 1935 O SER A 124 5.800 -2.914 -12.777 1.00 35.42 O ATOM 1936 CB SER A 124 5.356 0.195 -13.646 1.00 32.24 C ATOM 1937 OG SER A 124 6.731 0.021 -13.331 1.00 51.54 O ATOM 0 H SER A 124 2.848 -0.046 -13.908 1.00 25.24 H new ATOM 0 HA SER A 124 5.113 -1.626 -14.833 1.00 20.21 H new ATOM 0 HB2 SER A 124 5.262 0.865 -14.500 1.00 32.24 H new ATOM 0 HB3 SER A 124 4.850 0.674 -12.808 1.00 32.24 H new ATOM 0 HG SER A 124 7.135 0.892 -13.136 1.00 51.54 H new ATOM 1943 N PHE A 125 3.978 -2.053 -11.752 1.00 23.31 N ATOM 1944 CA PHE A 125 4.047 -2.977 -10.582 1.00 51.33 C ATOM 1945 C PHE A 125 3.018 -4.128 -10.695 1.00 2.41 C ATOM 1946 O PHE A 125 3.098 -5.090 -9.936 1.00 22.13 O ATOM 1947 CB PHE A 125 3.792 -2.217 -9.256 1.00 63.24 C ATOM 1948 CG PHE A 125 4.788 -1.111 -8.904 1.00 60.53 C ATOM 1949 CD1 PHE A 125 6.147 -1.391 -8.745 1.00 72.44 C ATOM 1950 CD2 PHE A 125 4.358 0.201 -8.670 1.00 73.44 C ATOM 1951 CE1 PHE A 125 7.037 -0.403 -8.370 1.00 14.11 C ATOM 1952 CE2 PHE A 125 5.254 1.189 -8.302 1.00 75.13 C ATOM 1953 CZ PHE A 125 6.590 0.885 -8.148 1.00 62.11 C ATOM 0 H PHE A 125 3.214 -1.379 -11.706 1.00 23.31 H new ATOM 0 HA PHE A 125 5.053 -3.397 -10.581 1.00 51.33 H new ATOM 0 HB2 PHE A 125 2.795 -1.778 -9.300 1.00 63.24 H new ATOM 0 HB3 PHE A 125 3.785 -2.942 -8.442 1.00 63.24 H new ATOM 0 HD1 PHE A 125 6.507 -2.394 -8.918 1.00 72.44 H new ATOM 0 HD2 PHE A 125 3.312 0.445 -8.778 1.00 73.44 H new ATOM 0 HE1 PHE A 125 8.084 -0.638 -8.250 1.00 14.11 H new ATOM 0 HE2 PHE A 125 4.907 2.198 -8.135 1.00 75.13 H new ATOM 0 HZ PHE A 125 7.288 1.655 -7.853 1.00 62.11 H new ATOM 1963 N GLY A 126 2.055 -4.005 -11.633 1.00 14.34 N ATOM 1964 CA GLY A 126 1.021 -5.039 -11.860 1.00 14.10 C ATOM 1965 C GLY A 126 -0.013 -5.210 -10.721 1.00 23.24 C ATOM 1966 O GLY A 126 0.147 -4.675 -9.617 1.00 4.51 O ATOM 0 H GLY A 126 1.972 -3.196 -12.248 1.00 14.34 H new ATOM 0 HA2 GLY A 126 0.487 -4.798 -12.779 1.00 14.10 H new ATOM 0 HA3 GLY A 126 1.518 -5.995 -12.022 1.00 14.10 H new ATOM 1970 N ASP A 127 -1.106 -5.939 -11.022 1.00 52.30 N ATOM 1971 CA ASP A 127 -2.177 -6.271 -10.040 1.00 75.04 C ATOM 1972 C ASP A 127 -1.879 -7.593 -9.268 1.00 13.03 C ATOM 1973 O ASP A 127 -2.301 -7.774 -8.121 1.00 64.11 O ATOM 1974 CB ASP A 127 -3.551 -6.342 -10.765 1.00 1.40 C ATOM 1975 CG ASP A 127 -3.668 -7.498 -11.781 1.00 22.00 C ATOM 1976 OD1 ASP A 127 -2.878 -7.539 -12.748 1.00 5.51 O ATOM 1977 OD2 ASP A 127 -4.546 -8.369 -11.616 1.00 33.13 O ATOM 0 H ASP A 127 -1.279 -6.319 -11.953 1.00 52.30 H new ATOM 0 HA ASP A 127 -2.208 -5.477 -9.294 1.00 75.04 H new ATOM 0 HB2 ASP A 127 -4.339 -6.447 -10.019 1.00 1.40 H new ATOM 0 HB3 ASP A 127 -3.726 -5.399 -11.282 1.00 1.40 H new ATOM 1982 N ASN A 128 -1.173 -8.522 -9.932 1.00 31.12 N ATOM 1983 CA ASN A 128 -0.801 -9.845 -9.361 1.00 54.11 C ATOM 1984 C ASN A 128 0.677 -9.891 -8.900 1.00 5.44 C ATOM 1985 O ASN A 128 1.167 -10.938 -8.484 1.00 13.12 O ATOM 1986 CB ASN A 128 -1.089 -10.956 -10.413 1.00 13.35 C ATOM 1987 CG ASN A 128 -2.578 -11.087 -10.774 1.00 71.01 C ATOM 1988 OD1 ASN A 128 -3.466 -10.917 -9.802 1.00 3.24 O flip ATOM 1989 ND2 ASN A 128 -2.930 -11.363 -11.917 1.00 24.40 N flip ATOM 0 H ASN A 128 -0.838 -8.385 -10.886 1.00 31.12 H new ATOM 0 HA ASN A 128 -1.407 -10.015 -8.471 1.00 54.11 H new ATOM 0 HB2 ASN A 128 -0.521 -10.744 -11.319 1.00 13.35 H new ATOM 0 HB3 ASN A 128 -0.731 -11.911 -10.029 1.00 13.35 H new ATOM 0 HD21 ASN A 128 -2.231 -11.489 -12.649 1.00 24.40 H new ATOM 0 HD22 ASN A 128 -3.921 -11.466 -12.135 1.00 24.40 H new ATOM 1996 N VAL A 129 1.365 -8.736 -8.950 1.00 62.10 N ATOM 1997 CA VAL A 129 2.804 -8.611 -8.599 1.00 33.54 C ATOM 1998 C VAL A 129 2.997 -7.614 -7.421 1.00 21.10 C ATOM 1999 O VAL A 129 2.279 -6.610 -7.322 1.00 75.42 O ATOM 2000 CB VAL A 129 3.660 -8.165 -9.846 1.00 33.33 C ATOM 2001 CG1 VAL A 129 5.171 -8.087 -9.515 1.00 44.31 C ATOM 2002 CG2 VAL A 129 3.412 -9.084 -11.064 1.00 61.42 C ATOM 0 H VAL A 129 0.941 -7.853 -9.236 1.00 62.10 H new ATOM 0 HA VAL A 129 3.156 -9.593 -8.284 1.00 33.54 H new ATOM 0 HB VAL A 129 3.329 -7.160 -10.109 1.00 33.33 H new ATOM 0 HG11 VAL A 129 5.722 -7.776 -10.402 1.00 44.31 H new ATOM 0 HG12 VAL A 129 5.332 -7.363 -8.716 1.00 44.31 H new ATOM 0 HG13 VAL A 129 5.524 -9.067 -9.193 1.00 44.31 H new ATOM 0 HG21 VAL A 129 4.019 -8.746 -11.904 1.00 61.42 H new ATOM 0 HG22 VAL A 129 3.684 -10.108 -10.809 1.00 61.42 H new ATOM 0 HG23 VAL A 129 2.358 -9.047 -11.339 1.00 61.42 H new ATOM 2012 N VAL A 130 3.960 -7.922 -6.524 1.00 12.45 N ATOM 2013 CA VAL A 130 4.279 -7.100 -5.333 1.00 11.35 C ATOM 2014 C VAL A 130 5.111 -5.850 -5.751 1.00 70.33 C ATOM 2015 O VAL A 130 6.110 -5.992 -6.475 1.00 33.31 O ATOM 2016 CB VAL A 130 5.100 -7.942 -4.265 1.00 72.15 C ATOM 2017 CG1 VAL A 130 5.453 -7.107 -2.996 1.00 33.20 C ATOM 2018 CG2 VAL A 130 4.351 -9.240 -3.878 1.00 22.50 C ATOM 0 H VAL A 130 4.543 -8.755 -6.606 1.00 12.45 H new ATOM 0 HA VAL A 130 3.339 -6.782 -4.883 1.00 11.35 H new ATOM 0 HB VAL A 130 6.041 -8.218 -4.741 1.00 72.15 H new ATOM 0 HG11 VAL A 130 6.014 -7.727 -2.297 1.00 33.20 H new ATOM 0 HG12 VAL A 130 6.057 -6.246 -3.283 1.00 33.20 H new ATOM 0 HG13 VAL A 130 4.535 -6.763 -2.520 1.00 33.20 H new ATOM 0 HG21 VAL A 130 4.938 -9.794 -3.146 1.00 22.50 H new ATOM 0 HG22 VAL A 130 3.382 -8.987 -3.449 1.00 22.50 H new ATOM 0 HG23 VAL A 130 4.205 -9.855 -4.766 1.00 22.50 H new ATOM 2028 N PRO A 131 4.707 -4.607 -5.305 1.00 24.45 N ATOM 2029 CA PRO A 131 5.452 -3.355 -5.604 1.00 73.15 C ATOM 2030 C PRO A 131 6.844 -3.288 -4.927 1.00 61.43 C ATOM 2031 O PRO A 131 7.126 -4.011 -3.963 1.00 14.15 O ATOM 2032 CB PRO A 131 4.512 -2.219 -5.078 1.00 33.33 C ATOM 2033 CG PRO A 131 3.183 -2.884 -4.868 1.00 30.52 C ATOM 2034 CD PRO A 131 3.492 -4.314 -4.502 1.00 62.12 C ATOM 0 HA PRO A 131 5.674 -3.275 -6.668 1.00 73.15 H new ATOM 0 HB2 PRO A 131 4.891 -1.791 -4.150 1.00 33.33 H new ATOM 0 HB3 PRO A 131 4.437 -1.404 -5.798 1.00 33.33 H new ATOM 0 HG2 PRO A 131 2.620 -2.391 -4.076 1.00 30.52 H new ATOM 0 HG3 PRO A 131 2.574 -2.834 -5.771 1.00 30.52 H new ATOM 0 HD2 PRO A 131 3.677 -4.427 -3.434 1.00 62.12 H new ATOM 0 HD3 PRO A 131 2.669 -4.983 -4.755 1.00 62.12 H new ATOM 2042 N TYR A 132 7.717 -2.427 -5.469 1.00 74.13 N ATOM 2043 CA TYR A 132 9.089 -2.206 -4.955 1.00 25.33 C ATOM 2044 C TYR A 132 9.490 -0.712 -5.030 1.00 24.41 C ATOM 2045 O TYR A 132 8.800 0.107 -5.650 1.00 52.34 O ATOM 2046 CB TYR A 132 10.100 -3.109 -5.733 1.00 72.31 C ATOM 2047 CG TYR A 132 9.943 -3.074 -7.266 1.00 12.42 C ATOM 2048 CD1 TYR A 132 10.546 -2.077 -8.044 1.00 64.43 C ATOM 2049 CD2 TYR A 132 9.175 -4.041 -7.937 1.00 15.41 C ATOM 2050 CE1 TYR A 132 10.390 -2.049 -9.418 1.00 52.42 C ATOM 2051 CE2 TYR A 132 9.021 -4.012 -9.309 1.00 53.54 C ATOM 2052 CZ TYR A 132 9.629 -3.018 -10.043 1.00 12.33 C ATOM 2053 OH TYR A 132 9.480 -2.991 -11.409 1.00 54.13 O ATOM 0 H TYR A 132 7.495 -1.856 -6.284 1.00 74.13 H new ATOM 0 HA TYR A 132 9.113 -2.486 -3.902 1.00 25.33 H new ATOM 0 HB2 TYR A 132 11.114 -2.800 -5.478 1.00 72.31 H new ATOM 0 HB3 TYR A 132 9.985 -4.138 -5.392 1.00 72.31 H new ATOM 0 HD1 TYR A 132 11.143 -1.317 -7.562 1.00 64.43 H new ATOM 0 HD2 TYR A 132 8.695 -4.823 -7.368 1.00 15.41 H new ATOM 0 HE1 TYR A 132 10.862 -1.272 -10.001 1.00 52.42 H new ATOM 0 HE2 TYR A 132 8.426 -4.765 -9.804 1.00 53.54 H new ATOM 0 HH TYR A 132 8.917 -3.742 -11.692 1.00 54.13 H new ATOM 2063 N PHE A 133 10.618 -0.384 -4.382 1.00 14.21 N ATOM 2064 CA PHE A 133 11.249 0.946 -4.473 1.00 5.34 C ATOM 2065 C PHE A 133 11.914 1.123 -5.866 1.00 52.12 C ATOM 2066 O PHE A 133 12.509 0.173 -6.398 1.00 60.13 O ATOM 2067 CB PHE A 133 12.297 1.104 -3.332 1.00 51.20 C ATOM 2068 CG PHE A 133 12.976 2.481 -3.257 1.00 3.14 C ATOM 2069 CD1 PHE A 133 12.355 3.548 -2.604 1.00 24.54 C ATOM 2070 CD2 PHE A 133 14.229 2.710 -3.838 1.00 4.42 C ATOM 2071 CE1 PHE A 133 12.958 4.793 -2.539 1.00 75.24 C ATOM 2072 CE2 PHE A 133 14.828 3.955 -3.773 1.00 2.21 C ATOM 2073 CZ PHE A 133 14.193 4.996 -3.122 1.00 0.41 C ATOM 0 H PHE A 133 11.121 -1.034 -3.778 1.00 14.21 H new ATOM 0 HA PHE A 133 10.490 1.720 -4.358 1.00 5.34 H new ATOM 0 HB2 PHE A 133 11.806 0.906 -2.379 1.00 51.20 H new ATOM 0 HB3 PHE A 133 13.067 0.343 -3.459 1.00 51.20 H new ATOM 0 HD1 PHE A 133 11.390 3.400 -2.143 1.00 24.54 H new ATOM 0 HD2 PHE A 133 14.736 1.902 -4.345 1.00 4.42 H new ATOM 0 HE1 PHE A 133 12.461 5.607 -2.031 1.00 75.24 H new ATOM 0 HE2 PHE A 133 15.793 4.114 -4.231 1.00 2.21 H new ATOM 0 HZ PHE A 133 14.662 5.967 -3.069 1.00 0.41 H new