USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 795 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 99 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 126 HIS : no HE2:sc= -0.724 K(o=-0.72,f=-2.8!) USER MOD Set 2.1: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 82 GLN : amide:sc= -0.333 X(o=-0.33,f=0) USER MOD Set 3.1: A 29 TYR OH : rot 50:sc= 1.63 USER MOD Set 3.2: A 76 GLN : amide:sc= -0.542 X(o=1.1,f=1.2) USER MOD Set 4.1: A 61 SER OG : rot 68:sc= 0.789 USER MOD Set 4.2: A 62 GLN : amide:sc= 1.87 K(o=4,f=2.9) USER MOD Set 4.3: A 68 SER OG : rot -65:sc= 1.31 USER MOD Set 5.1: A 58 MET CE :methyl 134:sc= -1.12 (180deg=-3.1!) USER MOD Set 5.2: A 98 THR OG1 : rot -150:sc= -0.0178 USER MOD Set 5.3: A 104 SER OG : rot 180:sc= -0.185 USER MOD Set 5.4: A 127 SER OG : rot -110:sc= 0.209 USER MOD Set 6.1: A 38 THR OG1 : rot 102:sc= 2.15 USER MOD Set 6.2: A 40 SER OG : rot -70:sc= 1.16 USER MOD Set 6.3: A 47 GLN : amide:sc= -1.43 K(o=1.9,f=-2!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.239 K(o=-0.24,f=-0.9) USER MOD Single : A 42 SER OG : rot -84:sc= 0.468 USER MOD Single : A 43 LYS NZ :NH3+ 165:sc= 1.11 (180deg=0.809) USER MOD Single : A 45 GLN : amide:sc= 0.56 K(o=0.56,f=-0.05) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= -0.025 (180deg=-0.231) USER MOD Single : A 57 HIS : no HE2:sc= -0.285 X(o=-0.28,f=-0.18) USER MOD Single : A 63 SER OG : rot -101:sc= -1.12 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0283 USER MOD Single : A 69 LYS NZ :NH3+ 162:sc= -0.0483 (180deg=-0.301) USER MOD Single : A 70 GLN : amide:sc= -1.11! X(o=-1.1!,f=-0.92) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -90:sc= 0.583 USER MOD Single : A 85 ASN :FLIP amide:sc= -0.279 F(o=-1.2,f=-0.28) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -0.0323 F(o=-1.4!,f=-0.032) USER MOD Single : A 103 SER OG : rot -101:sc= 0.737 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.0428 F(o=-1.1,f=-0.043) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -41:sc= 0.235 USER MOD Single : A 116 ASN : amide:sc= -0.852 X(o=-0.85,f=-0.65) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HE2:sc= 0.71 K(o=0.71,f=-2.3!) USER MOD Single : A 120 SER OG : rot 166:sc= -0.966 USER MOD Single : A 122 ASN : amide:sc= -0.405 K(o=-0.41,f=-1.5) USER MOD Single : A 124 MET CE :methyl -151:sc= -0.364 (180deg=-1.39!) USER MOD Single : A 131 THR OG1 : rot -71:sc= 0.203 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -7.459 -1.805 11.382 1.00 0.00 N ATOM 24 CA LEU A 26 -6.177 -1.459 10.786 1.00 0.00 C ATOM 25 C LEU A 26 -6.383 -0.532 9.598 1.00 0.00 C ATOM 26 O LEU A 26 -6.318 -0.959 8.452 1.00 0.00 O ATOM 27 CB LEU A 26 -5.428 -2.718 10.335 1.00 0.00 C ATOM 28 CG LEU A 26 -5.058 -3.704 11.442 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.404 -4.941 10.849 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.130 -3.051 12.453 1.00 0.00 C ATOM 0 HA LEU A 26 -5.579 -0.949 11.541 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.042 -3.239 9.600 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.514 -2.412 9.827 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.972 -4.003 11.956 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.146 -5.635 11.649 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.097 -5.424 10.160 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.500 -4.653 10.313 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.878 -3.770 13.233 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.218 -2.725 11.952 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.627 -2.190 12.900 1.00 0.00 H new ATOM 42 N SER A 27 -6.646 0.732 9.872 1.00 0.00 N ATOM 43 CA SER A 27 -6.827 1.710 8.814 1.00 0.00 C ATOM 44 C SER A 27 -5.707 2.738 8.881 1.00 0.00 C ATOM 45 O SER A 27 -5.171 3.001 9.958 1.00 0.00 O ATOM 46 CB SER A 27 -8.183 2.397 8.963 1.00 0.00 C ATOM 47 OG SER A 27 -9.218 1.441 9.140 1.00 0.00 O ATOM 0 H SER A 27 -6.739 1.106 10.816 1.00 0.00 H new ATOM 0 HA SER A 27 -6.797 1.208 7.847 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.160 3.076 9.816 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.388 3.002 8.080 1.00 0.00 H new ATOM 0 HG SER A 27 -10.077 1.903 9.235 1.00 0.00 H new ATOM 53 N TRP A 28 -5.355 3.326 7.744 1.00 0.00 N ATOM 54 CA TRP A 28 -4.254 4.289 7.703 1.00 0.00 C ATOM 55 C TRP A 28 -4.667 5.657 8.255 1.00 0.00 C ATOM 56 O TRP A 28 -4.049 6.677 7.951 1.00 0.00 O ATOM 57 CB TRP A 28 -3.668 4.412 6.286 1.00 0.00 C ATOM 58 CG TRP A 28 -4.654 4.755 5.200 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.821 5.453 5.324 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.534 4.430 3.807 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.437 5.570 4.102 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.666 4.953 3.155 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.581 3.745 3.048 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.872 4.814 1.786 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.786 3.607 1.687 1.00 0.00 C ATOM 66 CH2 TRP A 28 -4.922 4.140 1.068 1.00 0.00 C ATOM 0 H TRP A 28 -5.808 3.158 6.846 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.470 3.904 8.355 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.890 5.175 6.299 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.185 3.469 6.029 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.205 5.855 6.250 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.325 6.041 3.929 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.700 3.331 3.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.750 5.223 1.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.056 3.078 1.092 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.052 4.017 0.003 1.00 0.00 H new ATOM 77 N TYR A 29 -5.717 5.665 9.067 1.00 0.00 N ATOM 78 CA TYR A 29 -6.129 6.861 9.782 1.00 0.00 C ATOM 79 C TYR A 29 -6.109 6.605 11.286 1.00 0.00 C ATOM 80 O TYR A 29 -6.467 7.477 12.080 1.00 0.00 O ATOM 81 CB TYR A 29 -7.529 7.305 9.356 1.00 0.00 C ATOM 82 CG TYR A 29 -7.630 7.706 7.899 1.00 0.00 C ATOM 83 CD1 TYR A 29 -6.838 8.724 7.385 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.514 7.064 7.038 1.00 0.00 C ATOM 85 CE1 TYR A 29 -6.920 9.090 6.059 1.00 0.00 C ATOM 86 CE2 TYR A 29 -8.602 7.428 5.709 1.00 0.00 C ATOM 87 CZ TYR A 29 -7.801 8.440 5.224 1.00 0.00 C ATOM 88 OH TYR A 29 -7.873 8.798 3.899 1.00 0.00 O ATOM 0 H TYR A 29 -6.301 4.848 9.246 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.426 7.657 9.538 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.231 6.494 9.549 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.837 8.147 9.976 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.146 9.238 8.036 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.141 6.269 7.415 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.296 9.884 5.676 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.295 6.922 5.053 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.972 8.813 3.515 1.00 0.00 H new ATOM 98 N ASP A 30 -5.700 5.399 11.672 1.00 0.00 N ATOM 99 CA ASP A 30 -5.620 5.038 13.081 1.00 0.00 C ATOM 100 C ASP A 30 -4.305 5.515 13.675 1.00 0.00 C ATOM 101 O ASP A 30 -3.255 5.386 13.045 1.00 0.00 O ATOM 102 CB ASP A 30 -5.767 3.525 13.283 1.00 0.00 C ATOM 103 CG ASP A 30 -7.189 3.042 13.067 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.977 3.048 14.039 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.532 2.658 11.932 1.00 0.00 O ATOM 0 H ASP A 30 -5.420 4.658 11.029 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.446 5.529 13.595 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.102 3.004 12.594 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.448 3.264 14.292 1.00 0.00 H new ATOM 110 N PRO A 31 -4.353 6.074 14.890 1.00 0.00 N ATOM 111 CA PRO A 31 -3.208 6.747 15.514 1.00 0.00 C ATOM 112 C PRO A 31 -1.911 5.950 15.434 1.00 0.00 C ATOM 113 O PRO A 31 -0.867 6.479 15.043 1.00 0.00 O ATOM 114 CB PRO A 31 -3.642 6.891 16.970 1.00 0.00 C ATOM 115 CG PRO A 31 -5.126 6.956 16.916 1.00 0.00 C ATOM 116 CD PRO A 31 -5.539 6.085 15.765 1.00 0.00 C ATOM 0 HA PRO A 31 -2.982 7.686 15.010 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.304 6.046 17.570 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.222 7.790 17.421 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.566 6.603 17.849 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.466 7.981 16.771 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.801 5.080 16.097 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -6.412 6.488 15.251 1.00 0.00 H new ATOM 124 N ASP A 32 -1.994 4.677 15.778 1.00 0.00 N ATOM 125 CA ASP A 32 -0.812 3.834 15.897 1.00 0.00 C ATOM 126 C ASP A 32 -0.648 2.909 14.694 1.00 0.00 C ATOM 127 O ASP A 32 -0.043 1.843 14.805 1.00 0.00 O ATOM 128 CB ASP A 32 -0.885 3.009 17.186 1.00 0.00 C ATOM 129 CG ASP A 32 -2.136 2.157 17.269 1.00 0.00 C ATOM 130 OD1 ASP A 32 -3.246 2.728 17.331 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.018 0.914 17.297 1.00 0.00 O ATOM 0 H ASP A 32 -2.872 4.200 15.981 1.00 0.00 H new ATOM 0 HA ASP A 32 0.058 4.489 15.930 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.008 2.365 17.250 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.851 3.680 18.044 1.00 0.00 H new ATOM 136 N PHE A 33 -1.183 3.310 13.549 1.00 0.00 N ATOM 137 CA PHE A 33 -1.007 2.532 12.328 1.00 0.00 C ATOM 138 C PHE A 33 0.452 2.600 11.879 1.00 0.00 C ATOM 139 O PHE A 33 1.090 3.650 11.971 1.00 0.00 O ATOM 140 CB PHE A 33 -1.937 3.039 11.220 1.00 0.00 C ATOM 141 CG PHE A 33 -1.961 2.157 9.998 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.589 0.921 10.034 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.368 2.567 8.814 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.620 0.109 8.916 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.397 1.759 7.692 1.00 0.00 C ATOM 146 CZ PHE A 33 -2.025 0.530 7.744 1.00 0.00 C ATOM 0 H PHE A 33 -1.737 4.160 13.439 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.267 1.494 12.533 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.949 3.122 11.617 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.626 4.042 10.927 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.060 0.589 10.947 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.878 3.528 8.767 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.109 -0.853 8.959 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.929 2.089 6.776 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.050 -0.101 6.868 1.00 0.00 H new ATOM 156 N GLN A 34 0.970 1.473 11.407 1.00 0.00 N ATOM 157 CA GLN A 34 2.377 1.363 11.040 1.00 0.00 C ATOM 158 C GLN A 34 2.507 0.977 9.569 1.00 0.00 C ATOM 159 O GLN A 34 1.938 -0.027 9.134 1.00 0.00 O ATOM 160 CB GLN A 34 3.058 0.311 11.921 1.00 0.00 C ATOM 161 CG GLN A 34 2.887 0.551 13.413 1.00 0.00 C ATOM 162 CD GLN A 34 3.405 -0.602 14.255 1.00 0.00 C ATOM 163 OE1 GLN A 34 4.463 -1.251 13.793 1.00 0.00 O flip ATOM 164 NE2 GLN A 34 2.875 -0.889 15.327 1.00 0.00 N flip ATOM 0 H GLN A 34 0.433 0.617 11.269 1.00 0.00 H new ATOM 0 HA GLN A 34 2.862 2.327 11.193 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.656 -0.671 11.673 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.122 0.289 11.686 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.412 1.464 13.693 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.831 0.710 13.633 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.061 -0.366 15.650 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.249 -1.650 15.893 1.00 0.00 H new ATOM 173 N ALA A 35 3.254 1.771 8.808 1.00 0.00 N ATOM 174 CA ALA A 35 3.424 1.518 7.383 1.00 0.00 C ATOM 175 C ALA A 35 4.749 2.075 6.881 1.00 0.00 C ATOM 176 O ALA A 35 5.272 3.048 7.426 1.00 0.00 O ATOM 177 CB ALA A 35 2.266 2.113 6.596 1.00 0.00 C ATOM 0 H ALA A 35 3.750 2.593 9.154 1.00 0.00 H new ATOM 0 HA ALA A 35 3.433 0.439 7.231 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.408 1.915 5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.331 1.661 6.927 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.228 3.190 6.763 1.00 0.00 H new ATOM 183 N ARG A 36 5.284 1.448 5.842 1.00 0.00 N ATOM 184 CA ARG A 36 6.542 1.868 5.246 1.00 0.00 C ATOM 185 C ARG A 36 6.528 1.554 3.754 1.00 0.00 C ATOM 186 O ARG A 36 5.624 0.876 3.263 1.00 0.00 O ATOM 187 CB ARG A 36 7.721 1.145 5.905 1.00 0.00 C ATOM 188 CG ARG A 36 7.819 -0.324 5.517 1.00 0.00 C ATOM 189 CD ARG A 36 9.040 -0.998 6.124 1.00 0.00 C ATOM 190 NE ARG A 36 9.243 -2.338 5.574 1.00 0.00 N ATOM 191 CZ ARG A 36 9.973 -3.284 6.155 1.00 0.00 C ATOM 192 NH1 ARG A 36 10.553 -3.059 7.327 1.00 0.00 N ATOM 193 NH2 ARG A 36 10.122 -4.460 5.563 1.00 0.00 N ATOM 0 H ARG A 36 4.859 0.638 5.391 1.00 0.00 H new ATOM 0 HA ARG A 36 6.658 2.941 5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.647 1.649 5.629 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.626 1.222 6.988 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.919 -0.845 5.843 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.861 -0.409 4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.924 -0.389 5.936 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.921 -1.062 7.206 1.00 0.00 H new ATOM 0 HE ARG A 36 8.794 -2.561 4.686 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.440 -2.156 7.787 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.112 -3.789 7.768 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.677 -4.638 4.663 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.682 -5.187 6.008 1.00 0.00 H new ATOM 206 N LEU A 37 7.527 2.048 3.038 1.00 0.00 N ATOM 207 CA LEU A 37 7.674 1.747 1.623 1.00 0.00 C ATOM 208 C LEU A 37 8.960 0.964 1.393 1.00 0.00 C ATOM 209 O LEU A 37 9.963 1.197 2.072 1.00 0.00 O ATOM 210 CB LEU A 37 7.678 3.039 0.805 1.00 0.00 C ATOM 211 CG LEU A 37 6.408 3.883 0.926 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.543 5.164 0.131 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.190 3.107 0.452 1.00 0.00 C ATOM 0 H LEU A 37 8.250 2.661 3.416 1.00 0.00 H new ATOM 0 HA LEU A 37 6.830 1.138 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.530 3.645 1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.830 2.787 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 37 6.272 4.131 1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.630 5.751 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.387 5.740 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.709 4.925 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.301 3.730 0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.323 2.824 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.072 2.209 1.059 1.00 0.00 H new ATOM 225 N THR A 38 8.913 0.029 0.450 1.00 0.00 N ATOM 226 CA THR A 38 10.052 -0.836 0.144 1.00 0.00 C ATOM 227 C THR A 38 11.284 -0.035 -0.278 1.00 0.00 C ATOM 228 O THR A 38 11.184 1.130 -0.663 1.00 0.00 O ATOM 229 CB THR A 38 9.702 -1.826 -0.985 1.00 0.00 C ATOM 230 OG1 THR A 38 9.164 -1.115 -2.107 1.00 0.00 O ATOM 231 CG2 THR A 38 8.701 -2.868 -0.510 1.00 0.00 C ATOM 0 H THR A 38 8.089 -0.152 -0.123 1.00 0.00 H new ATOM 0 HA THR A 38 10.281 -1.379 1.061 1.00 0.00 H new ATOM 0 HB THR A 38 10.616 -2.340 -1.282 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.851 -1.030 -2.800 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.473 -3.552 -1.327 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.126 -3.427 0.324 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.786 -2.372 -0.186 1.00 0.00 H new ATOM 239 N ARG A 39 12.446 -0.678 -0.219 1.00 0.00 N ATOM 240 CA ARG A 39 13.706 -0.045 -0.594 1.00 0.00 C ATOM 241 C ARG A 39 13.895 -0.111 -2.108 1.00 0.00 C ATOM 242 O ARG A 39 14.935 -0.554 -2.601 1.00 0.00 O ATOM 243 CB ARG A 39 14.889 -0.737 0.099 1.00 0.00 C ATOM 244 CG ARG A 39 14.748 -0.891 1.608 1.00 0.00 C ATOM 245 CD ARG A 39 14.780 0.444 2.340 1.00 0.00 C ATOM 246 NE ARG A 39 13.479 1.114 2.349 1.00 0.00 N ATOM 247 CZ ARG A 39 13.152 2.073 3.209 1.00 0.00 C ATOM 248 NH1 ARG A 39 14.032 2.485 4.112 1.00 0.00 N ATOM 249 NH2 ARG A 39 11.951 2.621 3.178 1.00 0.00 N ATOM 0 H ARG A 39 12.541 -1.646 0.088 1.00 0.00 H new ATOM 0 HA ARG A 39 13.672 0.997 -0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.022 -1.725 -0.342 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.796 -0.170 -0.110 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.811 -1.401 1.831 1.00 0.00 H new ATOM 0 HG3 ARG A 39 15.552 -1.525 1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 39 15.108 0.283 3.367 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.516 1.095 1.868 1.00 0.00 H new ATOM 0 HE ARG A 39 12.785 0.829 1.657 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.961 2.066 4.147 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.780 3.221 4.771 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.266 2.309 2.490 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.709 3.356 3.842 1.00 0.00 H new ATOM 262 N SER A 40 12.879 0.318 -2.838 1.00 0.00 N ATOM 263 CA SER A 40 12.894 0.246 -4.289 1.00 0.00 C ATOM 264 C SER A 40 13.621 1.443 -4.895 1.00 0.00 C ATOM 265 O SER A 40 14.751 1.319 -5.362 1.00 0.00 O ATOM 266 CB SER A 40 11.463 0.164 -4.815 1.00 0.00 C ATOM 267 OG SER A 40 10.781 -0.933 -4.231 1.00 0.00 O ATOM 0 H SER A 40 12.028 0.722 -2.446 1.00 0.00 H new ATOM 0 HA SER A 40 13.436 -0.652 -4.585 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.933 1.090 -4.591 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.474 0.057 -5.900 1.00 0.00 H new ATOM 0 HG SER A 40 11.149 -1.771 -4.581 1.00 0.00 H new ATOM 273 N ASN A 41 12.981 2.604 -4.870 1.00 0.00 N ATOM 274 CA ASN A 41 13.573 3.803 -5.445 1.00 0.00 C ATOM 275 C ASN A 41 14.136 4.695 -4.353 1.00 0.00 C ATOM 276 O ASN A 41 15.346 4.910 -4.268 1.00 0.00 O ATOM 277 CB ASN A 41 12.548 4.580 -6.276 1.00 0.00 C ATOM 278 CG ASN A 41 12.084 3.819 -7.505 1.00 0.00 C ATOM 279 OD1 ASN A 41 12.811 2.993 -8.052 1.00 0.00 O ATOM 280 ND2 ASN A 41 10.870 4.098 -7.951 1.00 0.00 N ATOM 0 H ASN A 41 12.057 2.741 -4.460 1.00 0.00 H new ATOM 0 HA ASN A 41 14.384 3.491 -6.103 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.685 4.814 -5.653 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.984 5.530 -6.586 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.508 3.621 -8.776 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.296 4.790 -7.469 1.00 0.00 H new ATOM 287 N SER A 42 13.252 5.203 -3.511 1.00 0.00 N ATOM 288 CA SER A 42 13.650 6.078 -2.427 1.00 0.00 C ATOM 289 C SER A 42 12.683 5.906 -1.258 1.00 0.00 C ATOM 290 O SER A 42 11.743 5.113 -1.355 1.00 0.00 O ATOM 291 CB SER A 42 13.691 7.526 -2.919 1.00 0.00 C ATOM 292 OG SER A 42 14.468 8.342 -2.059 1.00 0.00 O ATOM 0 H SER A 42 12.249 5.022 -3.560 1.00 0.00 H new ATOM 0 HA SER A 42 14.650 5.817 -2.082 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.106 7.558 -3.926 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.677 7.920 -2.979 1.00 0.00 H new ATOM 0 HG SER A 42 13.914 8.651 -1.312 1.00 0.00 H new ATOM 298 N LYS A 43 12.894 6.644 -0.171 1.00 0.00 N ATOM 299 CA LYS A 43 12.165 6.397 1.076 1.00 0.00 C ATOM 300 C LYS A 43 10.648 6.516 0.886 1.00 0.00 C ATOM 301 O LYS A 43 9.893 5.726 1.450 1.00 0.00 O ATOM 302 CB LYS A 43 12.641 7.336 2.202 1.00 0.00 C ATOM 303 CG LYS A 43 12.010 8.723 2.181 1.00 0.00 C ATOM 304 CD LYS A 43 12.536 9.609 3.300 1.00 0.00 C ATOM 305 CE LYS A 43 13.969 10.049 3.042 1.00 0.00 C ATOM 306 NZ LYS A 43 14.078 10.898 1.824 1.00 0.00 N ATOM 0 H LYS A 43 13.560 7.415 -0.125 1.00 0.00 H new ATOM 0 HA LYS A 43 12.385 5.370 1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.426 6.868 3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.724 7.443 2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.210 9.197 1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.928 8.630 2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.898 10.487 3.399 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.486 9.069 4.246 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.340 10.602 3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.604 9.170 2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.999 11.382 1.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.996 10.301 0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.315 11.605 1.824 1.00 0.00 H new ATOM 319 N CYS A 44 10.209 7.476 0.077 1.00 0.00 N ATOM 320 CA CYS A 44 8.782 7.718 -0.113 1.00 0.00 C ATOM 321 C CYS A 44 8.349 7.366 -1.527 1.00 0.00 C ATOM 322 O CYS A 44 7.386 7.935 -2.056 1.00 0.00 O ATOM 323 CB CYS A 44 8.442 9.179 0.174 1.00 0.00 C ATOM 324 SG CYS A 44 8.756 9.698 1.888 1.00 0.00 S ATOM 0 H CYS A 44 10.818 8.097 -0.456 1.00 0.00 H new ATOM 0 HA CYS A 44 8.244 7.078 0.587 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.021 9.813 -0.497 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.390 9.347 -0.057 1.00 0.00 H new ATOM 329 N GLN A 45 9.052 6.425 -2.137 1.00 0.00 N ATOM 330 CA GLN A 45 8.750 6.012 -3.498 1.00 0.00 C ATOM 331 C GLN A 45 9.018 4.520 -3.666 1.00 0.00 C ATOM 332 O GLN A 45 10.131 4.112 -4.016 1.00 0.00 O ATOM 333 CB GLN A 45 9.589 6.812 -4.503 1.00 0.00 C ATOM 334 CG GLN A 45 9.372 8.319 -4.434 1.00 0.00 C ATOM 335 CD GLN A 45 10.440 9.105 -5.164 1.00 0.00 C ATOM 336 OE1 GLN A 45 10.339 9.341 -6.367 1.00 0.00 O ATOM 337 NE2 GLN A 45 11.448 9.553 -4.437 1.00 0.00 N ATOM 0 H GLN A 45 9.837 5.932 -1.710 1.00 0.00 H new ATOM 0 HA GLN A 45 7.695 6.208 -3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.644 6.599 -4.330 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.355 6.468 -5.510 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.397 8.560 -4.859 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.350 8.630 -3.389 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.495 9.335 -3.442 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.179 10.117 -4.871 1.00 0.00 H new ATOM 346 N GLY A 46 7.998 3.711 -3.412 1.00 0.00 N ATOM 347 CA GLY A 46 8.144 2.272 -3.513 1.00 0.00 C ATOM 348 C GLY A 46 6.853 1.545 -3.194 1.00 0.00 C ATOM 349 O GLY A 46 5.780 2.155 -3.194 1.00 0.00 O ATOM 0 H GLY A 46 7.068 4.027 -3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.468 2.011 -4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.926 1.938 -2.831 1.00 0.00 H new ATOM 353 N GLN A 47 6.952 0.251 -2.911 1.00 0.00 N ATOM 354 CA GLN A 47 5.783 -0.569 -2.616 1.00 0.00 C ATOM 355 C GLN A 47 5.323 -0.341 -1.185 1.00 0.00 C ATOM 356 O GLN A 47 6.136 -0.076 -0.299 1.00 0.00 O ATOM 357 CB GLN A 47 6.078 -2.058 -2.823 1.00 0.00 C ATOM 358 CG GLN A 47 6.179 -2.489 -4.279 1.00 0.00 C ATOM 359 CD GLN A 47 7.382 -1.908 -4.992 1.00 0.00 C ATOM 360 OE1 GLN A 47 7.308 -0.837 -5.589 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.499 -2.613 -4.936 1.00 0.00 N ATOM 0 H GLN A 47 7.837 -0.256 -2.880 1.00 0.00 H new ATOM 0 HA GLN A 47 4.993 -0.272 -3.306 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.014 -2.303 -2.320 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.294 -2.641 -2.339 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.227 -3.577 -4.326 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.273 -2.187 -4.804 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.519 -3.498 -4.429 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.341 -2.272 -5.399 1.00 0.00 H new ATOM 370 N LEU A 48 4.023 -0.458 -0.958 1.00 0.00 N ATOM 371 CA LEU A 48 3.456 -0.195 0.353 1.00 0.00 C ATOM 372 C LEU A 48 3.492 -1.445 1.217 1.00 0.00 C ATOM 373 O LEU A 48 2.922 -2.476 0.858 1.00 0.00 O ATOM 374 CB LEU A 48 2.016 0.316 0.223 1.00 0.00 C ATOM 375 CG LEU A 48 1.334 0.714 1.539 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.030 1.911 2.176 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.138 1.016 1.302 1.00 0.00 C ATOM 0 H LEU A 48 3.342 -0.733 -1.666 1.00 0.00 H new ATOM 0 HA LEU A 48 4.059 0.575 0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.014 1.179 -0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.417 -0.458 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 48 1.411 -0.126 2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.526 2.172 3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.070 1.659 2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.992 2.760 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.608 1.297 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.231 1.837 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.631 0.131 0.900 1.00 0.00 H new ATOM 389 N GLU A 49 4.183 -1.348 2.338 1.00 0.00 N ATOM 390 CA GLU A 49 4.205 -2.414 3.320 1.00 0.00 C ATOM 391 C GLU A 49 3.542 -1.941 4.597 1.00 0.00 C ATOM 392 O GLU A 49 3.940 -0.928 5.177 1.00 0.00 O ATOM 393 CB GLU A 49 5.630 -2.873 3.623 1.00 0.00 C ATOM 394 CG GLU A 49 6.300 -3.615 2.485 1.00 0.00 C ATOM 395 CD GLU A 49 7.672 -4.125 2.866 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.575 -3.296 3.107 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.857 -5.359 2.924 1.00 0.00 O ATOM 0 H GLU A 49 4.741 -0.533 2.592 1.00 0.00 H new ATOM 0 HA GLU A 49 3.660 -3.263 2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.233 -2.002 3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.613 -3.518 4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.674 -4.454 2.182 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.386 -2.954 1.623 1.00 0.00 H new ATOM 404 N VAL A 50 2.525 -2.661 5.024 1.00 0.00 N ATOM 405 CA VAL A 50 1.823 -2.322 6.246 1.00 0.00 C ATOM 406 C VAL A 50 2.110 -3.360 7.319 1.00 0.00 C ATOM 407 O VAL A 50 2.375 -4.526 7.012 1.00 0.00 O ATOM 408 CB VAL A 50 0.292 -2.212 6.029 1.00 0.00 C ATOM 409 CG1 VAL A 50 -0.024 -1.139 4.995 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.309 -3.552 5.616 1.00 0.00 C ATOM 0 H VAL A 50 2.165 -3.485 4.543 1.00 0.00 H new ATOM 0 HA VAL A 50 2.186 -1.345 6.566 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.161 -1.925 6.978 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.103 -1.075 4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.354 -0.177 5.341 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.450 -1.396 4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.384 -3.440 5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.149 -3.885 4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.123 -4.290 6.396 1.00 0.00 H new ATOM 420 N TYR A 51 2.095 -2.929 8.570 1.00 0.00 N ATOM 421 CA TYR A 51 2.263 -3.844 9.684 1.00 0.00 C ATOM 422 C TYR A 51 0.928 -4.509 9.973 1.00 0.00 C ATOM 423 O TYR A 51 0.093 -3.975 10.707 1.00 0.00 O ATOM 424 CB TYR A 51 2.788 -3.104 10.919 1.00 0.00 C ATOM 425 CG TYR A 51 3.147 -4.014 12.079 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.402 -4.611 12.160 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.233 -4.271 13.097 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.733 -5.435 13.219 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.559 -5.092 14.158 1.00 0.00 C ATOM 430 CZ TYR A 51 3.808 -5.671 14.215 1.00 0.00 C ATOM 431 OH TYR A 51 4.138 -6.488 15.277 1.00 0.00 O ATOM 0 H TYR A 51 1.968 -1.953 8.838 1.00 0.00 H new ATOM 0 HA TYR A 51 2.998 -4.606 9.426 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.669 -2.528 10.637 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.033 -2.391 11.250 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.129 -4.427 11.383 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.252 -3.821 13.056 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.711 -5.892 13.267 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.838 -5.280 14.940 1.00 0.00 H new ATOM 0 HH TYR A 51 3.377 -6.550 15.891 1.00 0.00 H new ATOM 441 N LEU A 52 0.724 -5.664 9.363 1.00 0.00 N ATOM 442 CA LEU A 52 -0.536 -6.375 9.475 1.00 0.00 C ATOM 443 C LEU A 52 -0.572 -7.159 10.782 1.00 0.00 C ATOM 444 O LEU A 52 0.289 -6.977 11.647 1.00 0.00 O ATOM 445 CB LEU A 52 -0.715 -7.316 8.279 1.00 0.00 C ATOM 446 CG LEU A 52 -2.159 -7.713 7.971 1.00 0.00 C ATOM 447 CD1 LEU A 52 -2.960 -6.512 7.488 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.199 -8.826 6.938 1.00 0.00 C ATOM 0 H LEU A 52 1.420 -6.131 8.782 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.355 -5.656 9.475 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.290 -6.839 7.396 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.137 -8.222 8.461 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.613 -8.079 8.892 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.984 -6.819 7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.965 -5.743 8.261 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.505 -6.112 6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.235 -9.094 6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.723 -8.486 6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.668 -9.697 7.321 1.00 0.00 H new ATOM 460 N LYS A 53 -1.547 -8.050 10.913 1.00 0.00 N ATOM 461 CA LYS A 53 -1.729 -8.834 12.131 1.00 0.00 C ATOM 462 C LYS A 53 -0.696 -9.970 12.209 1.00 0.00 C ATOM 463 O LYS A 53 -1.005 -11.102 12.593 1.00 0.00 O ATOM 464 CB LYS A 53 -3.158 -9.384 12.170 1.00 0.00 C ATOM 465 CG LYS A 53 -3.567 -9.952 13.516 1.00 0.00 C ATOM 466 CD LYS A 53 -5.013 -10.415 13.504 1.00 0.00 C ATOM 467 CE LYS A 53 -5.417 -11.002 14.843 1.00 0.00 C ATOM 468 NZ LYS A 53 -4.638 -12.223 15.172 1.00 0.00 N ATOM 0 H LYS A 53 -2.231 -8.250 10.183 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.573 -8.192 12.998 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.850 -8.587 11.899 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.257 -10.163 11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.917 -10.789 13.772 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.432 -9.195 14.289 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.664 -9.575 13.262 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.151 -11.161 12.721 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.271 -10.257 15.625 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.480 -11.243 14.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.085 -12.714 15.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.617 -12.855 14.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.666 -11.956 15.428 1.00 0.00 H new ATOM 481 N ASP A 54 0.534 -9.643 11.844 1.00 0.00 N ATOM 482 CA ASP A 54 1.646 -10.586 11.878 1.00 0.00 C ATOM 483 C ASP A 54 2.965 -9.839 11.693 1.00 0.00 C ATOM 484 O ASP A 54 3.905 -10.026 12.467 1.00 0.00 O ATOM 485 CB ASP A 54 1.493 -11.682 10.808 1.00 0.00 C ATOM 486 CG ASP A 54 1.768 -11.205 9.392 1.00 0.00 C ATOM 487 OD1 ASP A 54 0.988 -10.383 8.867 1.00 0.00 O ATOM 488 OD2 ASP A 54 2.757 -11.670 8.793 1.00 0.00 O ATOM 0 H ASP A 54 0.792 -8.713 11.514 1.00 0.00 H new ATOM 0 HA ASP A 54 1.644 -11.077 12.851 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.172 -12.502 11.043 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.481 -12.083 10.855 1.00 0.00 H new ATOM 493 N GLY A 55 3.020 -8.978 10.685 1.00 0.00 N ATOM 494 CA GLY A 55 4.216 -8.205 10.434 1.00 0.00 C ATOM 495 C GLY A 55 4.114 -7.401 9.156 1.00 0.00 C ATOM 496 O GLY A 55 3.012 -7.161 8.659 1.00 0.00 O ATOM 0 H GLY A 55 2.253 -8.802 10.036 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.395 -7.532 11.272 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.074 -8.874 10.374 1.00 0.00 H new ATOM 500 N TRP A 56 5.257 -6.992 8.623 1.00 0.00 N ATOM 501 CA TRP A 56 5.294 -6.181 7.411 1.00 0.00 C ATOM 502 C TRP A 56 4.923 -7.008 6.186 1.00 0.00 C ATOM 503 O TRP A 56 5.568 -8.010 5.878 1.00 0.00 O ATOM 504 CB TRP A 56 6.679 -5.559 7.224 1.00 0.00 C ATOM 505 CG TRP A 56 7.043 -4.583 8.301 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.947 -4.765 9.307 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.502 -3.271 8.482 1.00 0.00 C ATOM 508 NE1 TRP A 56 8.004 -3.645 10.098 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.125 -2.713 9.613 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.550 -2.512 7.799 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.829 -1.432 10.072 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.259 -1.243 8.254 1.00 0.00 C ATOM 513 CH2 TRP A 56 5.895 -0.715 9.381 1.00 0.00 C ATOM 0 H TRP A 56 6.175 -7.209 9.012 1.00 0.00 H new ATOM 0 HA TRP A 56 4.560 -5.383 7.521 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.425 -6.353 7.196 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.715 -5.054 6.259 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.532 -5.660 9.459 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.604 -3.526 10.915 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.050 -2.912 6.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.320 -1.021 10.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.527 -0.647 7.730 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.642 0.281 9.712 1.00 0.00 H new ATOM 524 N HIS A 57 3.876 -6.584 5.496 1.00 0.00 N ATOM 525 CA HIS A 57 3.432 -7.257 4.283 1.00 0.00 C ATOM 526 C HIS A 57 3.169 -6.245 3.176 1.00 0.00 C ATOM 527 O HIS A 57 2.642 -5.161 3.430 1.00 0.00 O ATOM 528 CB HIS A 57 2.168 -8.077 4.552 1.00 0.00 C ATOM 529 CG HIS A 57 2.431 -9.534 4.786 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.110 -10.191 5.958 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.964 -10.474 3.967 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.432 -11.466 5.846 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.950 -11.663 4.648 1.00 0.00 N ATOM 0 H HIS A 57 3.315 -5.773 5.756 1.00 0.00 H new ATOM 0 HA HIS A 57 4.225 -7.932 3.961 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.657 -7.665 5.422 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.490 -7.971 3.705 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.690 -9.759 6.781 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.331 -10.315 2.964 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.295 -12.221 6.606 1.00 0.00 H new ATOM 541 N MET A 58 3.550 -6.608 1.955 1.00 0.00 N ATOM 542 CA MET A 58 3.335 -5.764 0.784 1.00 0.00 C ATOM 543 C MET A 58 1.857 -5.746 0.414 1.00 0.00 C ATOM 544 O MET A 58 1.141 -6.699 0.692 1.00 0.00 O ATOM 545 CB MET A 58 4.130 -6.299 -0.406 1.00 0.00 C ATOM 546 CG MET A 58 5.625 -6.424 -0.169 1.00 0.00 C ATOM 547 SD MET A 58 6.456 -7.258 -1.537 1.00 0.00 S ATOM 548 CE MET A 58 5.884 -6.278 -2.925 1.00 0.00 C ATOM 0 H MET A 58 4.015 -7.492 1.750 1.00 0.00 H new ATOM 0 HA MET A 58 3.668 -4.755 1.025 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.736 -7.279 -0.677 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.965 -5.642 -1.260 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.055 -5.432 -0.034 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.801 -6.977 0.754 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.727 -6.039 -3.574 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.142 -6.843 -3.488 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.435 -5.355 -2.558 1.00 0.00 H new ATOM 558 N VAL A 59 1.409 -4.676 -0.224 1.00 0.00 N ATOM 559 CA VAL A 59 0.017 -4.572 -0.646 1.00 0.00 C ATOM 560 C VAL A 59 -0.124 -4.810 -2.155 1.00 0.00 C ATOM 561 O VAL A 59 0.614 -4.236 -2.958 1.00 0.00 O ATOM 562 CB VAL A 59 -0.580 -3.189 -0.282 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.028 -3.079 -0.740 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.485 -2.940 1.216 1.00 0.00 C ATOM 0 H VAL A 59 1.985 -3.869 -0.461 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.537 -5.345 -0.113 1.00 0.00 H new ATOM 0 HB VAL A 59 0.003 -2.429 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.421 -2.098 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.078 -3.206 -1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.623 -3.853 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.910 -1.964 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.038 -3.714 1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.561 -2.964 1.523 1.00 0.00 H new ATOM 574 N CYS A 60 -1.059 -5.676 -2.526 1.00 0.00 N ATOM 575 CA CYS A 60 -1.366 -5.937 -3.927 1.00 0.00 C ATOM 576 C CYS A 60 -2.341 -4.877 -4.431 1.00 0.00 C ATOM 577 O CYS A 60 -3.216 -4.429 -3.690 1.00 0.00 O ATOM 578 CB CYS A 60 -1.980 -7.335 -4.082 1.00 0.00 C ATOM 579 SG CYS A 60 -1.969 -7.986 -5.787 1.00 0.00 S ATOM 0 H CYS A 60 -1.623 -6.214 -1.868 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.448 -5.896 -4.514 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.438 -8.029 -3.439 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.009 -7.307 -3.725 1.00 0.00 H new ATOM 584 N SER A 61 -2.185 -4.480 -5.690 1.00 0.00 N ATOM 585 CA SER A 61 -2.977 -3.396 -6.260 1.00 0.00 C ATOM 586 C SER A 61 -4.442 -3.790 -6.419 1.00 0.00 C ATOM 587 O SER A 61 -5.301 -2.932 -6.590 1.00 0.00 O ATOM 588 CB SER A 61 -2.400 -2.985 -7.613 1.00 0.00 C ATOM 589 OG SER A 61 -2.350 -4.091 -8.501 1.00 0.00 O ATOM 0 H SER A 61 -1.514 -4.895 -6.337 1.00 0.00 H new ATOM 0 HA SER A 61 -2.931 -2.553 -5.570 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.010 -2.193 -8.047 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.398 -2.578 -7.477 1.00 0.00 H new ATOM 0 HG SER A 61 -3.262 -4.364 -8.735 1.00 0.00 H new ATOM 595 N GLN A 62 -4.721 -5.087 -6.352 1.00 0.00 N ATOM 596 CA GLN A 62 -6.085 -5.587 -6.517 1.00 0.00 C ATOM 597 C GLN A 62 -6.859 -5.489 -5.202 1.00 0.00 C ATOM 598 O GLN A 62 -7.938 -6.067 -5.054 1.00 0.00 O ATOM 599 CB GLN A 62 -6.063 -7.044 -6.993 1.00 0.00 C ATOM 600 CG GLN A 62 -5.080 -7.316 -8.123 1.00 0.00 C ATOM 601 CD GLN A 62 -5.307 -6.435 -9.336 1.00 0.00 C ATOM 602 OE1 GLN A 62 -4.733 -5.348 -9.447 1.00 0.00 O ATOM 603 NE2 GLN A 62 -6.138 -6.893 -10.258 1.00 0.00 N ATOM 0 H GLN A 62 -4.023 -5.812 -6.185 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.584 -4.972 -7.266 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.815 -7.687 -6.148 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.064 -7.322 -7.322 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.064 -7.165 -7.757 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.159 -8.361 -8.421 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.594 -7.797 -10.130 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.323 -6.342 -11.097 1.00 0.00 H new ATOM 612 N SER A 63 -6.298 -4.757 -4.249 1.00 0.00 N ATOM 613 CA SER A 63 -6.879 -4.642 -2.923 1.00 0.00 C ATOM 614 C SER A 63 -8.167 -3.825 -2.965 1.00 0.00 C ATOM 615 O SER A 63 -8.375 -3.015 -3.872 1.00 0.00 O ATOM 616 CB SER A 63 -5.873 -3.991 -1.964 1.00 0.00 C ATOM 617 OG SER A 63 -6.261 -4.171 -0.615 1.00 0.00 O ATOM 0 H SER A 63 -5.433 -4.230 -4.374 1.00 0.00 H new ATOM 0 HA SER A 63 -7.119 -5.643 -2.564 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.885 -4.423 -2.122 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.794 -2.926 -2.183 1.00 0.00 H new ATOM 0 HG SER A 63 -6.681 -3.350 -0.283 1.00 0.00 H new ATOM 623 N TRP A 64 -9.033 -4.072 -1.985 1.00 0.00 N ATOM 624 CA TRP A 64 -10.301 -3.360 -1.837 1.00 0.00 C ATOM 625 C TRP A 64 -11.205 -3.569 -3.047 1.00 0.00 C ATOM 626 O TRP A 64 -12.149 -2.813 -3.271 1.00 0.00 O ATOM 627 CB TRP A 64 -10.049 -1.867 -1.597 1.00 0.00 C ATOM 628 CG TRP A 64 -9.138 -1.622 -0.434 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.379 -1.928 0.874 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.835 -1.031 -0.474 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.306 -1.565 1.647 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.347 -1.010 0.845 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.033 -0.516 -1.497 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.097 -0.497 1.166 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.789 -0.008 -1.173 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.333 -0.001 0.147 1.00 0.00 C ATOM 0 H TRP A 64 -8.874 -4.777 -1.265 1.00 0.00 H new ATOM 0 HA TRP A 64 -10.817 -3.771 -0.969 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.615 -1.426 -2.494 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.000 -1.364 -1.422 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.282 -2.389 1.246 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.235 -1.689 2.657 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.379 -0.515 -2.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.741 -0.490 2.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.159 0.390 -1.954 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.357 0.405 0.367 1.00 0.00 H new ATOM 647 N GLY A 65 -10.912 -4.607 -3.822 1.00 0.00 N ATOM 648 CA GLY A 65 -11.703 -4.908 -4.997 1.00 0.00 C ATOM 649 C GLY A 65 -11.594 -3.831 -6.056 1.00 0.00 C ATOM 650 O GLY A 65 -12.510 -3.645 -6.854 1.00 0.00 O ATOM 0 H GLY A 65 -10.136 -5.248 -3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.379 -5.860 -5.416 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.747 -5.026 -4.708 1.00 0.00 H new ATOM 654 N ARG A 66 -10.481 -3.111 -6.059 1.00 0.00 N ATOM 655 CA ARG A 66 -10.265 -2.065 -7.043 1.00 0.00 C ATOM 656 C ARG A 66 -9.681 -2.669 -8.314 1.00 0.00 C ATOM 657 O ARG A 66 -8.960 -3.668 -8.267 1.00 0.00 O ATOM 658 CB ARG A 66 -9.317 -0.988 -6.504 1.00 0.00 C ATOM 659 CG ARG A 66 -9.794 -0.296 -5.229 1.00 0.00 C ATOM 660 CD ARG A 66 -11.176 0.337 -5.389 1.00 0.00 C ATOM 661 NE ARG A 66 -12.213 -0.443 -4.713 1.00 0.00 N ATOM 662 CZ ARG A 66 -13.397 0.045 -4.343 1.00 0.00 C ATOM 663 NH1 ARG A 66 -13.731 1.290 -4.648 1.00 0.00 N ATOM 664 NH2 ARG A 66 -14.253 -0.719 -3.682 1.00 0.00 N ATOM 0 H ARG A 66 -9.718 -3.233 -5.393 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.226 -1.599 -7.263 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.345 -1.442 -6.312 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.170 -0.234 -7.277 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.822 -1.020 -4.415 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.076 0.474 -4.947 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.161 1.349 -4.985 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.417 0.421 -6.449 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.017 -1.424 -4.512 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.081 1.880 -5.168 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.638 1.659 -4.363 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.007 -1.683 -3.455 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.159 -0.344 -3.400 1.00 0.00 H new ATOM 677 N SER A 67 -10.014 -2.073 -9.447 1.00 0.00 N ATOM 678 CA SER A 67 -9.459 -2.493 -10.714 1.00 0.00 C ATOM 679 C SER A 67 -8.029 -1.981 -10.838 1.00 0.00 C ATOM 680 O SER A 67 -7.638 -1.043 -10.144 1.00 0.00 O ATOM 681 CB SER A 67 -10.338 -1.975 -11.854 1.00 0.00 C ATOM 682 OG SER A 67 -10.641 -0.600 -11.686 1.00 0.00 O ATOM 0 H SER A 67 -10.669 -1.294 -9.510 1.00 0.00 H new ATOM 0 HA SER A 67 -9.436 -3.581 -10.770 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.828 -2.124 -12.806 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.262 -2.551 -11.894 1.00 0.00 H new ATOM 0 HG SER A 67 -11.202 -0.295 -12.429 1.00 0.00 H new ATOM 688 N SER A 68 -7.251 -2.601 -11.717 1.00 0.00 N ATOM 689 CA SER A 68 -5.830 -2.288 -11.855 1.00 0.00 C ATOM 690 C SER A 68 -5.594 -0.955 -12.577 1.00 0.00 C ATOM 691 O SER A 68 -4.704 -0.841 -13.422 1.00 0.00 O ATOM 692 CB SER A 68 -5.139 -3.425 -12.605 1.00 0.00 C ATOM 693 OG SER A 68 -5.470 -4.679 -12.030 1.00 0.00 O ATOM 0 H SER A 68 -7.582 -3.329 -12.350 1.00 0.00 H new ATOM 0 HA SER A 68 -5.408 -2.185 -10.855 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.437 -3.410 -13.653 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.059 -3.281 -12.579 1.00 0.00 H new ATOM 0 HG SER A 68 -5.107 -4.728 -11.121 1.00 0.00 H new ATOM 699 N LYS A 69 -6.384 0.052 -12.230 1.00 0.00 N ATOM 700 CA LYS A 69 -6.241 1.381 -12.801 1.00 0.00 C ATOM 701 C LYS A 69 -5.959 2.386 -11.696 1.00 0.00 C ATOM 702 O LYS A 69 -6.651 2.415 -10.678 1.00 0.00 O ATOM 703 CB LYS A 69 -7.501 1.802 -13.573 1.00 0.00 C ATOM 704 CG LYS A 69 -7.730 1.038 -14.871 1.00 0.00 C ATOM 705 CD LYS A 69 -8.290 -0.356 -14.628 1.00 0.00 C ATOM 706 CE LYS A 69 -8.220 -1.208 -15.883 1.00 0.00 C ATOM 707 NZ LYS A 69 -6.817 -1.545 -16.252 1.00 0.00 N ATOM 0 H LYS A 69 -7.138 -0.030 -11.548 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.408 1.357 -13.503 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.369 1.667 -12.928 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.435 2.866 -13.799 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.418 1.599 -15.504 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.789 0.960 -15.415 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.731 -0.840 -13.827 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.325 -0.281 -14.295 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.785 -2.127 -15.729 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.694 -0.677 -16.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.815 -2.353 -16.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.373 -0.725 -16.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.282 -1.792 -15.395 1.00 0.00 H new ATOM 720 N GLN A 70 -4.936 3.200 -11.891 1.00 0.00 N ATOM 721 CA GLN A 70 -4.548 4.183 -10.899 1.00 0.00 C ATOM 722 C GLN A 70 -5.481 5.393 -10.966 1.00 0.00 C ATOM 723 O GLN A 70 -5.598 6.043 -12.005 1.00 0.00 O ATOM 724 CB GLN A 70 -3.086 4.602 -11.119 1.00 0.00 C ATOM 725 CG GLN A 70 -2.430 5.210 -9.889 1.00 0.00 C ATOM 726 CD GLN A 70 -2.844 6.646 -9.633 1.00 0.00 C ATOM 727 OE1 GLN A 70 -3.056 7.424 -10.561 1.00 0.00 O ATOM 728 NE2 GLN A 70 -3.003 6.990 -8.369 1.00 0.00 N ATOM 0 H GLN A 70 -4.358 3.198 -12.731 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.632 3.743 -9.905 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.511 3.730 -11.432 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.043 5.323 -11.936 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.681 4.606 -9.017 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.347 5.167 -10.005 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.816 6.313 -7.629 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.313 7.932 -8.132 1.00 0.00 H new ATOM 737 N TRP A 71 -6.153 5.670 -9.858 1.00 0.00 N ATOM 738 CA TRP A 71 -7.050 6.815 -9.762 1.00 0.00 C ATOM 739 C TRP A 71 -6.292 8.002 -9.173 1.00 0.00 C ATOM 740 O TRP A 71 -5.665 7.879 -8.118 1.00 0.00 O ATOM 741 CB TRP A 71 -8.261 6.446 -8.894 1.00 0.00 C ATOM 742 CG TRP A 71 -9.339 7.485 -8.865 1.00 0.00 C ATOM 743 CD1 TRP A 71 -9.640 8.320 -7.831 1.00 0.00 C ATOM 744 CD2 TRP A 71 -10.266 7.789 -9.912 1.00 0.00 C ATOM 745 NE1 TRP A 71 -10.700 9.126 -8.168 1.00 0.00 N ATOM 746 CE2 TRP A 71 -11.099 8.823 -9.443 1.00 0.00 C ATOM 747 CE3 TRP A 71 -10.470 7.293 -11.202 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -12.124 9.363 -10.217 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -11.486 7.830 -11.968 1.00 0.00 C ATOM 750 CH2 TRP A 71 -12.299 8.857 -11.476 1.00 0.00 C ATOM 0 H TRP A 71 -6.094 5.113 -9.006 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.411 7.093 -10.752 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.684 5.511 -9.260 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.921 6.264 -7.875 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -9.121 8.344 -6.884 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.121 9.834 -7.567 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.845 6.504 -11.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.757 10.152 -9.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.656 7.450 -12.965 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.081 9.259 -12.103 1.00 0.00 H new ATOM 761 N GLU A 72 -6.354 9.151 -9.846 1.00 0.00 N ATOM 762 CA GLU A 72 -5.518 10.304 -9.484 1.00 0.00 C ATOM 763 C GLU A 72 -6.059 11.067 -8.272 1.00 0.00 C ATOM 764 O GLU A 72 -6.081 12.300 -8.255 1.00 0.00 O ATOM 765 CB GLU A 72 -5.358 11.257 -10.674 1.00 0.00 C ATOM 766 CG GLU A 72 -4.588 10.657 -11.838 1.00 0.00 C ATOM 767 CD GLU A 72 -4.353 11.654 -12.954 1.00 0.00 C ATOM 768 OE1 GLU A 72 -5.326 12.025 -13.643 1.00 0.00 O ATOM 769 OE2 GLU A 72 -3.191 12.064 -13.156 1.00 0.00 O ATOM 0 H GLU A 72 -6.971 9.312 -10.642 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.542 9.904 -9.208 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.346 11.560 -11.021 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.847 12.160 -10.339 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.628 10.284 -11.481 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.137 9.801 -12.230 1.00 0.00 H new ATOM 776 N ASP A 73 -6.470 10.327 -7.252 1.00 0.00 N ATOM 777 CA ASP A 73 -6.880 10.917 -5.979 1.00 0.00 C ATOM 778 C ASP A 73 -6.169 10.194 -4.833 1.00 0.00 C ATOM 779 O ASP A 73 -6.786 9.473 -4.050 1.00 0.00 O ATOM 780 CB ASP A 73 -8.403 10.837 -5.807 1.00 0.00 C ATOM 781 CG ASP A 73 -8.895 11.568 -4.569 1.00 0.00 C ATOM 782 OD1 ASP A 73 -8.781 12.810 -4.519 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.407 10.905 -3.643 1.00 0.00 O ATOM 0 H ASP A 73 -6.530 9.309 -7.279 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.600 11.970 -5.968 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.886 11.259 -6.688 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.703 9.791 -5.749 1.00 0.00 H new ATOM 788 N PRO A 74 -4.837 10.356 -4.737 1.00 0.00 N ATOM 789 CA PRO A 74 -4.013 9.660 -3.755 1.00 0.00 C ATOM 790 C PRO A 74 -3.937 10.399 -2.427 1.00 0.00 C ATOM 791 O PRO A 74 -3.283 9.944 -1.489 1.00 0.00 O ATOM 792 CB PRO A 74 -2.624 9.625 -4.421 1.00 0.00 C ATOM 793 CG PRO A 74 -2.768 10.371 -5.713 1.00 0.00 C ATOM 794 CD PRO A 74 -4.006 11.206 -5.583 1.00 0.00 C ATOM 0 HA PRO A 74 -4.417 8.677 -3.512 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.873 10.091 -3.783 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.301 8.599 -4.597 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.895 10.997 -5.900 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.851 9.681 -6.553 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.803 12.173 -5.122 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.471 11.405 -6.549 1.00 0.00 H new ATOM 802 N SER A 75 -4.627 11.532 -2.351 1.00 0.00 N ATOM 803 CA SER A 75 -4.608 12.381 -1.163 1.00 0.00 C ATOM 804 C SER A 75 -5.129 11.649 0.072 1.00 0.00 C ATOM 805 O SER A 75 -4.914 12.090 1.199 1.00 0.00 O ATOM 806 CB SER A 75 -5.434 13.640 -1.412 1.00 0.00 C ATOM 807 OG SER A 75 -5.008 14.296 -2.593 1.00 0.00 O ATOM 0 H SER A 75 -5.213 11.887 -3.107 1.00 0.00 H new ATOM 0 HA SER A 75 -3.571 12.654 -0.968 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.489 13.378 -1.497 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.341 14.316 -0.562 1.00 0.00 H new ATOM 0 HG SER A 75 -5.551 15.099 -2.735 1.00 0.00 H new ATOM 813 N GLN A 76 -5.802 10.526 -0.141 1.00 0.00 N ATOM 814 CA GLN A 76 -6.307 9.718 0.959 1.00 0.00 C ATOM 815 C GLN A 76 -5.156 9.073 1.735 1.00 0.00 C ATOM 816 O GLN A 76 -5.332 8.633 2.869 1.00 0.00 O ATOM 817 CB GLN A 76 -7.255 8.634 0.434 1.00 0.00 C ATOM 818 CG GLN A 76 -8.429 9.182 -0.365 1.00 0.00 C ATOM 819 CD GLN A 76 -9.320 10.114 0.438 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.913 11.043 -0.109 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.430 9.874 1.736 1.00 0.00 N ATOM 0 H GLN A 76 -6.011 10.154 -1.068 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.856 10.373 1.635 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.691 7.943 -0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.638 8.059 1.277 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.049 9.715 -1.236 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.027 8.350 -0.736 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.923 9.094 2.155 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.021 10.469 2.316 1.00 0.00 H new ATOM 830 N ALA A 77 -3.977 9.039 1.123 1.00 0.00 N ATOM 831 CA ALA A 77 -2.810 8.417 1.738 1.00 0.00 C ATOM 832 C ALA A 77 -1.768 9.461 2.121 1.00 0.00 C ATOM 833 O ALA A 77 -0.612 9.131 2.387 1.00 0.00 O ATOM 834 CB ALA A 77 -2.198 7.395 0.790 1.00 0.00 C ATOM 0 H ALA A 77 -3.804 9.436 0.199 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.137 7.912 2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.328 6.938 1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.934 6.624 0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.894 7.890 -0.132 1.00 0.00 H new ATOM 840 N SER A 78 -2.188 10.721 2.164 1.00 0.00 N ATOM 841 CA SER A 78 -1.284 11.829 2.458 1.00 0.00 C ATOM 842 C SER A 78 -0.588 11.647 3.804 1.00 0.00 C ATOM 843 O SER A 78 0.601 11.942 3.947 1.00 0.00 O ATOM 844 CB SER A 78 -2.065 13.141 2.448 1.00 0.00 C ATOM 845 OG SER A 78 -3.189 13.065 3.309 1.00 0.00 O ATOM 0 H SER A 78 -3.154 11.002 1.998 1.00 0.00 H new ATOM 0 HA SER A 78 -0.513 11.851 1.688 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.416 13.958 2.762 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.393 13.366 1.433 1.00 0.00 H new ATOM 0 HG SER A 78 -3.965 12.740 2.806 1.00 0.00 H new ATOM 851 N LYS A 79 -1.327 11.143 4.782 1.00 0.00 N ATOM 852 CA LYS A 79 -0.800 10.992 6.128 1.00 0.00 C ATOM 853 C LYS A 79 0.276 9.912 6.194 1.00 0.00 C ATOM 854 O LYS A 79 1.137 9.947 7.070 1.00 0.00 O ATOM 855 CB LYS A 79 -1.930 10.703 7.118 1.00 0.00 C ATOM 856 CG LYS A 79 -2.970 11.811 7.161 1.00 0.00 C ATOM 857 CD LYS A 79 -2.310 13.177 7.299 1.00 0.00 C ATOM 858 CE LYS A 79 -3.315 14.308 7.178 1.00 0.00 C ATOM 859 NZ LYS A 79 -2.642 15.634 7.108 1.00 0.00 N ATOM 0 H LYS A 79 -2.292 10.833 4.668 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.329 11.934 6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.415 9.765 6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.509 10.567 8.114 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.572 11.785 6.253 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.648 11.645 7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.807 13.241 8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.544 13.289 6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.924 14.161 6.286 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.992 14.287 8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.359 16.383 7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.081 15.785 7.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.015 15.662 6.278 1.00 0.00 H new ATOM 872 N VAL A 80 0.246 8.972 5.257 1.00 0.00 N ATOM 873 CA VAL A 80 1.294 7.967 5.171 1.00 0.00 C ATOM 874 C VAL A 80 2.600 8.637 4.763 1.00 0.00 C ATOM 875 O VAL A 80 3.647 8.399 5.365 1.00 0.00 O ATOM 876 CB VAL A 80 0.941 6.839 4.171 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.104 5.866 4.024 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.313 6.102 4.618 1.00 0.00 C ATOM 0 H VAL A 80 -0.487 8.886 4.552 1.00 0.00 H new ATOM 0 HA VAL A 80 1.399 7.505 6.153 1.00 0.00 H new ATOM 0 HB VAL A 80 0.748 7.294 3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.835 5.081 3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.981 6.400 3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.330 5.420 4.993 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.546 5.313 3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.146 5.663 5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.147 6.802 4.670 1.00 0.00 H new ATOM 888 N CYS A 81 2.520 9.505 3.759 1.00 0.00 N ATOM 889 CA CYS A 81 3.679 10.271 3.315 1.00 0.00 C ATOM 890 C CYS A 81 4.150 11.212 4.418 1.00 0.00 C ATOM 891 O CYS A 81 5.349 11.395 4.619 1.00 0.00 O ATOM 892 CB CYS A 81 3.342 11.078 2.060 1.00 0.00 C ATOM 893 SG CYS A 81 2.662 10.084 0.695 1.00 0.00 S ATOM 0 H CYS A 81 1.664 9.695 3.238 1.00 0.00 H new ATOM 0 HA CYS A 81 4.479 9.569 3.080 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.623 11.854 2.323 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.244 11.583 1.713 1.00 0.00 H new ATOM 898 N GLN A 82 3.199 11.797 5.140 1.00 0.00 N ATOM 899 CA GLN A 82 3.517 12.709 6.232 1.00 0.00 C ATOM 900 C GLN A 82 4.276 11.978 7.337 1.00 0.00 C ATOM 901 O GLN A 82 5.281 12.476 7.842 1.00 0.00 O ATOM 902 CB GLN A 82 2.240 13.341 6.792 1.00 0.00 C ATOM 903 CG GLN A 82 2.498 14.434 7.818 1.00 0.00 C ATOM 904 CD GLN A 82 1.219 15.051 8.340 1.00 0.00 C ATOM 905 OE1 GLN A 82 0.702 16.012 7.769 1.00 0.00 O ATOM 906 NE2 GLN A 82 0.708 14.516 9.434 1.00 0.00 N ATOM 0 H GLN A 82 2.201 11.655 4.988 1.00 0.00 H new ATOM 0 HA GLN A 82 4.154 13.502 5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.660 13.758 5.968 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.630 12.562 7.250 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.064 14.019 8.652 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.116 15.211 7.369 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.168 13.720 9.876 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.147 14.899 9.837 1.00 0.00 H new ATOM 915 N ARG A 83 3.805 10.786 7.695 1.00 0.00 N ATOM 916 CA ARG A 83 4.488 9.969 8.696 1.00 0.00 C ATOM 917 C ARG A 83 5.854 9.534 8.185 1.00 0.00 C ATOM 918 O ARG A 83 6.772 9.276 8.964 1.00 0.00 O ATOM 919 CB ARG A 83 3.664 8.730 9.059 1.00 0.00 C ATOM 920 CG ARG A 83 2.373 9.027 9.808 1.00 0.00 C ATOM 921 CD ARG A 83 2.633 9.798 11.092 1.00 0.00 C ATOM 922 NE ARG A 83 1.466 9.808 11.970 1.00 0.00 N ATOM 923 CZ ARG A 83 0.649 10.848 12.111 1.00 0.00 C ATOM 924 NH1 ARG A 83 0.804 11.927 11.355 1.00 0.00 N ATOM 925 NH2 ARG A 83 -0.340 10.809 12.989 1.00 0.00 N ATOM 0 H ARG A 83 2.959 10.366 7.310 1.00 0.00 H new ATOM 0 HA ARG A 83 4.611 10.580 9.590 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.422 8.189 8.144 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.278 8.067 9.668 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.704 9.602 9.167 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.864 8.092 10.042 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.478 9.353 11.617 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.913 10.823 10.849 1.00 0.00 H new ATOM 0 HE ARG A 83 1.265 8.965 12.508 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.552 11.961 10.662 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.175 12.722 11.466 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.480 9.978 13.563 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.963 11.610 13.092 1.00 0.00 H new ATOM 938 N LEU A 84 5.979 9.469 6.872 1.00 0.00 N ATOM 939 CA LEU A 84 7.213 9.045 6.238 1.00 0.00 C ATOM 940 C LEU A 84 8.128 10.244 5.978 1.00 0.00 C ATOM 941 O LEU A 84 9.172 10.111 5.340 1.00 0.00 O ATOM 942 CB LEU A 84 6.886 8.326 4.931 1.00 0.00 C ATOM 943 CG LEU A 84 7.844 7.207 4.531 1.00 0.00 C ATOM 944 CD1 LEU A 84 7.803 6.073 5.548 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.483 6.688 3.155 1.00 0.00 C ATOM 0 H LEU A 84 5.233 9.707 6.219 1.00 0.00 H new ATOM 0 HA LEU A 84 7.741 8.361 6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.882 7.909 5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.863 9.063 4.129 1.00 0.00 H new ATOM 0 HG LEU A 84 8.857 7.608 4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.493 5.286 5.244 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.094 6.452 6.528 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.792 5.668 5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.170 5.890 2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.464 6.301 3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.554 7.499 2.430 1.00 0.00 H new ATOM 957 N ASN A 85 7.709 11.412 6.476 1.00 0.00 N ATOM 958 CA ASN A 85 8.500 12.644 6.391 1.00 0.00 C ATOM 959 C ASN A 85 8.591 13.147 4.946 1.00 0.00 C ATOM 960 O ASN A 85 9.644 13.583 4.486 1.00 0.00 O ATOM 961 CB ASN A 85 9.902 12.428 6.986 1.00 0.00 C ATOM 962 CG ASN A 85 10.699 13.715 7.154 1.00 0.00 C ATOM 963 OD1 ASN A 85 10.025 14.808 7.473 1.00 0.00 O flip ATOM 964 ND2 ASN A 85 11.923 13.717 7.021 1.00 0.00 N flip ATOM 0 H ASN A 85 6.813 11.530 6.949 1.00 0.00 H new ATOM 0 HA ASN A 85 7.993 13.411 6.976 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.804 11.942 7.957 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.459 11.747 6.343 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.411 12.856 6.774 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.449 14.580 7.157 1.00 0.00 H new ATOM 971 N CYS A 86 7.479 13.083 4.229 1.00 0.00 N ATOM 972 CA CYS A 86 7.419 13.600 2.869 1.00 0.00 C ATOM 973 C CYS A 86 6.168 14.442 2.669 1.00 0.00 C ATOM 974 O CYS A 86 5.352 14.576 3.584 1.00 0.00 O ATOM 975 CB CYS A 86 7.475 12.454 1.854 1.00 0.00 C ATOM 976 SG CYS A 86 9.123 11.684 1.721 1.00 0.00 S ATOM 0 H CYS A 86 6.605 12.678 4.566 1.00 0.00 H new ATOM 0 HA CYS A 86 8.286 14.240 2.706 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.748 11.692 2.137 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.178 12.831 0.875 1.00 0.00 H new ATOM 981 N GLY A 87 6.027 15.022 1.486 1.00 0.00 N ATOM 982 CA GLY A 87 4.902 15.896 1.217 1.00 0.00 C ATOM 983 C GLY A 87 3.679 15.146 0.716 1.00 0.00 C ATOM 984 O GLY A 87 3.455 13.994 1.085 1.00 0.00 O ATOM 0 H GLY A 87 6.673 14.903 0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.643 16.437 2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.195 16.640 0.476 1.00 0.00 H new ATOM 988 N ASP A 88 2.895 15.807 -0.131 1.00 0.00 N ATOM 989 CA ASP A 88 1.661 15.234 -0.670 1.00 0.00 C ATOM 990 C ASP A 88 1.944 13.997 -1.520 1.00 0.00 C ATOM 991 O ASP A 88 3.049 13.830 -2.047 1.00 0.00 O ATOM 992 CB ASP A 88 0.916 16.271 -1.516 1.00 0.00 C ATOM 993 CG ASP A 88 0.448 17.466 -0.712 1.00 0.00 C ATOM 994 OD1 ASP A 88 1.259 18.384 -0.473 1.00 0.00 O ATOM 995 OD2 ASP A 88 -0.739 17.497 -0.324 1.00 0.00 O ATOM 0 H ASP A 88 3.094 16.751 -0.463 1.00 0.00 H new ATOM 0 HA ASP A 88 1.041 14.938 0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.569 16.614 -2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.055 15.797 -1.986 1.00 0.00 H new ATOM 1000 N PRO A 89 0.946 13.110 -1.662 1.00 0.00 N ATOM 1001 CA PRO A 89 1.064 11.902 -2.458 1.00 0.00 C ATOM 1002 C PRO A 89 0.714 12.145 -3.925 1.00 0.00 C ATOM 1003 O PRO A 89 -0.413 12.521 -4.256 1.00 0.00 O ATOM 1004 CB PRO A 89 0.054 10.944 -1.814 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.826 11.777 -0.933 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.382 13.210 -1.057 1.00 0.00 C ATOM 0 HA PRO A 89 2.083 11.516 -2.466 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.534 10.432 -2.576 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.565 10.175 -1.235 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.870 11.674 -1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.754 11.444 0.102 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.064 13.788 -1.681 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.343 13.703 -0.086 1.00 0.00 H new ATOM 1014 N LEU A 90 1.689 11.923 -4.793 1.00 0.00 N ATOM 1015 CA LEU A 90 1.517 12.121 -6.224 1.00 0.00 C ATOM 1016 C LEU A 90 0.766 10.952 -6.844 1.00 0.00 C ATOM 1017 O LEU A 90 -0.177 11.141 -7.610 1.00 0.00 O ATOM 1018 CB LEU A 90 2.881 12.265 -6.903 1.00 0.00 C ATOM 1019 CG LEU A 90 3.709 13.475 -6.467 1.00 0.00 C ATOM 1020 CD1 LEU A 90 5.070 13.462 -7.148 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.976 14.773 -6.774 1.00 0.00 C ATOM 0 H LEU A 90 2.619 11.601 -4.526 1.00 0.00 H new ATOM 0 HA LEU A 90 0.937 13.032 -6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.460 11.362 -6.711 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.727 12.321 -7.981 1.00 0.00 H new ATOM 0 HG LEU A 90 3.857 13.414 -5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.646 14.330 -6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.604 12.551 -6.877 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.936 13.496 -8.229 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.585 15.619 -6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.792 14.842 -7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.025 14.789 -6.241 1.00 0.00 H new ATOM 1033 N SER A 91 1.182 9.742 -6.498 1.00 0.00 N ATOM 1034 CA SER A 91 0.608 8.540 -7.085 1.00 0.00 C ATOM 1035 C SER A 91 0.338 7.488 -6.018 1.00 0.00 C ATOM 1036 O SER A 91 1.103 7.345 -5.063 1.00 0.00 O ATOM 1037 CB SER A 91 1.549 7.962 -8.144 1.00 0.00 C ATOM 1038 OG SER A 91 1.939 8.947 -9.087 1.00 0.00 O ATOM 0 H SER A 91 1.916 9.567 -5.812 1.00 0.00 H new ATOM 0 HA SER A 91 -0.337 8.816 -7.553 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.434 7.550 -7.660 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.056 7.138 -8.660 1.00 0.00 H new ATOM 0 HG SER A 91 2.541 8.546 -9.749 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.752 6.760 -6.197 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.120 5.667 -5.308 1.00 0.00 C ATOM 1046 C LEU A 92 -1.804 4.575 -6.117 1.00 0.00 C ATOM 1047 O LEU A 92 -2.867 4.802 -6.693 1.00 0.00 O ATOM 1048 CB LEU A 92 -2.060 6.160 -4.202 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.577 5.078 -3.250 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -1.463 4.563 -2.354 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -3.733 5.606 -2.411 1.00 0.00 C ATOM 0 H LEU A 92 -1.408 6.909 -6.963 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.218 5.272 -4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.539 6.917 -3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.915 6.650 -4.667 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.940 4.246 -3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.857 3.796 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.669 4.137 -2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.062 5.386 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.085 4.821 -1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.396 6.460 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.547 5.916 -3.067 1.00 0.00 H new ATOM 1063 N GLY A 93 -1.189 3.410 -6.180 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.736 2.332 -6.980 1.00 0.00 C ATOM 1065 C GLY A 93 -0.646 1.426 -7.513 1.00 0.00 C ATOM 1066 O GLY A 93 0.400 1.305 -6.883 1.00 0.00 O ATOM 0 H GLY A 93 -0.321 3.187 -5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.433 1.749 -6.378 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.304 2.748 -7.812 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.856 0.774 -8.670 1.00 0.00 N ATOM 1071 CA PRO A 94 0.154 -0.102 -9.277 1.00 0.00 C ATOM 1072 C PRO A 94 1.458 0.641 -9.563 1.00 0.00 C ATOM 1073 O PRO A 94 1.553 1.407 -10.527 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.503 -0.566 -10.584 1.00 0.00 C ATOM 1075 CG PRO A 94 -1.964 -0.365 -10.371 1.00 0.00 C ATOM 1076 CD PRO A 94 -2.088 0.834 -9.474 1.00 0.00 C ATOM 0 HA PRO A 94 0.431 -0.925 -8.618 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.144 0.014 -11.434 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.274 -1.611 -10.792 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.478 -0.199 -11.318 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.417 -1.244 -9.913 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.153 1.760 -10.045 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.980 0.781 -8.850 1.00 0.00 H new ATOM 1084 N PHE A 95 2.452 0.420 -8.712 1.00 0.00 N ATOM 1085 CA PHE A 95 3.719 1.130 -8.812 1.00 0.00 C ATOM 1086 C PHE A 95 4.749 0.278 -9.538 1.00 0.00 C ATOM 1087 O PHE A 95 5.175 0.609 -10.645 1.00 0.00 O ATOM 1088 CB PHE A 95 4.229 1.502 -7.414 1.00 0.00 C ATOM 1089 CG PHE A 95 5.421 2.422 -7.425 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.290 3.742 -7.824 1.00 0.00 C ATOM 1091 CD2 PHE A 95 6.671 1.967 -7.034 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.383 4.587 -7.837 1.00 0.00 C ATOM 1093 CE2 PHE A 95 7.768 2.809 -7.047 1.00 0.00 C ATOM 1094 CZ PHE A 95 7.621 4.121 -7.446 1.00 0.00 C ATOM 0 H PHE A 95 2.404 -0.248 -7.943 1.00 0.00 H new ATOM 0 HA PHE A 95 3.561 2.045 -9.383 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.421 1.977 -6.857 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.491 0.589 -6.879 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.323 4.115 -8.128 1.00 0.00 H new ATOM 0 HD2 PHE A 95 6.789 0.942 -6.715 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.268 5.613 -8.154 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.737 2.440 -6.746 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.474 4.783 -7.452 1.00 0.00 H new ATOM 1104 N LEU A 96 5.138 -0.826 -8.915 1.00 0.00 N ATOM 1105 CA LEU A 96 6.089 -1.753 -9.517 1.00 0.00 C ATOM 1106 C LEU A 96 5.497 -3.154 -9.572 1.00 0.00 C ATOM 1107 O LEU A 96 4.342 -3.366 -9.200 1.00 0.00 O ATOM 1108 CB LEU A 96 7.412 -1.761 -8.743 1.00 0.00 C ATOM 1109 CG LEU A 96 8.249 -0.479 -8.870 1.00 0.00 C ATOM 1110 CD1 LEU A 96 9.552 -0.603 -8.095 1.00 0.00 C ATOM 1111 CD2 LEU A 96 8.534 -0.167 -10.332 1.00 0.00 C ATOM 0 H LEU A 96 4.809 -1.103 -7.990 1.00 0.00 H new ATOM 0 HA LEU A 96 6.294 -1.419 -10.534 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.197 -1.933 -7.688 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.012 -2.604 -9.088 1.00 0.00 H new ATOM 0 HG LEU A 96 7.672 0.342 -8.444 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.127 0.317 -8.200 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.334 -0.776 -7.041 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.131 -1.439 -8.487 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.128 0.744 -10.400 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.085 -0.994 -10.780 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.593 -0.028 -10.864 1.00 0.00 H new ATOM 1123 N LYS A 97 6.283 -4.108 -10.038 1.00 0.00 N ATOM 1124 CA LYS A 97 5.791 -5.458 -10.250 1.00 0.00 C ATOM 1125 C LYS A 97 6.696 -6.495 -9.589 1.00 0.00 C ATOM 1126 O LYS A 97 7.459 -7.188 -10.257 1.00 0.00 O ATOM 1127 CB LYS A 97 5.663 -5.727 -11.753 1.00 0.00 C ATOM 1128 CG LYS A 97 6.901 -5.344 -12.552 1.00 0.00 C ATOM 1129 CD LYS A 97 6.733 -5.638 -14.034 1.00 0.00 C ATOM 1130 CE LYS A 97 5.573 -4.860 -14.631 1.00 0.00 C ATOM 1131 NZ LYS A 97 5.482 -5.060 -16.100 1.00 0.00 N ATOM 0 H LYS A 97 7.265 -3.973 -10.277 1.00 0.00 H new ATOM 0 HA LYS A 97 4.809 -5.545 -9.784 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.456 -6.786 -11.907 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.807 -5.175 -12.140 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.108 -4.283 -12.414 1.00 0.00 H new ATOM 0 HG3 LYS A 97 7.763 -5.890 -12.169 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.652 -5.384 -14.562 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.568 -6.706 -14.177 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.642 -5.176 -14.161 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.695 -3.799 -14.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.680 -4.515 -16.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.362 -4.735 -16.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.341 -6.070 -16.305 1.00 0.00 H new ATOM 1144 N THR A 98 6.598 -6.599 -8.272 1.00 0.00 N ATOM 1145 CA THR A 98 7.394 -7.561 -7.523 1.00 0.00 C ATOM 1146 C THR A 98 6.834 -8.978 -7.692 1.00 0.00 C ATOM 1147 O THR A 98 7.570 -9.956 -7.585 1.00 0.00 O ATOM 1148 CB THR A 98 7.431 -7.187 -6.029 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.748 -5.794 -5.887 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.458 -8.017 -5.274 1.00 0.00 C ATOM 0 H THR A 98 5.975 -6.029 -7.699 1.00 0.00 H new ATOM 0 HA THR A 98 8.410 -7.537 -7.918 1.00 0.00 H new ATOM 0 HB THR A 98 6.447 -7.392 -5.607 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.226 -5.652 -5.043 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.458 -7.728 -4.223 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.205 -9.074 -5.359 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.447 -7.845 -5.698 1.00 0.00 H new ATOM 1158 N TYR A 99 5.525 -9.059 -7.955 1.00 0.00 N ATOM 1159 CA TYR A 99 4.843 -10.330 -8.244 1.00 0.00 C ATOM 1160 C TYR A 99 5.266 -11.458 -7.307 1.00 0.00 C ATOM 1161 O TYR A 99 5.907 -12.425 -7.722 1.00 0.00 O ATOM 1162 CB TYR A 99 5.067 -10.746 -9.701 1.00 0.00 C ATOM 1163 CG TYR A 99 4.131 -10.061 -10.672 1.00 0.00 C ATOM 1164 CD1 TYR A 99 2.786 -10.392 -10.698 1.00 0.00 C ATOM 1165 CD2 TYR A 99 4.582 -9.084 -11.548 1.00 0.00 C ATOM 1166 CE1 TYR A 99 1.915 -9.771 -11.568 1.00 0.00 C ATOM 1167 CE2 TYR A 99 3.712 -8.455 -12.421 1.00 0.00 C ATOM 1168 CZ TYR A 99 2.379 -8.806 -12.425 1.00 0.00 C ATOM 1169 OH TYR A 99 1.502 -8.185 -13.282 1.00 0.00 O ATOM 0 H TYR A 99 4.907 -8.248 -7.974 1.00 0.00 H new ATOM 0 HA TYR A 99 3.781 -10.154 -8.075 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.096 -10.522 -9.981 1.00 0.00 H new ATOM 0 HB3 TYR A 99 4.941 -11.825 -9.786 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.413 -11.150 -10.025 1.00 0.00 H new ATOM 0 HD2 TYR A 99 5.627 -8.811 -11.548 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.870 -10.044 -11.575 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.075 -7.694 -13.095 1.00 0.00 H new ATOM 0 HH TYR A 99 1.985 -7.526 -13.823 1.00 0.00 H new ATOM 1179 N THR A 100 4.911 -11.329 -6.040 1.00 0.00 N ATOM 1180 CA THR A 100 5.196 -12.366 -5.066 1.00 0.00 C ATOM 1181 C THR A 100 3.964 -12.629 -4.199 1.00 0.00 C ATOM 1182 O THR A 100 3.733 -11.943 -3.202 1.00 0.00 O ATOM 1183 CB THR A 100 6.400 -11.986 -4.183 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.500 -11.583 -5.012 1.00 0.00 O ATOM 1185 CG2 THR A 100 6.826 -13.162 -3.318 1.00 0.00 C ATOM 0 H THR A 100 4.425 -10.516 -5.663 1.00 0.00 H new ATOM 0 HA THR A 100 5.451 -13.277 -5.607 1.00 0.00 H new ATOM 0 HB THR A 100 6.104 -11.162 -3.534 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.263 -11.341 -4.447 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.678 -12.871 -2.703 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.998 -13.459 -2.675 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.108 -13.999 -3.956 1.00 0.00 H new ATOM 1193 N PRO A 101 3.165 -13.642 -4.573 1.00 0.00 N ATOM 1194 CA PRO A 101 1.867 -13.939 -3.939 1.00 0.00 C ATOM 1195 C PRO A 101 1.980 -14.496 -2.514 1.00 0.00 C ATOM 1196 O PRO A 101 0.995 -14.972 -1.942 1.00 0.00 O ATOM 1197 CB PRO A 101 1.241 -14.991 -4.869 1.00 0.00 C ATOM 1198 CG PRO A 101 2.071 -14.976 -6.107 1.00 0.00 C ATOM 1199 CD PRO A 101 3.447 -14.579 -5.668 1.00 0.00 C ATOM 0 HA PRO A 101 1.279 -13.029 -3.825 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.247 -15.977 -4.405 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.202 -14.749 -5.091 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.080 -15.956 -6.584 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.674 -14.270 -6.836 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.030 -15.436 -5.331 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.011 -14.107 -6.473 1.00 0.00 H new ATOM 1207 N GLN A 102 3.175 -14.445 -1.949 1.00 0.00 N ATOM 1208 CA GLN A 102 3.380 -14.854 -0.563 1.00 0.00 C ATOM 1209 C GLN A 102 4.071 -13.744 0.223 1.00 0.00 C ATOM 1210 O GLN A 102 4.395 -13.902 1.399 1.00 0.00 O ATOM 1211 CB GLN A 102 4.183 -16.156 -0.480 1.00 0.00 C ATOM 1212 CG GLN A 102 5.576 -16.080 -1.082 1.00 0.00 C ATOM 1213 CD GLN A 102 6.398 -17.322 -0.799 1.00 0.00 C ATOM 1214 OE1 GLN A 102 6.175 -17.936 0.353 1.00 0.00 O flip ATOM 1215 NE2 GLN A 102 7.244 -17.718 -1.601 1.00 0.00 N flip ATOM 0 H GLN A 102 4.019 -14.125 -2.425 1.00 0.00 H new ATOM 0 HA GLN A 102 2.402 -15.039 -0.119 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.269 -16.448 0.567 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.625 -16.944 -0.986 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.496 -15.939 -2.160 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.093 -15.207 -0.684 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.388 -17.219 -2.479 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.801 -18.545 -1.388 1.00 0.00 H new ATOM 1224 N SER A 103 4.289 -12.616 -0.442 1.00 0.00 N ATOM 1225 CA SER A 103 4.873 -11.446 0.198 1.00 0.00 C ATOM 1226 C SER A 103 3.908 -10.271 0.085 1.00 0.00 C ATOM 1227 O SER A 103 3.878 -9.381 0.938 1.00 0.00 O ATOM 1228 CB SER A 103 6.221 -11.101 -0.446 1.00 0.00 C ATOM 1229 OG SER A 103 6.875 -10.047 0.243 1.00 0.00 O ATOM 0 H SER A 103 4.068 -12.488 -1.430 1.00 0.00 H new ATOM 0 HA SER A 103 5.048 -11.663 1.252 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.859 -11.985 -0.451 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.065 -10.815 -1.486 1.00 0.00 H new ATOM 0 HG SER A 103 6.756 -9.209 -0.251 1.00 0.00 H new ATOM 1235 N SER A 104 3.114 -10.280 -0.978 1.00 0.00 N ATOM 1236 CA SER A 104 2.118 -9.248 -1.196 1.00 0.00 C ATOM 1237 C SER A 104 0.733 -9.772 -0.817 1.00 0.00 C ATOM 1238 O SER A 104 0.341 -10.868 -1.224 1.00 0.00 O ATOM 1239 CB SER A 104 2.146 -8.806 -2.659 1.00 0.00 C ATOM 1240 OG SER A 104 3.480 -8.563 -3.079 1.00 0.00 O ATOM 0 H SER A 104 3.144 -10.996 -1.704 1.00 0.00 H new ATOM 0 HA SER A 104 2.344 -8.387 -0.567 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.695 -9.575 -3.286 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.549 -7.903 -2.784 1.00 0.00 H new ATOM 0 HG SER A 104 3.481 -8.282 -4.018 1.00 0.00 H new ATOM 1246 N ILE A 105 0.007 -8.997 -0.026 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.318 -9.391 0.426 1.00 0.00 C ATOM 1248 C ILE A 105 -2.393 -8.609 -0.312 1.00 0.00 C ATOM 1249 O ILE A 105 -2.140 -7.524 -0.839 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.512 -9.177 1.947 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.199 -7.722 2.320 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.649 -10.151 2.746 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.484 -7.373 3.764 1.00 0.00 C ATOM 0 H ILE A 105 0.315 -8.087 0.317 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.409 -10.456 0.211 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.553 -9.378 2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.148 -7.524 2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.781 -7.061 1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -0.802 -9.982 3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.930 -11.174 2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.401 -9.993 2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.235 -6.327 3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.541 -7.535 3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.882 -8.005 4.417 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.587 -9.165 -0.353 1.00 0.00 N ATOM 1266 CA ILE A 106 -4.722 -8.487 -0.939 1.00 0.00 C ATOM 1267 C ILE A 106 -5.787 -8.277 0.140 1.00 0.00 C ATOM 1268 O ILE A 106 -6.163 -9.213 0.851 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.296 -9.271 -2.155 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -6.289 -8.408 -2.935 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -5.947 -10.581 -1.724 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -6.987 -9.139 -4.068 1.00 0.00 C ATOM 0 H ILE A 106 -3.796 -10.093 0.016 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.398 -7.519 -1.320 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.460 -9.518 -2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.041 -8.025 -2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -5.762 -7.545 -3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.336 -11.100 -2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.207 -11.210 -1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.764 -10.371 -1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.674 -8.459 -4.571 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.245 -9.498 -4.781 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.544 -9.986 -3.666 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.225 -7.045 0.310 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.183 -6.729 1.354 1.00 0.00 C ATOM 1286 C CYS A 107 -8.569 -6.521 0.762 1.00 0.00 C ATOM 1287 O CYS A 107 -8.708 -6.216 -0.421 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.738 -5.482 2.126 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.101 -5.650 2.908 1.00 0.00 S ATOM 0 H CYS A 107 -5.935 -6.249 -0.258 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.228 -7.569 2.047 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.720 -4.631 1.445 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.477 -5.259 2.895 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.589 -6.714 1.580 1.00 0.00 N ATOM 1295 CA TYR A 108 -10.960 -6.496 1.159 1.00 0.00 C ATOM 1296 C TYR A 108 -11.639 -5.526 2.116 1.00 0.00 C ATOM 1297 O TYR A 108 -11.293 -5.469 3.296 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.726 -7.818 1.097 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.213 -8.766 0.034 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.463 -8.526 -1.312 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.478 -9.898 0.371 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -10.997 -9.384 -2.290 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.009 -10.761 -0.601 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.270 -10.498 -1.930 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.806 -11.356 -2.902 1.00 0.00 O ATOM 0 H TYR A 108 -9.491 -7.024 2.547 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.958 -6.065 0.158 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.667 -8.308 2.069 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.779 -7.610 0.909 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.031 -7.654 -1.599 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.270 -10.106 1.410 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.202 -9.183 -3.331 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.441 -11.636 -0.322 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.312 -12.090 -2.481 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.590 -4.764 1.601 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.247 -3.757 2.403 1.00 0.00 C ATOM 1317 C GLY A 109 -13.206 -2.401 1.736 1.00 0.00 C ATOM 1318 O GLY A 109 -13.099 -2.313 0.513 1.00 0.00 O ATOM 0 H GLY A 109 -12.919 -4.826 0.638 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.283 -4.047 2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.766 -3.698 3.379 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.277 -1.347 2.532 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.270 0.007 2.001 1.00 0.00 C ATOM 1324 C GLN A 110 -11.838 0.499 1.839 1.00 0.00 C ATOM 1325 O GLN A 110 -10.946 0.085 2.582 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.037 0.946 2.932 1.00 0.00 C ATOM 1327 CG GLN A 110 -14.463 2.244 2.262 1.00 0.00 C ATOM 1328 CD GLN A 110 -15.055 3.246 3.234 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -14.505 3.309 4.434 1.00 0.00 O flip ATOM 1330 NE2 GLN A 110 -15.970 3.993 2.889 1.00 0.00 N flip ATOM 0 H GLN A 110 -13.340 -1.402 3.549 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.757 -0.000 1.026 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.922 0.432 3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.414 1.179 3.796 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -13.601 2.691 1.768 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.196 2.022 1.486 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.368 3.913 1.953 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.330 4.692 3.539 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.635 1.381 0.863 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.326 1.958 0.584 1.00 0.00 C ATOM 1341 C LEU A 111 -9.713 2.557 1.849 1.00 0.00 C ATOM 1342 O LEU A 111 -10.224 3.530 2.400 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.459 3.033 -0.503 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.183 3.822 -0.826 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.119 2.926 -1.441 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.503 4.982 -1.758 1.00 0.00 C ATOM 0 H LEU A 111 -12.374 1.715 0.244 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.664 1.167 0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.809 2.555 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.231 3.738 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.786 4.218 0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.228 3.515 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.866 2.129 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.500 2.490 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.589 5.534 -1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.928 4.597 -2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.221 5.647 -1.278 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.628 1.952 2.311 1.00 0.00 N ATOM 1359 CA GLY A 112 -7.955 2.438 3.498 1.00 0.00 C ATOM 1360 C GLY A 112 -7.977 1.432 4.628 1.00 0.00 C ATOM 1361 O GLY A 112 -7.151 1.497 5.540 1.00 0.00 O ATOM 0 H GLY A 112 -8.201 1.131 1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.921 2.681 3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.430 3.362 3.829 1.00 0.00 H new ATOM 1365 N SER A 113 -8.920 0.505 4.570 1.00 0.00 N ATOM 1366 CA SER A 113 -9.046 -0.512 5.599 1.00 0.00 C ATOM 1367 C SER A 113 -8.180 -1.727 5.277 1.00 0.00 C ATOM 1368 O SER A 113 -8.379 -2.399 4.265 1.00 0.00 O ATOM 1369 CB SER A 113 -10.508 -0.938 5.762 1.00 0.00 C ATOM 1370 OG SER A 113 -10.643 -1.909 6.792 1.00 0.00 O ATOM 0 H SER A 113 -9.609 0.437 3.821 1.00 0.00 H new ATOM 0 HA SER A 113 -8.699 -0.080 6.538 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.121 -0.067 5.995 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.879 -1.346 4.822 1.00 0.00 H new ATOM 0 HG SER A 113 -11.585 -2.165 6.879 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.211 -1.992 6.140 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.372 -3.179 6.032 1.00 0.00 C ATOM 1378 C PHE A 114 -6.769 -4.169 7.119 1.00 0.00 C ATOM 1379 O PHE A 114 -5.960 -4.967 7.591 1.00 0.00 O ATOM 1380 CB PHE A 114 -4.891 -2.813 6.185 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.367 -1.883 5.124 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -3.897 -2.379 3.918 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.330 -0.512 5.339 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.403 -1.529 2.948 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.837 0.343 4.371 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.373 -0.166 3.175 1.00 0.00 C ATOM 0 H PHE A 114 -6.983 -1.393 6.933 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.516 -3.626 5.048 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.743 -2.351 7.161 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.300 -3.729 6.172 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -3.917 -3.443 3.735 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.691 -0.109 6.274 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -3.040 -1.929 2.013 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.815 1.408 4.550 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.987 0.500 2.417 1.00 0.00 H new ATOM 1396 N SER A 115 -8.030 -4.104 7.519 1.00 0.00 N ATOM 1397 CA SER A 115 -8.522 -4.904 8.629 1.00 0.00 C ATOM 1398 C SER A 115 -9.030 -6.264 8.148 1.00 0.00 C ATOM 1399 O SER A 115 -9.547 -7.056 8.933 1.00 0.00 O ATOM 1400 CB SER A 115 -9.633 -4.143 9.363 1.00 0.00 C ATOM 1401 OG SER A 115 -9.932 -4.740 10.611 1.00 0.00 O ATOM 0 H SER A 115 -8.733 -3.503 7.089 1.00 0.00 H new ATOM 0 HA SER A 115 -7.697 -5.085 9.318 1.00 0.00 H new ATOM 0 HB2 SER A 115 -9.326 -3.108 9.517 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.530 -4.121 8.745 1.00 0.00 H new ATOM 0 HG SER A 115 -9.933 -5.715 10.515 1.00 0.00 H new ATOM 1407 N ASN A 116 -8.876 -6.529 6.860 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.302 -7.796 6.275 1.00 0.00 C ATOM 1409 C ASN A 116 -8.438 -8.118 5.065 1.00 0.00 C ATOM 1410 O ASN A 116 -8.719 -7.667 3.957 1.00 0.00 O ATOM 1411 CB ASN A 116 -10.778 -7.736 5.857 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.281 -9.045 5.265 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -12.122 -9.050 4.366 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -10.787 -10.167 5.769 1.00 0.00 N ATOM 0 H ASN A 116 -8.457 -5.880 6.194 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.188 -8.579 7.025 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.386 -7.479 6.725 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -10.911 -6.938 5.126 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -11.103 -11.069 5.412 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -10.091 -10.129 6.514 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.385 -8.891 5.275 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.441 -9.175 4.207 1.00 0.00 C ATOM 1423 C CYS A 117 -6.051 -10.649 4.181 1.00 0.00 C ATOM 1424 O CYS A 117 -6.030 -11.319 5.216 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.185 -8.318 4.372 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.511 -6.550 4.680 1.00 0.00 S ATOM 0 H CYS A 117 -7.163 -9.330 6.169 1.00 0.00 H new ATOM 0 HA CYS A 117 -6.930 -8.934 3.263 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.595 -8.715 5.198 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.576 -8.411 3.473 1.00 0.00 H new ATOM 1431 N SER A 118 -5.750 -11.132 2.984 1.00 0.00 N ATOM 1432 CA SER A 118 -5.266 -12.490 2.767 1.00 0.00 C ATOM 1433 C SER A 118 -4.209 -12.453 1.663 1.00 0.00 C ATOM 1434 O SER A 118 -4.237 -11.561 0.818 1.00 0.00 O ATOM 1435 CB SER A 118 -6.430 -13.406 2.363 1.00 0.00 C ATOM 1436 OG SER A 118 -7.477 -13.370 3.327 1.00 0.00 O ATOM 0 H SER A 118 -5.836 -10.587 2.126 1.00 0.00 H new ATOM 0 HA SER A 118 -4.829 -12.884 3.684 1.00 0.00 H new ATOM 0 HB2 SER A 118 -6.817 -13.098 1.392 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.069 -14.429 2.253 1.00 0.00 H new ATOM 0 HG SER A 118 -8.205 -13.961 3.042 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.254 -13.378 1.690 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.224 -13.414 0.653 1.00 0.00 C ATOM 1444 C HIS A 119 -2.853 -13.753 -0.698 1.00 0.00 C ATOM 1445 O HIS A 119 -3.638 -14.698 -0.809 1.00 0.00 O ATOM 1446 CB HIS A 119 -1.094 -14.401 1.005 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.396 -15.845 0.737 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -0.894 -16.520 -0.358 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -2.135 -16.747 1.425 1.00 0.00 C ATOM 1450 CE1 HIS A 119 -1.310 -17.769 -0.333 1.00 0.00 C ATOM 1451 NE2 HIS A 119 -2.065 -17.938 0.739 1.00 0.00 N ATOM 0 H HIS A 119 -3.170 -14.101 2.404 1.00 0.00 H new ATOM 0 HA HIS A 119 -1.772 -12.424 0.590 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -0.203 -14.123 0.442 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -0.852 -14.288 2.062 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -0.294 -16.114 -1.076 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -2.678 -16.566 2.341 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -1.074 -18.527 -1.065 1.00 0.00 H new ATOM 1459 N SER A 120 -2.515 -12.967 -1.708 1.00 0.00 N ATOM 1460 CA SER A 120 -3.128 -13.085 -3.021 1.00 0.00 C ATOM 1461 C SER A 120 -2.822 -14.438 -3.658 1.00 0.00 C ATOM 1462 O SER A 120 -1.661 -14.810 -3.810 1.00 0.00 O ATOM 1463 CB SER A 120 -2.610 -11.964 -3.921 1.00 0.00 C ATOM 1464 OG SER A 120 -2.626 -10.720 -3.239 1.00 0.00 O ATOM 0 H SER A 120 -1.811 -12.232 -1.641 1.00 0.00 H new ATOM 0 HA SER A 120 -4.209 -13.004 -2.905 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.595 -12.192 -4.246 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.225 -11.899 -4.819 1.00 0.00 H new ATOM 0 HG SER A 120 -2.096 -10.065 -3.740 1.00 0.00 H new ATOM 1470 N ARG A 121 -3.862 -15.175 -4.022 1.00 0.00 N ATOM 1471 CA ARG A 121 -3.682 -16.436 -4.724 1.00 0.00 C ATOM 1472 C ARG A 121 -4.014 -16.244 -6.203 1.00 0.00 C ATOM 1473 O ARG A 121 -4.917 -16.881 -6.755 1.00 0.00 O ATOM 1474 CB ARG A 121 -4.545 -17.537 -4.100 1.00 0.00 C ATOM 1475 CG ARG A 121 -4.226 -18.928 -4.627 1.00 0.00 C ATOM 1476 CD ARG A 121 -4.938 -20.012 -3.837 1.00 0.00 C ATOM 1477 NE ARG A 121 -4.638 -21.343 -4.361 1.00 0.00 N ATOM 1478 CZ ARG A 121 -4.055 -22.308 -3.657 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -3.642 -22.074 -2.420 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -3.867 -23.502 -4.194 1.00 0.00 N ATOM 0 H ARG A 121 -4.834 -14.923 -3.844 1.00 0.00 H new ATOM 0 HA ARG A 121 -2.642 -16.751 -4.634 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -4.408 -17.526 -3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -5.595 -17.317 -4.291 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.516 -18.994 -5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -3.150 -19.095 -4.583 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.639 -19.956 -2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -6.014 -19.841 -3.871 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.892 -21.544 -5.328 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.771 -21.151 -2.005 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -3.195 -22.817 -1.882 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -4.170 -23.684 -5.151 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.419 -24.241 -3.651 1.00 0.00 H new ATOM 1493 N ASN A 122 -3.284 -15.331 -6.823 1.00 0.00 N ATOM 1494 CA ASN A 122 -3.452 -15.014 -8.234 1.00 0.00 C ATOM 1495 C ASN A 122 -2.142 -14.466 -8.785 1.00 0.00 C ATOM 1496 O ASN A 122 -1.454 -13.694 -8.115 1.00 0.00 O ATOM 1497 CB ASN A 122 -4.591 -13.999 -8.430 1.00 0.00 C ATOM 1498 CG ASN A 122 -4.388 -12.704 -7.657 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -4.739 -12.608 -6.480 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -3.847 -11.692 -8.318 1.00 0.00 N ATOM 0 H ASN A 122 -2.556 -14.786 -6.361 1.00 0.00 H new ATOM 0 HA ASN A 122 -3.718 -15.921 -8.777 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -4.684 -13.769 -9.491 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -5.531 -14.455 -8.119 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -3.708 -10.795 -7.853 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -3.569 -11.810 -9.292 1.00 0.00 H new ATOM 1507 N ASP A 123 -1.797 -14.885 -9.998 1.00 0.00 N ATOM 1508 CA ASP A 123 -0.503 -14.549 -10.588 1.00 0.00 C ATOM 1509 C ASP A 123 -0.454 -13.100 -11.042 1.00 0.00 C ATOM 1510 O ASP A 123 0.608 -12.485 -11.047 1.00 0.00 O ATOM 1511 CB ASP A 123 -0.172 -15.463 -11.774 1.00 0.00 C ATOM 1512 CG ASP A 123 0.046 -16.911 -11.375 1.00 0.00 C ATOM 1513 OD1 ASP A 123 0.431 -17.170 -10.217 1.00 0.00 O ATOM 1514 OD2 ASP A 123 -0.167 -17.805 -12.226 1.00 0.00 O ATOM 0 H ASP A 123 -2.395 -15.458 -10.593 1.00 0.00 H new ATOM 0 HA ASP A 123 0.242 -14.698 -9.807 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -0.983 -15.412 -12.500 1.00 0.00 H new ATOM 0 HB3 ASP A 123 0.724 -15.092 -12.271 1.00 0.00 H new ATOM 1519 N MET A 124 -1.599 -12.552 -11.427 1.00 0.00 N ATOM 1520 CA MET A 124 -1.656 -11.158 -11.857 1.00 0.00 C ATOM 1521 C MET A 124 -1.814 -10.227 -10.651 1.00 0.00 C ATOM 1522 O MET A 124 -2.810 -9.519 -10.505 1.00 0.00 O ATOM 1523 CB MET A 124 -2.780 -10.930 -12.883 1.00 0.00 C ATOM 1524 CG MET A 124 -4.182 -11.270 -12.394 1.00 0.00 C ATOM 1525 SD MET A 124 -5.463 -10.725 -13.545 1.00 0.00 S ATOM 1526 CE MET A 124 -5.122 -8.965 -13.621 1.00 0.00 C ATOM 0 H MET A 124 -2.492 -13.043 -11.451 1.00 0.00 H new ATOM 0 HA MET A 124 -0.713 -10.922 -12.350 1.00 0.00 H new ATOM 0 HB2 MET A 124 -2.763 -9.884 -13.190 1.00 0.00 H new ATOM 0 HB3 MET A 124 -2.567 -11.526 -13.770 1.00 0.00 H new ATOM 0 HG2 MET A 124 -4.262 -12.347 -12.249 1.00 0.00 H new ATOM 0 HG3 MET A 124 -4.348 -10.804 -11.423 1.00 0.00 H new ATOM 0 HE1 MET A 124 -6.045 -8.424 -13.830 1.00 0.00 H new ATOM 0 HE2 MET A 124 -4.715 -8.632 -12.667 1.00 0.00 H new ATOM 0 HE3 MET A 124 -4.399 -8.768 -14.413 1.00 0.00 H new ATOM 1536 N CYS A 125 -0.821 -10.245 -9.778 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.833 -9.405 -8.590 1.00 0.00 C ATOM 1538 C CYS A 125 0.210 -8.298 -8.715 1.00 0.00 C ATOM 1539 O CYS A 125 1.368 -8.468 -8.321 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.576 -10.252 -7.334 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.421 -9.305 -5.775 1.00 0.00 S ATOM 0 H CYS A 125 0.007 -10.834 -9.869 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.816 -8.944 -8.497 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.390 -10.969 -7.226 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.338 -10.827 -7.484 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.193 -7.179 -9.306 1.00 0.00 N ATOM 1547 CA HIS A 126 0.664 -6.005 -9.372 1.00 0.00 C ATOM 1548 C HIS A 126 0.857 -5.429 -7.974 1.00 0.00 C ATOM 1549 O HIS A 126 -0.041 -5.492 -7.137 1.00 0.00 O ATOM 1550 CB HIS A 126 0.077 -4.944 -10.311 1.00 0.00 C ATOM 1551 CG HIS A 126 0.796 -4.840 -11.621 1.00 0.00 C ATOM 1552 ND1 HIS A 126 0.274 -4.199 -12.724 1.00 0.00 N ATOM 1553 CD2 HIS A 126 2.015 -5.293 -11.996 1.00 0.00 C ATOM 1554 CE1 HIS A 126 1.138 -4.262 -13.719 1.00 0.00 C ATOM 1555 NE2 HIS A 126 2.205 -4.920 -13.305 1.00 0.00 N ATOM 0 H HIS A 126 -1.106 -7.062 -9.745 1.00 0.00 H new ATOM 0 HA HIS A 126 1.632 -6.306 -9.773 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.971 -5.177 -10.499 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.104 -3.975 -9.813 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -0.639 -3.746 -12.765 1.00 0.00 H new ATOM 0 HD2 HIS A 126 2.710 -5.845 -11.381 1.00 0.00 H new ATOM 0 HE1 HIS A 126 0.996 -3.846 -14.705 1.00 0.00 H new ATOM 1563 N SER A 127 2.028 -4.879 -7.720 1.00 0.00 N ATOM 1564 CA SER A 127 2.345 -4.379 -6.397 1.00 0.00 C ATOM 1565 C SER A 127 1.923 -2.920 -6.257 1.00 0.00 C ATOM 1566 O SER A 127 2.296 -2.069 -7.074 1.00 0.00 O ATOM 1567 CB SER A 127 3.840 -4.545 -6.129 1.00 0.00 C ATOM 1568 OG SER A 127 4.254 -5.870 -6.431 1.00 0.00 O ATOM 0 H SER A 127 2.772 -4.767 -8.408 1.00 0.00 H new ATOM 0 HA SER A 127 1.791 -4.956 -5.657 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.405 -3.834 -6.732 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.056 -4.319 -5.085 1.00 0.00 H new ATOM 0 HG SER A 127 4.474 -6.341 -5.600 1.00 0.00 H new ATOM 1574 N LEU A 128 1.141 -2.641 -5.226 1.00 0.00 N ATOM 1575 CA LEU A 128 0.624 -1.304 -4.999 1.00 0.00 C ATOM 1576 C LEU A 128 1.668 -0.467 -4.270 1.00 0.00 C ATOM 1577 O LEU A 128 2.194 -0.872 -3.230 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.690 -1.373 -4.207 1.00 0.00 C ATOM 1579 CG LEU A 128 -1.510 -0.078 -4.153 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.970 -0.395 -3.869 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -0.971 0.864 -3.090 1.00 0.00 C ATOM 0 H LEU A 128 0.850 -3.328 -4.531 1.00 0.00 H new ATOM 0 HA LEU A 128 0.412 -0.828 -5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.312 -2.156 -4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.460 -1.677 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.430 0.415 -5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.543 0.531 -3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -3.364 -1.035 -4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -3.051 -0.909 -2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -1.570 1.774 -3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -1.020 0.379 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.065 1.116 -3.318 1.00 0.00 H new ATOM 1593 N GLY A 129 1.972 0.688 -4.829 1.00 0.00 N ATOM 1594 CA GLY A 129 2.973 1.550 -4.252 1.00 0.00 C ATOM 1595 C GLY A 129 2.482 2.963 -4.067 1.00 0.00 C ATOM 1596 O GLY A 129 1.432 3.346 -4.595 1.00 0.00 O ATOM 0 H GLY A 129 1.539 1.047 -5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.282 1.147 -3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.855 1.556 -4.892 1.00 0.00 H new ATOM 1600 N LEU A 130 3.248 3.737 -3.320 1.00 0.00 N ATOM 1601 CA LEU A 130 2.898 5.111 -3.030 1.00 0.00 C ATOM 1602 C LEU A 130 4.048 6.028 -3.442 1.00 0.00 C ATOM 1603 O LEU A 130 5.202 5.795 -3.080 1.00 0.00 O ATOM 1604 CB LEU A 130 2.592 5.256 -1.535 1.00 0.00 C ATOM 1605 CG LEU A 130 2.144 6.645 -1.068 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.883 7.090 -1.792 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.913 6.640 0.436 1.00 0.00 C ATOM 0 H LEU A 130 4.126 3.431 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 130 2.010 5.395 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.814 4.539 -1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.484 4.977 -0.974 1.00 0.00 H new ATOM 0 HG LEU A 130 2.936 7.355 -1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.590 8.079 -1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.074 7.129 -2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.079 6.381 -1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.595 7.631 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.140 5.913 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.839 6.372 0.945 1.00 0.00 H new ATOM 1619 N THR A 131 3.734 7.042 -4.229 1.00 0.00 N ATOM 1620 CA THR A 131 4.729 7.995 -4.695 1.00 0.00 C ATOM 1621 C THR A 131 4.490 9.352 -4.041 1.00 0.00 C ATOM 1622 O THR A 131 3.606 10.097 -4.462 1.00 0.00 O ATOM 1623 CB THR A 131 4.656 8.152 -6.227 1.00 0.00 C ATOM 1624 OG1 THR A 131 4.521 6.864 -6.840 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.897 8.845 -6.771 1.00 0.00 C ATOM 0 H THR A 131 2.788 7.228 -4.562 1.00 0.00 H new ATOM 0 HA THR A 131 5.716 7.621 -4.423 1.00 0.00 H new ATOM 0 HB THR A 131 3.788 8.768 -6.462 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.366 6.373 -6.760 1.00 0.00 H new ATOM 0 HG21 THR A 131 5.815 8.941 -7.854 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.986 9.836 -6.325 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.780 8.256 -6.525 1.00 0.00 H new ATOM 1633 N CYS A 132 5.254 9.661 -3.007 1.00 0.00 N ATOM 1634 CA CYS A 132 5.073 10.912 -2.276 1.00 0.00 C ATOM 1635 C CYS A 132 6.070 11.963 -2.752 1.00 0.00 C ATOM 1636 O CYS A 132 7.113 11.624 -3.315 1.00 0.00 O ATOM 1637 CB CYS A 132 5.250 10.667 -0.773 1.00 0.00 C ATOM 1638 SG CYS A 132 4.306 9.243 -0.144 1.00 0.00 S ATOM 0 H CYS A 132 6.004 9.068 -2.653 1.00 0.00 H new ATOM 0 HA CYS A 132 4.065 11.281 -2.465 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.308 10.511 -0.562 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.945 11.562 -0.230 1.00 0.00 H new ATOM 1643 N LEU A 133 5.731 13.238 -2.554 1.00 0.00 N ATOM 1644 CA LEU A 133 6.655 14.327 -2.849 1.00 0.00 C ATOM 1645 C LEU A 133 7.871 14.240 -1.941 1.00 0.00 C ATOM 1646 O LEU A 133 7.836 14.674 -0.785 1.00 0.00 O ATOM 1647 CB LEU A 133 5.981 15.691 -2.683 1.00 0.00 C ATOM 1648 CG LEU A 133 5.122 16.147 -3.864 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.400 17.439 -3.524 1.00 0.00 C ATOM 1650 CD2 LEU A 133 5.980 16.343 -5.105 1.00 0.00 C ATOM 0 H LEU A 133 4.826 13.538 -2.192 1.00 0.00 H new ATOM 0 HA LEU A 133 6.969 14.227 -3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.356 15.662 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.753 16.440 -2.507 1.00 0.00 H new ATOM 0 HG LEU A 133 4.383 15.372 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.793 17.751 -4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.757 17.280 -2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.131 18.215 -3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.351 16.667 -5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.739 17.100 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.465 15.402 -5.364 1.00 0.00 H new ATOM 1662 N GLU A 134 8.927 13.657 -2.472 1.00 0.00 N ATOM 1663 CA GLU A 134 10.151 13.445 -1.728 1.00 0.00 C ATOM 1664 C GLU A 134 11.270 14.275 -2.336 1.00 0.00 C ATOM 1665 O GLU A 134 11.673 13.981 -3.480 1.00 0.00 O ATOM 1666 CB GLU A 134 10.514 11.960 -1.742 1.00 0.00 C ATOM 1667 CG GLU A 134 11.765 11.624 -0.953 1.00 0.00 C ATOM 1668 CD GLU A 134 12.120 10.156 -1.030 1.00 0.00 C ATOM 1669 OE1 GLU A 134 11.389 9.388 -1.693 1.00 0.00 O ATOM 1670 OE2 GLU A 134 13.139 9.758 -0.430 1.00 0.00 O ATOM 1671 OXT GLU A 134 11.738 15.223 -1.673 1.00 0.00 O ATOM 0 H GLU A 134 8.960 13.317 -3.433 1.00 0.00 H new ATOM 0 HA GLU A 134 10.007 13.758 -0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 134 9.678 11.388 -1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 134 10.651 11.640 -2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.599 12.217 -1.330 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.620 11.905 0.090 1.00 0.00 H new