USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=34 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 113 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 115 SER OG : rot -46:sc= 1.28 USER MOD Set 2.1: A 58 MET CE :methyl 172:sc= -0.252 (180deg=-0.613) USER MOD Set 2.2: A 98 THR OG1 : rot 180:sc= 1.02 USER MOD Set 2.3: A 100 THR OG1 : rot 180:sc= 0.0377 USER MOD Set 2.4: A 104 SER OG : rot 88:sc= 0.391 USER MOD Set 2.5: A 127 SER OG : rot -178:sc= 1.7 USER MOD Set 3.1: A 61 SER OG : rot -18:sc= -0.301 USER MOD Set 3.2: A 68 SER OG : rot 173:sc= 1.32 USER MOD Set 3.3: A 126 HIS : no HD1:sc= 0.884 K(o=1.9,f=-6.4!) USER MOD Set 4.1: A 38 THR OG1 : rot 140:sc= 0.596 USER MOD Set 4.2: A 40 SER OG : rot -90:sc= 0.082 USER MOD Set 4.3: A 41 ASN : amide:sc= 0.126 X(o=0.33,f=0.22!) USER MOD Set 4.4: A 42 SER OG : rot 180:sc= 0.0463 USER MOD Set 4.5: A 47 GLN : amide:sc= -0.522 X(o=0.33,f=0.29) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0646 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.36) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 1.11 (180deg=1.05) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= -0.054 (180deg=-0.265) USER MOD Single : A 57 HIS : no HE2:sc= 0.0074 X(o=0.0074,f=-0.15) USER MOD Single : A 62 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.19) USER MOD Single : A 63 SER OG : rot 97:sc= 1.9 USER MOD Single : A 67 SER OG : rot 180:sc= -1.58! USER MOD Single : A 69 LYS NZ :NH3+ 133:sc= 0.173 (180deg=-0.434) USER MOD Single : A 70 GLN : amide:sc= -0.649 K(o=-0.65,f=-6.6!) USER MOD Single : A 75 SER OG : rot 72:sc= 1.38 USER MOD Single : A 76 GLN : amide:sc= -0.468 K(o=-0.47,f=-3.8!) USER MOD Single : A 78 SER OG : rot 77:sc= 1.22 USER MOD Single : A 79 LYS NZ :NH3+ -167:sc= 0.924 (180deg=0.625) USER MOD Single : A 82 GLN : amide:sc= 0.109 X(o=0.11,f=-0.054) USER MOD Single : A 85 ASN : amide:sc= -0.253 K(o=-0.25,f=-0.99) 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 99 TYR OH : rot 180:sc= -0.0397 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 103 SER OG : rot 180:sc= -0.658 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.0185 K(o=-0.019,f=-1.2!) USER MOD Single : A 116 ASN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HE2:sc= -3.1! C(o=-3.1!,f=-6.1!) USER MOD Single : A 120 SER OG : rot 180:sc= 0.0256 USER MOD Single : A 122 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 124 MET CE :methyl -166:sc= -0.0716 (180deg=-0.422) USER MOD Single : A 131 THR OG1 : rot -76:sc= 0.0529 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -8.735 -1.843 11.279 1.00 0.00 N ATOM 24 CA LEU A 26 -7.359 -1.459 11.013 1.00 0.00 C ATOM 25 C LEU A 26 -7.329 -0.391 9.932 1.00 0.00 C ATOM 26 O LEU A 26 -7.301 -0.697 8.747 1.00 0.00 O ATOM 27 CB LEU A 26 -6.525 -2.668 10.576 1.00 0.00 C ATOM 28 CG LEU A 26 -6.327 -3.756 11.634 1.00 0.00 C ATOM 29 CD1 LEU A 26 -5.554 -4.926 11.048 1.00 0.00 C ATOM 30 CD2 LEU A 26 -5.601 -3.196 12.847 1.00 0.00 C ATOM 0 HA LEU A 26 -6.926 -1.063 11.932 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.000 -3.117 9.704 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.544 -2.314 10.258 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.307 -4.110 11.953 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.420 -5.693 11.811 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.108 -5.344 10.207 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.578 -4.582 10.704 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.469 -3.984 13.588 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.625 -2.816 12.544 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.187 -2.385 13.280 1.00 0.00 H new ATOM 42 N SER A 27 -7.357 0.861 10.336 1.00 0.00 N ATOM 43 CA SER A 27 -7.339 1.957 9.386 1.00 0.00 C ATOM 44 C SER A 27 -5.960 2.588 9.370 1.00 0.00 C ATOM 45 O SER A 27 -5.232 2.523 10.359 1.00 0.00 O ATOM 46 CB SER A 27 -8.389 3.003 9.770 1.00 0.00 C ATOM 47 OG SER A 27 -8.434 4.062 8.827 1.00 0.00 O ATOM 0 H SER A 27 -7.392 1.147 11.314 1.00 0.00 H new ATOM 0 HA SER A 27 -7.573 1.575 8.392 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.369 2.530 9.835 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.162 3.403 10.758 1.00 0.00 H new ATOM 0 HG SER A 27 -9.115 4.713 9.098 1.00 0.00 H new ATOM 53 N TRP A 28 -5.598 3.201 8.246 1.00 0.00 N ATOM 54 CA TRP A 28 -4.334 3.919 8.167 1.00 0.00 C ATOM 55 C TRP A 28 -4.412 5.217 8.964 1.00 0.00 C ATOM 56 O TRP A 28 -3.441 5.964 9.054 1.00 0.00 O ATOM 57 CB TRP A 28 -3.909 4.182 6.709 1.00 0.00 C ATOM 58 CG TRP A 28 -4.931 4.866 5.838 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.925 5.722 6.223 1.00 0.00 C ATOM 60 CD2 TRP A 28 -5.030 4.764 4.409 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.644 6.139 5.130 1.00 0.00 N ATOM 62 CE2 TRP A 28 -6.114 5.566 4.006 1.00 0.00 C ATOM 63 CE3 TRP A 28 -4.311 4.064 3.432 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -6.494 5.691 2.673 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.690 4.192 2.106 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.773 4.999 1.739 1.00 0.00 C ATOM 0 H TRP A 28 -6.154 3.214 7.391 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.564 3.287 8.609 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.004 4.789 6.719 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.648 3.229 6.249 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.117 6.027 7.241 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.443 6.773 5.152 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.477 3.436 3.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.329 6.313 2.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.141 3.660 1.343 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.045 5.077 0.697 1.00 0.00 H new ATOM 77 N TYR A 29 -5.583 5.465 9.547 1.00 0.00 N ATOM 78 CA TYR A 29 -5.792 6.605 10.425 1.00 0.00 C ATOM 79 C TYR A 29 -5.283 6.295 11.832 1.00 0.00 C ATOM 80 O TYR A 29 -4.873 7.199 12.564 1.00 0.00 O ATOM 81 CB TYR A 29 -7.284 6.977 10.459 1.00 0.00 C ATOM 82 CG TYR A 29 -7.644 7.969 11.546 1.00 0.00 C ATOM 83 CD1 TYR A 29 -7.344 9.320 11.419 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.271 7.542 12.709 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.661 10.216 12.424 1.00 0.00 C ATOM 86 CE2 TYR A 29 -8.586 8.429 13.715 1.00 0.00 C ATOM 87 CZ TYR A 29 -8.280 9.764 13.570 1.00 0.00 C ATOM 88 OH TYR A 29 -8.587 10.647 14.580 1.00 0.00 O ATOM 0 H TYR A 29 -6.409 4.880 9.422 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.229 7.455 10.038 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.567 7.394 9.492 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.872 6.070 10.599 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.857 9.675 10.523 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.516 6.497 12.827 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.425 11.264 12.312 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.071 8.079 14.614 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.021 10.165 15.315 1.00 0.00 H new ATOM 98 N ASP A 30 -5.301 5.013 12.200 1.00 0.00 N ATOM 99 CA ASP A 30 -4.843 4.585 13.519 1.00 0.00 C ATOM 100 C ASP A 30 -3.374 4.953 13.713 1.00 0.00 C ATOM 101 O ASP A 30 -2.549 4.748 12.823 1.00 0.00 O ATOM 102 CB ASP A 30 -5.033 3.074 13.703 1.00 0.00 C ATOM 103 CG ASP A 30 -6.491 2.664 13.825 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.144 2.422 12.788 1.00 0.00 O ATOM 105 OD2 ASP A 30 -6.994 2.566 14.968 1.00 0.00 O ATOM 0 H ASP A 30 -5.628 4.254 11.602 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.443 5.100 14.269 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.585 2.552 12.857 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.496 2.753 14.596 1.00 0.00 H new ATOM 110 N PRO A 31 -3.036 5.518 14.881 1.00 0.00 N ATOM 111 CA PRO A 31 -1.684 6.007 15.172 1.00 0.00 C ATOM 112 C PRO A 31 -0.684 4.873 15.343 1.00 0.00 C ATOM 113 O PRO A 31 0.517 5.058 15.157 1.00 0.00 O ATOM 114 CB PRO A 31 -1.842 6.773 16.494 1.00 0.00 C ATOM 115 CG PRO A 31 -3.311 6.888 16.722 1.00 0.00 C ATOM 116 CD PRO A 31 -3.937 5.724 16.015 1.00 0.00 C ATOM 0 HA PRO A 31 -1.297 6.618 14.356 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.359 6.242 17.314 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.377 7.757 16.434 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.542 6.867 17.787 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.693 7.831 16.332 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.992 4.843 16.654 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.954 5.946 15.690 1.00 0.00 H new ATOM 124 N ASP A 32 -1.189 3.706 15.705 1.00 0.00 N ATOM 125 CA ASP A 32 -0.350 2.532 15.908 1.00 0.00 C ATOM 126 C ASP A 32 -0.240 1.704 14.630 1.00 0.00 C ATOM 127 O ASP A 32 0.465 0.692 14.592 1.00 0.00 O ATOM 128 CB ASP A 32 -0.911 1.672 17.040 1.00 0.00 C ATOM 129 CG ASP A 32 -2.350 1.271 16.803 1.00 0.00 C ATOM 130 OD1 ASP A 32 -3.245 2.127 16.976 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.593 0.105 16.442 1.00 0.00 O ATOM 0 H ASP A 32 -2.183 3.544 15.866 1.00 0.00 H new ATOM 0 HA ASP A 32 0.649 2.875 16.178 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.300 0.776 17.148 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.840 2.221 17.979 1.00 0.00 H new ATOM 136 N PHE A 33 -0.934 2.138 13.583 1.00 0.00 N ATOM 137 CA PHE A 33 -0.868 1.460 12.295 1.00 0.00 C ATOM 138 C PHE A 33 0.424 1.841 11.582 1.00 0.00 C ATOM 139 O PHE A 33 0.544 2.934 11.028 1.00 0.00 O ATOM 140 CB PHE A 33 -2.080 1.820 11.427 1.00 0.00 C ATOM 141 CG PHE A 33 -2.140 1.062 10.129 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.655 -0.223 10.086 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.686 1.639 8.954 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.717 -0.919 8.894 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.747 0.948 7.759 1.00 0.00 C ATOM 146 CZ PHE A 33 -2.262 -0.332 7.729 1.00 0.00 C ATOM 0 H PHE A 33 -1.546 2.953 13.601 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.882 0.383 12.465 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.991 1.627 11.993 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.058 2.889 11.213 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.012 -0.686 10.994 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.280 2.640 8.972 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.121 -1.921 8.873 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.392 1.409 6.849 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.309 -0.874 6.796 1.00 0.00 H new ATOM 156 N GLN A 34 1.392 0.941 11.610 1.00 0.00 N ATOM 157 CA GLN A 34 2.684 1.204 10.998 1.00 0.00 C ATOM 158 C GLN A 34 2.658 0.865 9.516 1.00 0.00 C ATOM 159 O GLN A 34 2.197 -0.207 9.120 1.00 0.00 O ATOM 160 CB GLN A 34 3.785 0.408 11.698 1.00 0.00 C ATOM 161 CG GLN A 34 4.029 0.839 13.133 1.00 0.00 C ATOM 162 CD GLN A 34 4.381 2.307 13.258 1.00 0.00 C ATOM 163 OE1 GLN A 34 3.506 3.156 13.414 1.00 0.00 O ATOM 164 NE2 GLN A 34 5.665 2.614 13.201 1.00 0.00 N ATOM 0 H GLN A 34 1.309 0.024 12.049 1.00 0.00 H new ATOM 0 HA GLN A 34 2.897 2.267 11.108 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.521 -0.650 11.685 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.712 0.512 11.134 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.137 0.633 13.725 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.837 0.240 13.554 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.360 1.879 13.070 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.961 3.586 13.288 1.00 0.00 H new ATOM 173 N ALA A 35 3.143 1.789 8.703 1.00 0.00 N ATOM 174 CA ALA A 35 3.239 1.579 7.269 1.00 0.00 C ATOM 175 C ALA A 35 4.484 2.265 6.728 1.00 0.00 C ATOM 176 O ALA A 35 4.941 3.266 7.288 1.00 0.00 O ATOM 177 CB ALA A 35 1.993 2.097 6.564 1.00 0.00 C ATOM 0 H ALA A 35 3.479 2.700 9.016 1.00 0.00 H new ATOM 0 HA ALA A 35 3.314 0.509 7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.086 1.930 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.117 1.569 6.939 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.883 3.164 6.757 1.00 0.00 H new ATOM 183 N ARG A 36 5.040 1.719 5.658 1.00 0.00 N ATOM 184 CA ARG A 36 6.236 2.272 5.047 1.00 0.00 C ATOM 185 C ARG A 36 6.295 1.897 3.575 1.00 0.00 C ATOM 186 O ARG A 36 5.548 1.038 3.110 1.00 0.00 O ATOM 187 CB ARG A 36 7.492 1.768 5.771 1.00 0.00 C ATOM 188 CG ARG A 36 7.722 0.270 5.654 1.00 0.00 C ATOM 189 CD ARG A 36 9.014 -0.036 4.911 1.00 0.00 C ATOM 190 NE ARG A 36 10.165 0.621 5.529 1.00 0.00 N ATOM 191 CZ ARG A 36 11.267 0.960 4.872 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.402 0.645 3.594 1.00 0.00 N ATOM 193 NH2 ARG A 36 12.248 1.594 5.490 1.00 0.00 N ATOM 0 H ARG A 36 4.678 0.887 5.193 1.00 0.00 H new ATOM 0 HA ARG A 36 6.198 3.358 5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.362 2.290 5.371 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.419 2.031 6.826 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.759 -0.173 6.649 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.883 -0.189 5.132 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.177 -1.114 4.894 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.923 0.289 3.875 1.00 0.00 H new ATOM 0 HE ARG A 36 10.118 0.832 6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.658 0.141 3.112 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.250 0.907 3.091 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.162 1.826 6.479 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.092 1.851 4.978 1.00 0.00 H new ATOM 206 N LEU A 37 7.173 2.557 2.849 1.00 0.00 N ATOM 207 CA LEU A 37 7.389 2.254 1.448 1.00 0.00 C ATOM 208 C LEU A 37 8.758 1.620 1.277 1.00 0.00 C ATOM 209 O LEU A 37 9.722 2.037 1.921 1.00 0.00 O ATOM 210 CB LEU A 37 7.269 3.534 0.622 1.00 0.00 C ATOM 211 CG LEU A 37 5.877 4.167 0.633 1.00 0.00 C ATOM 212 CD1 LEU A 37 5.937 5.604 0.151 1.00 0.00 C ATOM 213 CD2 LEU A 37 4.926 3.359 -0.233 1.00 0.00 C ATOM 0 H LEU A 37 7.754 3.314 3.209 1.00 0.00 H new ATOM 0 HA LEU A 37 6.634 1.550 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.988 4.262 0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.546 3.314 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 37 5.506 4.165 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.936 6.035 0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.591 6.180 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.327 5.631 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.938 3.820 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.298 3.335 -1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.858 2.342 0.153 1.00 0.00 H new ATOM 225 N THR A 38 8.831 0.591 0.444 1.00 0.00 N ATOM 226 CA THR A 38 10.084 -0.114 0.209 1.00 0.00 C ATOM 227 C THR A 38 11.073 0.790 -0.520 1.00 0.00 C ATOM 228 O THR A 38 10.682 1.833 -1.046 1.00 0.00 O ATOM 229 CB THR A 38 9.853 -1.408 -0.598 1.00 0.00 C ATOM 230 OG1 THR A 38 9.260 -1.101 -1.867 1.00 0.00 O ATOM 231 CG2 THR A 38 8.956 -2.372 0.169 1.00 0.00 C ATOM 0 H THR A 38 8.037 0.225 -0.081 1.00 0.00 H new ATOM 0 HA THR A 38 10.501 -0.388 1.178 1.00 0.00 H new ATOM 0 HB THR A 38 10.820 -1.885 -0.759 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.661 -1.665 -2.561 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.807 -3.277 -0.420 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.426 -2.630 1.118 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.992 -1.900 0.358 1.00 0.00 H new ATOM 239 N ARG A 39 12.344 0.393 -0.547 1.00 0.00 N ATOM 240 CA ARG A 39 13.399 1.240 -1.105 1.00 0.00 C ATOM 241 C ARG A 39 13.110 1.574 -2.569 1.00 0.00 C ATOM 242 O ARG A 39 12.739 2.704 -2.880 1.00 0.00 O ATOM 243 CB ARG A 39 14.775 0.570 -0.972 1.00 0.00 C ATOM 244 CG ARG A 39 15.120 0.139 0.447 1.00 0.00 C ATOM 245 CD ARG A 39 16.516 -0.460 0.523 1.00 0.00 C ATOM 246 NE ARG A 39 16.755 -1.127 1.803 1.00 0.00 N ATOM 247 CZ ARG A 39 17.960 -1.357 2.315 1.00 0.00 C ATOM 248 NH1 ARG A 39 19.051 -0.962 1.673 1.00 0.00 N ATOM 249 NH2 ARG A 39 18.080 -1.996 3.469 1.00 0.00 N ATOM 0 H ARG A 39 12.668 -0.506 -0.191 1.00 0.00 H new ATOM 0 HA ARG A 39 13.416 2.169 -0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 39 14.807 -0.303 -1.624 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.540 1.261 -1.327 1.00 0.00 H new ATOM 0 HG2 ARG A 39 15.054 0.998 1.115 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.390 -0.592 0.794 1.00 0.00 H new ATOM 0 HD2 ARG A 39 16.649 -1.175 -0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 39 17.257 0.327 0.380 1.00 0.00 H new ATOM 0 HE ARG A 39 15.943 -1.436 2.338 1.00 0.00 H new ATOM 0 HH11 ARG A 39 18.969 -0.478 0.779 1.00 0.00 H new ATOM 0 HH12 ARG A 39 19.972 -1.143 2.073 1.00 0.00 H new ATOM 0 HH21 ARG A 39 17.247 -2.312 3.966 1.00 0.00 H new ATOM 0 HH22 ARG A 39 19.005 -2.172 3.861 1.00 0.00 H new ATOM 262 N SER A 40 13.281 0.584 -3.452 1.00 0.00 N ATOM 263 CA SER A 40 12.962 0.727 -4.878 1.00 0.00 C ATOM 264 C SER A 40 13.887 1.745 -5.556 1.00 0.00 C ATOM 265 O SER A 40 14.804 1.375 -6.295 1.00 0.00 O ATOM 266 CB SER A 40 11.489 1.127 -5.053 1.00 0.00 C ATOM 267 OG SER A 40 11.087 1.076 -6.413 1.00 0.00 O ATOM 0 H SER A 40 13.643 -0.336 -3.200 1.00 0.00 H new ATOM 0 HA SER A 40 13.123 -0.236 -5.362 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.859 0.462 -4.463 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.338 2.135 -4.667 1.00 0.00 H new ATOM 0 HG SER A 40 11.244 1.947 -6.833 1.00 0.00 H new ATOM 273 N ASN A 41 13.647 3.020 -5.290 1.00 0.00 N ATOM 274 CA ASN A 41 14.451 4.101 -5.843 1.00 0.00 C ATOM 275 C ASN A 41 14.525 5.265 -4.862 1.00 0.00 C ATOM 276 O ASN A 41 15.534 5.964 -4.787 1.00 0.00 O ATOM 277 CB ASN A 41 13.890 4.578 -7.191 1.00 0.00 C ATOM 278 CG ASN A 41 12.417 4.952 -7.133 1.00 0.00 C ATOM 279 OD1 ASN A 41 11.547 4.110 -7.355 1.00 0.00 O ATOM 280 ND2 ASN A 41 12.122 6.213 -6.847 1.00 0.00 N ATOM 0 H ASN A 41 12.889 3.335 -4.684 1.00 0.00 H new ATOM 0 HA ASN A 41 15.457 3.717 -6.012 1.00 0.00 H new ATOM 0 HB2 ASN A 41 14.463 5.441 -7.530 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.029 3.792 -7.933 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.148 6.512 -6.805 1.00 0.00 H new ATOM 0 HD22 ASN A 41 12.869 6.884 -6.669 1.00 0.00 H new ATOM 287 N SER A 42 13.455 5.454 -4.104 1.00 0.00 N ATOM 288 CA SER A 42 13.376 6.523 -3.125 1.00 0.00 C ATOM 289 C SER A 42 12.567 6.041 -1.926 1.00 0.00 C ATOM 290 O SER A 42 11.620 5.275 -2.081 1.00 0.00 O ATOM 291 CB SER A 42 12.725 7.754 -3.755 1.00 0.00 C ATOM 292 OG SER A 42 13.456 8.193 -4.889 1.00 0.00 O ATOM 0 H SER A 42 12.620 4.871 -4.152 1.00 0.00 H new ATOM 0 HA SER A 42 14.377 6.797 -2.792 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.701 7.519 -4.047 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.671 8.557 -3.020 1.00 0.00 H new ATOM 0 HG SER A 42 13.019 8.980 -5.275 1.00 0.00 H new ATOM 298 N LYS A 43 12.939 6.509 -0.739 1.00 0.00 N ATOM 299 CA LYS A 43 12.404 5.972 0.512 1.00 0.00 C ATOM 300 C LYS A 43 10.909 6.240 0.653 1.00 0.00 C ATOM 301 O LYS A 43 10.229 5.577 1.437 1.00 0.00 O ATOM 302 CB LYS A 43 13.150 6.553 1.723 1.00 0.00 C ATOM 303 CG LYS A 43 14.662 6.348 1.702 1.00 0.00 C ATOM 304 CD LYS A 43 15.370 7.410 0.871 1.00 0.00 C ATOM 305 CE LYS A 43 15.203 8.794 1.478 1.00 0.00 C ATOM 306 NZ LYS A 43 15.785 9.853 0.614 1.00 0.00 N ATOM 0 H LYS A 43 13.613 7.264 -0.615 1.00 0.00 H new ATOM 0 HA LYS A 43 12.555 4.893 0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.943 7.622 1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.749 6.101 2.630 1.00 0.00 H new ATOM 0 HG2 LYS A 43 15.045 6.371 2.722 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.889 5.361 1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.431 7.169 0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.971 7.406 -0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.143 8.996 1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.681 8.821 2.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.606 10.785 1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.811 9.704 0.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.347 9.812 -0.328 1.00 0.00 H new ATOM 319 N CYS A 44 10.405 7.221 -0.089 1.00 0.00 N ATOM 320 CA CYS A 44 8.974 7.503 -0.117 1.00 0.00 C ATOM 321 C CYS A 44 8.399 7.296 -1.512 1.00 0.00 C ATOM 322 O CYS A 44 7.372 7.877 -1.865 1.00 0.00 O ATOM 323 CB CYS A 44 8.692 8.927 0.352 1.00 0.00 C ATOM 324 SG CYS A 44 9.040 9.215 2.113 1.00 0.00 S ATOM 0 H CYS A 44 10.967 7.834 -0.679 1.00 0.00 H new ATOM 0 HA CYS A 44 8.490 6.804 0.565 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.289 9.618 -0.243 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.645 9.161 0.157 1.00 0.00 H new ATOM 329 N GLN A 45 9.064 6.471 -2.304 1.00 0.00 N ATOM 330 CA GLN A 45 8.594 6.156 -3.645 1.00 0.00 C ATOM 331 C GLN A 45 8.840 4.686 -3.935 1.00 0.00 C ATOM 332 O GLN A 45 9.801 4.325 -4.614 1.00 0.00 O ATOM 333 CB GLN A 45 9.303 7.014 -4.702 1.00 0.00 C ATOM 334 CG GLN A 45 9.245 8.516 -4.451 1.00 0.00 C ATOM 335 CD GLN A 45 9.941 9.309 -5.541 1.00 0.00 C ATOM 336 OE1 GLN A 45 9.988 8.886 -6.699 1.00 0.00 O ATOM 337 NE2 GLN A 45 10.487 10.461 -5.184 1.00 0.00 N ATOM 0 H GLN A 45 9.933 6.006 -2.042 1.00 0.00 H new ATOM 0 HA GLN A 45 7.527 6.373 -3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.348 6.709 -4.756 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.860 6.805 -5.676 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.204 8.831 -4.384 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.708 8.740 -3.490 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.426 10.776 -4.216 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.968 11.034 -5.877 1.00 0.00 H new ATOM 346 N GLY A 46 7.972 3.840 -3.410 1.00 0.00 N ATOM 347 CA GLY A 46 8.156 2.416 -3.558 1.00 0.00 C ATOM 348 C GLY A 46 6.876 1.646 -3.329 1.00 0.00 C ATOM 349 O GLY A 46 5.782 2.172 -3.545 1.00 0.00 O ATOM 0 H GLY A 46 7.143 4.114 -2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.532 2.202 -4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.914 2.075 -2.853 1.00 0.00 H new ATOM 353 N GLN A 47 7.009 0.403 -2.888 1.00 0.00 N ATOM 354 CA GLN A 47 5.856 -0.452 -2.659 1.00 0.00 C ATOM 355 C GLN A 47 5.299 -0.219 -1.264 1.00 0.00 C ATOM 356 O GLN A 47 6.055 0.016 -0.321 1.00 0.00 O ATOM 357 CB GLN A 47 6.222 -1.932 -2.834 1.00 0.00 C ATOM 358 CG GLN A 47 6.562 -2.333 -4.265 1.00 0.00 C ATOM 359 CD GLN A 47 7.979 -1.978 -4.677 1.00 0.00 C ATOM 360 OE1 GLN A 47 8.903 -2.763 -4.484 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.158 -0.805 -5.267 1.00 0.00 N ATOM 0 H GLN A 47 7.907 -0.035 -2.682 1.00 0.00 H new ATOM 0 HA GLN A 47 5.096 -0.197 -3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.074 -2.161 -2.194 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.389 -2.543 -2.487 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.419 -3.408 -4.376 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.863 -1.847 -4.945 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.365 -0.180 -5.410 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.089 -0.528 -5.578 1.00 0.00 H new ATOM 370 N LEU A 48 3.979 -0.279 -1.142 1.00 0.00 N ATOM 371 CA LEU A 48 3.319 -0.051 0.133 1.00 0.00 C ATOM 372 C LEU A 48 3.416 -1.289 1.009 1.00 0.00 C ATOM 373 O LEU A 48 2.799 -2.320 0.727 1.00 0.00 O ATOM 374 CB LEU A 48 1.850 0.339 -0.079 1.00 0.00 C ATOM 375 CG LEU A 48 1.068 0.674 1.196 1.00 0.00 C ATOM 376 CD1 LEU A 48 1.644 1.907 1.882 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.401 0.884 0.875 1.00 0.00 C ATOM 0 H LEU A 48 3.345 -0.484 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 48 3.824 0.773 0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.813 1.201 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.344 -0.480 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 48 1.160 -0.168 1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.071 2.123 2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.685 1.722 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.589 2.759 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.943 1.121 1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.505 1.707 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.811 -0.025 0.436 1.00 0.00 H new ATOM 389 N GLU A 49 4.207 -1.177 2.060 1.00 0.00 N ATOM 390 CA GLU A 49 4.377 -2.256 3.014 1.00 0.00 C ATOM 391 C GLU A 49 3.744 -1.841 4.334 1.00 0.00 C ATOM 392 O GLU A 49 4.062 -0.782 4.882 1.00 0.00 O ATOM 393 CB GLU A 49 5.867 -2.573 3.200 1.00 0.00 C ATOM 394 CG GLU A 49 6.142 -3.860 3.960 1.00 0.00 C ATOM 395 CD GLU A 49 7.623 -4.080 4.200 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.187 -3.433 5.113 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.234 -4.886 3.469 1.00 0.00 O ATOM 0 H GLU A 49 4.747 -0.339 2.275 1.00 0.00 H new ATOM 0 HA GLU A 49 3.889 -3.159 2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.338 -2.636 2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.340 -1.745 3.728 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.621 -3.833 4.917 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.737 -4.703 3.401 1.00 0.00 H new ATOM 404 N VAL A 50 2.827 -2.656 4.825 1.00 0.00 N ATOM 405 CA VAL A 50 2.079 -2.317 6.024 1.00 0.00 C ATOM 406 C VAL A 50 2.312 -3.345 7.121 1.00 0.00 C ATOM 407 O VAL A 50 2.623 -4.505 6.848 1.00 0.00 O ATOM 408 CB VAL A 50 0.564 -2.191 5.743 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.278 -0.983 4.863 1.00 0.00 C ATOM 410 CG2 VAL A 50 0.023 -3.453 5.096 1.00 0.00 C ATOM 0 H VAL A 50 2.582 -3.556 4.413 1.00 0.00 H new ATOM 0 HA VAL A 50 2.445 -1.347 6.359 1.00 0.00 H new ATOM 0 HB VAL A 50 0.058 -2.053 6.699 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.794 -0.913 4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.619 -0.078 5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.804 -1.091 3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.045 -3.337 4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.540 -3.628 4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.185 -4.301 5.761 1.00 0.00 H new ATOM 420 N TYR A 51 2.176 -2.904 8.363 1.00 0.00 N ATOM 421 CA TYR A 51 2.408 -3.762 9.514 1.00 0.00 C ATOM 422 C TYR A 51 1.087 -4.163 10.155 1.00 0.00 C ATOM 423 O TYR A 51 0.358 -3.318 10.679 1.00 0.00 O ATOM 424 CB TYR A 51 3.289 -3.034 10.537 1.00 0.00 C ATOM 425 CG TYR A 51 3.698 -3.881 11.728 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.850 -4.653 11.689 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.940 -3.894 12.895 1.00 0.00 C ATOM 428 CE1 TYR A 51 5.237 -5.415 12.773 1.00 0.00 C ATOM 429 CE2 TYR A 51 3.326 -4.653 13.987 1.00 0.00 C ATOM 430 CZ TYR A 51 4.474 -5.411 13.918 1.00 0.00 C ATOM 431 OH TYR A 51 4.874 -6.159 15.002 1.00 0.00 O ATOM 0 H TYR A 51 1.904 -1.950 8.600 1.00 0.00 H new ATOM 0 HA TYR A 51 2.919 -4.665 9.180 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.188 -2.677 10.035 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.755 -2.155 10.898 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.455 -4.658 10.794 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.037 -3.303 12.950 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.135 -6.012 12.723 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.730 -4.651 14.888 1.00 0.00 H new ATOM 0 HH TYR A 51 4.229 -6.049 15.732 1.00 0.00 H new ATOM 441 N LEU A 52 0.780 -5.449 10.095 1.00 0.00 N ATOM 442 CA LEU A 52 -0.399 -5.990 10.759 1.00 0.00 C ATOM 443 C LEU A 52 0.043 -6.943 11.866 1.00 0.00 C ATOM 444 O LEU A 52 1.220 -6.964 12.229 1.00 0.00 O ATOM 445 CB LEU A 52 -1.325 -6.713 9.762 1.00 0.00 C ATOM 446 CG LEU A 52 -2.096 -5.812 8.789 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.197 -5.298 7.680 1.00 0.00 C ATOM 448 CD2 LEU A 52 -3.285 -6.558 8.206 1.00 0.00 C ATOM 0 H LEU A 52 1.333 -6.142 9.591 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.967 -5.165 11.190 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.725 -7.413 9.181 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.045 -7.304 10.328 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.460 -4.950 9.348 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.775 -4.663 7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.380 -4.720 8.112 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.790 -6.141 7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.822 -5.905 7.518 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.934 -7.440 7.671 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.953 -6.864 9.011 1.00 0.00 H new ATOM 460 N LYS A 53 -0.888 -7.727 12.399 1.00 0.00 N ATOM 461 CA LYS A 53 -0.567 -8.700 13.444 1.00 0.00 C ATOM 462 C LYS A 53 0.512 -9.667 12.963 1.00 0.00 C ATOM 463 O LYS A 53 1.391 -10.071 13.728 1.00 0.00 O ATOM 464 CB LYS A 53 -1.814 -9.494 13.866 1.00 0.00 C ATOM 465 CG LYS A 53 -2.850 -8.695 14.651 1.00 0.00 C ATOM 466 CD LYS A 53 -3.555 -7.662 13.786 1.00 0.00 C ATOM 467 CE LYS A 53 -4.611 -6.899 14.569 1.00 0.00 C ATOM 468 NZ LYS A 53 -4.043 -6.248 15.779 1.00 0.00 N ATOM 0 H LYS A 53 -1.871 -7.710 12.127 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.197 -8.146 14.307 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.289 -9.898 12.972 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.498 -10.344 14.471 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.588 -9.377 15.074 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.363 -8.194 15.487 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.822 -6.962 13.386 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.021 -8.158 12.934 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.062 -6.142 13.927 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.408 -7.582 14.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.736 -5.579 16.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.821 -6.973 16.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.174 -5.737 15.523 1.00 0.00 H new ATOM 481 N ASP A 54 0.443 -10.010 11.686 1.00 0.00 N ATOM 482 CA ASP A 54 1.381 -10.939 11.070 1.00 0.00 C ATOM 483 C ASP A 54 2.648 -10.230 10.585 1.00 0.00 C ATOM 484 O ASP A 54 3.486 -10.831 9.914 1.00 0.00 O ATOM 485 CB ASP A 54 0.703 -11.676 9.907 1.00 0.00 C ATOM 486 CG ASP A 54 -0.023 -10.735 8.963 1.00 0.00 C ATOM 487 OD1 ASP A 54 -0.979 -10.066 9.412 1.00 0.00 O ATOM 488 OD2 ASP A 54 0.349 -10.678 7.774 1.00 0.00 O ATOM 0 H ASP A 54 -0.266 -9.652 11.046 1.00 0.00 H new ATOM 0 HA ASP A 54 1.681 -11.662 11.829 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.454 -12.236 9.350 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.005 -12.402 10.306 1.00 0.00 H new ATOM 493 N GLY A 55 2.788 -8.955 10.927 1.00 0.00 N ATOM 494 CA GLY A 55 4.018 -8.244 10.635 1.00 0.00 C ATOM 495 C GLY A 55 3.948 -7.418 9.370 1.00 0.00 C ATOM 496 O GLY A 55 2.868 -7.001 8.950 1.00 0.00 O ATOM 0 H GLY A 55 2.074 -8.402 11.400 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.259 -7.591 11.474 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.832 -8.963 10.546 1.00 0.00 H new ATOM 500 N TRP A 56 5.110 -7.182 8.770 1.00 0.00 N ATOM 501 CA TRP A 56 5.208 -6.372 7.562 1.00 0.00 C ATOM 502 C TRP A 56 4.872 -7.191 6.326 1.00 0.00 C ATOM 503 O TRP A 56 5.498 -8.218 6.053 1.00 0.00 O ATOM 504 CB TRP A 56 6.613 -5.777 7.416 1.00 0.00 C ATOM 505 CG TRP A 56 6.935 -4.722 8.430 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.699 -4.869 9.549 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.505 -3.357 8.413 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.767 -3.681 10.234 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.043 -2.735 9.555 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.716 -2.599 7.543 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.817 -1.392 9.848 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.494 -1.270 7.835 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.041 -0.676 8.978 1.00 0.00 C ATOM 0 H TRP A 56 6.003 -7.544 9.104 1.00 0.00 H new ATOM 0 HA TRP A 56 4.486 -5.561 7.653 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.347 -6.579 7.496 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.714 -5.351 6.418 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.181 -5.787 9.853 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.274 -3.527 11.106 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.288 -3.046 6.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.239 -0.933 10.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.886 -0.676 7.169 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.847 0.368 9.177 1.00 0.00 H new ATOM 524 N HIS A 57 3.874 -6.737 5.590 1.00 0.00 N ATOM 525 CA HIS A 57 3.485 -7.375 4.342 1.00 0.00 C ATOM 526 C HIS A 57 3.136 -6.325 3.296 1.00 0.00 C ATOM 527 O HIS A 57 2.689 -5.225 3.628 1.00 0.00 O ATOM 528 CB HIS A 57 2.302 -8.326 4.556 1.00 0.00 C ATOM 529 CG HIS A 57 2.705 -9.697 5.016 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.907 -10.752 4.148 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.953 -10.183 6.257 1.00 0.00 C ATOM 532 CE1 HIS A 57 3.260 -11.825 4.834 1.00 0.00 C ATOM 533 NE2 HIS A 57 3.297 -11.508 6.113 1.00 0.00 N ATOM 0 H HIS A 57 3.313 -5.922 5.836 1.00 0.00 H new ATOM 0 HA HIS A 57 4.331 -7.961 3.984 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.625 -7.890 5.291 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.745 -8.415 3.623 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.800 -10.710 3.134 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.892 -9.634 7.185 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.481 -12.797 4.417 1.00 0.00 H new ATOM 541 N MET A 58 3.356 -6.669 2.035 1.00 0.00 N ATOM 542 CA MET A 58 3.097 -5.760 0.925 1.00 0.00 C ATOM 543 C MET A 58 1.615 -5.772 0.572 1.00 0.00 C ATOM 544 O MET A 58 0.931 -6.759 0.816 1.00 0.00 O ATOM 545 CB MET A 58 3.908 -6.183 -0.303 1.00 0.00 C ATOM 546 CG MET A 58 5.416 -6.099 -0.122 1.00 0.00 C ATOM 547 SD MET A 58 6.308 -6.920 -1.459 1.00 0.00 S ATOM 548 CE MET A 58 5.562 -6.143 -2.891 1.00 0.00 C ATOM 0 H MET A 58 3.717 -7.580 1.752 1.00 0.00 H new ATOM 0 HA MET A 58 3.391 -4.755 1.227 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.642 -7.208 -0.563 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.620 -5.555 -1.147 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.717 -5.052 -0.075 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.692 -6.553 0.830 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.104 -6.439 -3.789 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.522 -6.457 -2.975 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.606 -5.059 -2.781 1.00 0.00 H new ATOM 558 N VAL A 59 1.122 -4.687 -0.002 1.00 0.00 N ATOM 559 CA VAL A 59 -0.275 -4.622 -0.415 1.00 0.00 C ATOM 560 C VAL A 59 -0.396 -4.836 -1.923 1.00 0.00 C ATOM 561 O VAL A 59 0.300 -4.194 -2.710 1.00 0.00 O ATOM 562 CB VAL A 59 -0.922 -3.268 -0.035 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.391 -3.237 -0.431 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.768 -2.995 1.454 1.00 0.00 C ATOM 0 H VAL A 59 1.662 -3.843 -0.193 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.805 -5.415 0.112 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.403 -2.483 -0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.822 -2.275 -0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.480 -3.377 -1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.924 -4.036 0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.230 -2.038 1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.254 -3.788 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.291 -2.962 1.710 1.00 0.00 H new ATOM 574 N CYS A 60 -1.272 -5.753 -2.317 1.00 0.00 N ATOM 575 CA CYS A 60 -1.495 -6.035 -3.730 1.00 0.00 C ATOM 576 C CYS A 60 -2.505 -5.036 -4.301 1.00 0.00 C ATOM 577 O CYS A 60 -3.471 -4.673 -3.632 1.00 0.00 O ATOM 578 CB CYS A 60 -1.997 -7.473 -3.916 1.00 0.00 C ATOM 579 SG CYS A 60 -1.724 -8.143 -5.590 1.00 0.00 S ATOM 0 H CYS A 60 -1.838 -6.313 -1.680 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.552 -5.932 -4.267 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.498 -8.118 -3.192 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.063 -7.507 -3.692 1.00 0.00 H new ATOM 584 N SER A 61 -2.277 -4.607 -5.539 1.00 0.00 N ATOM 585 CA SER A 61 -3.056 -3.532 -6.157 1.00 0.00 C ATOM 586 C SER A 61 -4.516 -3.921 -6.430 1.00 0.00 C ATOM 587 O SER A 61 -5.329 -3.058 -6.756 1.00 0.00 O ATOM 588 CB SER A 61 -2.374 -3.091 -7.459 1.00 0.00 C ATOM 589 OG SER A 61 -3.104 -2.068 -8.112 1.00 0.00 O ATOM 0 H SER A 61 -1.550 -4.992 -6.143 1.00 0.00 H new ATOM 0 HA SER A 61 -3.086 -2.707 -5.445 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.367 -2.736 -7.240 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.273 -3.948 -8.125 1.00 0.00 H new ATOM 0 HG SER A 61 -4.023 -2.054 -7.772 1.00 0.00 H new ATOM 595 N GLN A 62 -4.862 -5.202 -6.302 1.00 0.00 N ATOM 596 CA GLN A 62 -6.244 -5.626 -6.545 1.00 0.00 C ATOM 597 C GLN A 62 -7.074 -5.571 -5.261 1.00 0.00 C ATOM 598 O GLN A 62 -8.216 -6.033 -5.226 1.00 0.00 O ATOM 599 CB GLN A 62 -6.307 -7.039 -7.135 1.00 0.00 C ATOM 600 CG GLN A 62 -5.875 -8.125 -6.168 1.00 0.00 C ATOM 601 CD GLN A 62 -6.747 -9.363 -6.263 1.00 0.00 C ATOM 602 OE1 GLN A 62 -7.762 -9.473 -5.574 1.00 0.00 O ATOM 603 NE2 GLN A 62 -6.363 -10.302 -7.113 1.00 0.00 N ATOM 0 H GLN A 62 -4.222 -5.951 -6.038 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.664 -4.928 -7.270 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.327 -7.241 -7.462 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.674 -7.081 -8.021 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.839 -8.397 -6.370 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.910 -7.736 -5.150 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.516 -10.174 -7.666 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.914 -11.154 -7.215 1.00 0.00 H new ATOM 612 N SER A 63 -6.497 -5.010 -4.207 1.00 0.00 N ATOM 613 CA SER A 63 -7.178 -4.923 -2.923 1.00 0.00 C ATOM 614 C SER A 63 -8.328 -3.922 -2.983 1.00 0.00 C ATOM 615 O SER A 63 -8.334 -3.024 -3.826 1.00 0.00 O ATOM 616 CB SER A 63 -6.187 -4.512 -1.829 1.00 0.00 C ATOM 617 OG SER A 63 -5.149 -5.470 -1.691 1.00 0.00 O ATOM 0 H SER A 63 -5.559 -4.609 -4.216 1.00 0.00 H new ATOM 0 HA SER A 63 -7.588 -5.905 -2.688 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.758 -3.539 -2.070 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.713 -4.402 -0.881 1.00 0.00 H new ATOM 0 HG SER A 63 -4.366 -5.180 -2.204 1.00 0.00 H new ATOM 623 N TRP A 64 -9.303 -4.106 -2.094 1.00 0.00 N ATOM 624 CA TRP A 64 -10.434 -3.182 -1.941 1.00 0.00 C ATOM 625 C TRP A 64 -11.249 -3.057 -3.224 1.00 0.00 C ATOM 626 O TRP A 64 -11.878 -2.026 -3.469 1.00 0.00 O ATOM 627 CB TRP A 64 -9.934 -1.800 -1.508 1.00 0.00 C ATOM 628 CG TRP A 64 -9.088 -1.837 -0.276 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.483 -2.187 0.982 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.699 -1.508 -0.183 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.426 -2.092 1.848 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.320 -1.680 1.156 1.00 0.00 C ATOM 633 CE3 TRP A 64 -6.737 -1.088 -1.108 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.025 -1.444 1.598 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.450 -0.853 -0.666 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.105 -1.034 0.675 1.00 0.00 C ATOM 0 H TRP A 64 -9.334 -4.901 -1.456 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.087 -3.594 -1.171 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.359 -1.358 -2.322 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.791 -1.150 -1.333 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.482 -2.494 1.255 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.458 -2.295 2.847 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -6.996 -0.950 -2.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.755 -1.580 2.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.698 -0.524 -1.368 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.089 -0.846 0.989 1.00 0.00 H new ATOM 647 N GLY A 65 -11.241 -4.111 -4.032 1.00 0.00 N ATOM 648 CA GLY A 65 -11.974 -4.099 -5.284 1.00 0.00 C ATOM 649 C GLY A 65 -11.478 -3.029 -6.237 1.00 0.00 C ATOM 650 O GLY A 65 -12.262 -2.446 -6.986 1.00 0.00 O ATOM 0 H GLY A 65 -10.738 -4.977 -3.841 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.887 -5.075 -5.762 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.032 -3.937 -5.080 1.00 0.00 H new ATOM 654 N ARG A 66 -10.180 -2.760 -6.210 1.00 0.00 N ATOM 655 CA ARG A 66 -9.600 -1.749 -7.080 1.00 0.00 C ATOM 656 C ARG A 66 -8.877 -2.403 -8.253 1.00 0.00 C ATOM 657 O ARG A 66 -8.507 -3.580 -8.195 1.00 0.00 O ATOM 658 CB ARG A 66 -8.624 -0.854 -6.305 1.00 0.00 C ATOM 659 CG ARG A 66 -9.220 -0.174 -5.077 1.00 0.00 C ATOM 660 CD ARG A 66 -10.476 0.614 -5.412 1.00 0.00 C ATOM 661 NE ARG A 66 -10.810 1.583 -4.364 1.00 0.00 N ATOM 662 CZ ARG A 66 -11.931 1.546 -3.646 1.00 0.00 C ATOM 663 NH1 ARG A 66 -12.784 0.546 -3.796 1.00 0.00 N ATOM 664 NH2 ARG A 66 -12.199 2.504 -2.770 1.00 0.00 N ATOM 0 H ARG A 66 -9.511 -3.226 -5.597 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.413 -1.131 -7.462 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.771 -1.456 -5.992 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.243 -0.087 -6.979 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.455 -0.927 -4.325 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.479 0.495 -4.638 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.335 1.137 -6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.310 -0.074 -5.549 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.143 2.331 -4.173 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.584 -0.199 -4.463 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.642 0.520 -3.245 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.545 3.276 -2.642 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.060 2.469 -2.224 1.00 0.00 H new ATOM 677 N SER A 67 -8.705 -1.644 -9.323 1.00 0.00 N ATOM 678 CA SER A 67 -7.974 -2.105 -10.487 1.00 0.00 C ATOM 679 C SER A 67 -6.560 -1.525 -10.494 1.00 0.00 C ATOM 680 O SER A 67 -6.307 -0.478 -9.898 1.00 0.00 O ATOM 681 CB SER A 67 -8.737 -1.711 -11.749 1.00 0.00 C ATOM 682 OG SER A 67 -9.352 -0.443 -11.590 1.00 0.00 O ATOM 0 H SER A 67 -9.068 -0.694 -9.407 1.00 0.00 H new ATOM 0 HA SER A 67 -7.884 -3.191 -10.455 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.055 -1.685 -12.599 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.495 -2.463 -11.971 1.00 0.00 H new ATOM 0 HG SER A 67 -9.834 -0.208 -12.410 1.00 0.00 H new ATOM 688 N SER A 68 -5.647 -2.204 -11.173 1.00 0.00 N ATOM 689 CA SER A 68 -4.240 -1.828 -11.155 1.00 0.00 C ATOM 690 C SER A 68 -3.950 -0.663 -12.100 1.00 0.00 C ATOM 691 O SER A 68 -3.405 -0.852 -13.188 1.00 0.00 O ATOM 692 CB SER A 68 -3.383 -3.032 -11.534 1.00 0.00 C ATOM 693 OG SER A 68 -3.677 -4.150 -10.704 1.00 0.00 O ATOM 0 H SER A 68 -5.856 -3.022 -11.746 1.00 0.00 H new ATOM 0 HA SER A 68 -3.994 -1.501 -10.145 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.558 -3.293 -12.578 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.328 -2.775 -11.443 1.00 0.00 H new ATOM 0 HG SER A 68 -3.196 -4.938 -11.034 1.00 0.00 H new ATOM 699 N LYS A 69 -4.319 0.537 -11.674 1.00 0.00 N ATOM 700 CA LYS A 69 -4.019 1.752 -12.413 1.00 0.00 C ATOM 701 C LYS A 69 -3.971 2.939 -11.458 1.00 0.00 C ATOM 702 O LYS A 69 -4.327 2.804 -10.285 1.00 0.00 O ATOM 703 CB LYS A 69 -5.040 1.979 -13.549 1.00 0.00 C ATOM 704 CG LYS A 69 -6.503 1.739 -13.175 1.00 0.00 C ATOM 705 CD LYS A 69 -7.035 2.789 -12.213 1.00 0.00 C ATOM 706 CE LYS A 69 -8.529 2.623 -11.985 1.00 0.00 C ATOM 707 NZ LYS A 69 -9.044 3.562 -10.956 1.00 0.00 N ATOM 0 H LYS A 69 -4.834 0.694 -10.808 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.040 1.647 -12.881 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.938 3.004 -13.907 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.783 1.324 -14.381 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.111 1.738 -14.080 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.602 0.752 -12.723 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.509 2.713 -11.261 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.834 3.784 -12.610 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.059 2.787 -12.923 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.737 1.598 -11.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.911 4.018 -11.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.255 3.038 -10.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.326 4.288 -10.759 1.00 0.00 H new ATOM 720 N GLN A 70 -3.505 4.083 -11.948 1.00 0.00 N ATOM 721 CA GLN A 70 -3.434 5.292 -11.136 1.00 0.00 C ATOM 722 C GLN A 70 -4.823 5.683 -10.627 1.00 0.00 C ATOM 723 O GLN A 70 -5.732 5.964 -11.416 1.00 0.00 O ATOM 724 CB GLN A 70 -2.814 6.446 -11.940 1.00 0.00 C ATOM 725 CG GLN A 70 -2.902 7.804 -11.250 1.00 0.00 C ATOM 726 CD GLN A 70 -2.163 7.859 -9.921 1.00 0.00 C ATOM 727 OE1 GLN A 70 -1.145 7.198 -9.728 1.00 0.00 O ATOM 728 NE2 GLN A 70 -2.685 8.646 -8.990 1.00 0.00 N ATOM 0 H GLN A 70 -3.171 4.198 -12.905 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.797 5.088 -10.275 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.766 6.217 -12.135 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.312 6.509 -12.908 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.496 8.567 -11.914 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -3.951 8.051 -11.084 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -3.532 9.179 -9.189 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -2.240 8.718 -8.075 1.00 0.00 H new ATOM 737 N TRP A 71 -4.977 5.689 -9.311 1.00 0.00 N ATOM 738 CA TRP A 71 -6.234 6.064 -8.681 1.00 0.00 C ATOM 739 C TRP A 71 -6.364 7.587 -8.664 1.00 0.00 C ATOM 740 O TRP A 71 -5.393 8.297 -8.407 1.00 0.00 O ATOM 741 CB TRP A 71 -6.295 5.488 -7.258 1.00 0.00 C ATOM 742 CG TRP A 71 -7.616 5.673 -6.579 1.00 0.00 C ATOM 743 CD1 TRP A 71 -7.904 6.565 -5.593 1.00 0.00 C ATOM 744 CD2 TRP A 71 -8.828 4.948 -6.831 1.00 0.00 C ATOM 745 NE1 TRP A 71 -9.218 6.449 -5.215 1.00 0.00 N ATOM 746 CE2 TRP A 71 -9.807 5.463 -5.961 1.00 0.00 C ATOM 747 CE3 TRP A 71 -9.181 3.920 -7.709 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -11.114 4.982 -5.943 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -10.478 3.445 -7.688 1.00 0.00 C ATOM 750 CH2 TRP A 71 -11.430 3.977 -6.812 1.00 0.00 C ATOM 0 H TRP A 71 -4.239 5.436 -8.654 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.068 5.654 -9.250 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.066 4.423 -7.299 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -5.519 5.958 -6.654 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -7.199 7.264 -5.168 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -9.680 7.006 -4.496 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -8.454 3.505 -8.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.851 5.389 -5.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.762 2.649 -8.360 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.436 3.585 -6.823 1.00 0.00 H new ATOM 761 N GLU A 72 -7.565 8.084 -8.943 1.00 0.00 N ATOM 762 CA GLU A 72 -7.795 9.524 -9.098 1.00 0.00 C ATOM 763 C GLU A 72 -7.665 10.277 -7.773 1.00 0.00 C ATOM 764 O GLU A 72 -7.638 11.510 -7.757 1.00 0.00 O ATOM 765 CB GLU A 72 -9.183 9.789 -9.695 1.00 0.00 C ATOM 766 CG GLU A 72 -9.371 9.261 -11.109 1.00 0.00 C ATOM 767 CD GLU A 72 -8.340 9.796 -12.078 1.00 0.00 C ATOM 768 OE1 GLU A 72 -8.305 11.022 -12.307 1.00 0.00 O ATOM 769 OE2 GLU A 72 -7.558 8.992 -12.622 1.00 0.00 O ATOM 0 H GLU A 72 -8.400 7.511 -9.068 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.024 9.892 -9.775 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.935 9.337 -9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.366 10.864 -9.694 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.319 8.172 -11.095 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.367 9.528 -11.462 1.00 0.00 H new ATOM 776 N ASP A 73 -7.571 9.545 -6.673 1.00 0.00 N ATOM 777 CA ASP A 73 -7.503 10.161 -5.351 1.00 0.00 C ATOM 778 C ASP A 73 -6.335 9.588 -4.548 1.00 0.00 C ATOM 779 O ASP A 73 -6.525 8.731 -3.681 1.00 0.00 O ATOM 780 CB ASP A 73 -8.817 9.921 -4.600 1.00 0.00 C ATOM 781 CG ASP A 73 -8.993 10.802 -3.375 1.00 0.00 C ATOM 782 OD1 ASP A 73 -7.989 11.181 -2.734 1.00 0.00 O ATOM 783 OD2 ASP A 73 -10.158 11.100 -3.034 1.00 0.00 O ATOM 0 H ASP A 73 -7.540 8.525 -6.667 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.346 11.232 -5.474 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.650 10.092 -5.281 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.864 8.876 -4.294 1.00 0.00 H new ATOM 788 N PRO A 74 -5.103 10.037 -4.834 1.00 0.00 N ATOM 789 CA PRO A 74 -3.918 9.605 -4.096 1.00 0.00 C ATOM 790 C PRO A 74 -3.845 10.266 -2.725 1.00 0.00 C ATOM 791 O PRO A 74 -3.162 9.784 -1.820 1.00 0.00 O ATOM 792 CB PRO A 74 -2.740 10.063 -4.972 1.00 0.00 C ATOM 793 CG PRO A 74 -3.347 10.586 -6.233 1.00 0.00 C ATOM 794 CD PRO A 74 -4.756 10.984 -5.897 1.00 0.00 C ATOM 0 HA PRO A 74 -3.921 8.530 -3.913 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.157 10.835 -4.470 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.062 9.235 -5.179 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.783 11.439 -6.610 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.335 9.825 -7.014 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.816 12.018 -5.556 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.420 10.892 -6.756 1.00 0.00 H new ATOM 802 N SER A 75 -4.584 11.358 -2.586 1.00 0.00 N ATOM 803 CA SER A 75 -4.613 12.148 -1.364 1.00 0.00 C ATOM 804 C SER A 75 -5.113 11.342 -0.166 1.00 0.00 C ATOM 805 O SER A 75 -4.849 11.700 0.983 1.00 0.00 O ATOM 806 CB SER A 75 -5.491 13.375 -1.591 1.00 0.00 C ATOM 807 OG SER A 75 -6.312 13.202 -2.741 1.00 0.00 O ATOM 0 H SER A 75 -5.185 11.723 -3.325 1.00 0.00 H new ATOM 0 HA SER A 75 -3.594 12.455 -1.128 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.116 13.548 -0.715 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.865 14.258 -1.715 1.00 0.00 H new ATOM 0 HG SER A 75 -7.014 12.547 -2.546 1.00 0.00 H new ATOM 813 N GLN A 76 -5.816 10.248 -0.436 1.00 0.00 N ATOM 814 CA GLN A 76 -6.293 9.358 0.616 1.00 0.00 C ATOM 815 C GLN A 76 -5.144 8.861 1.493 1.00 0.00 C ATOM 816 O GLN A 76 -5.329 8.601 2.681 1.00 0.00 O ATOM 817 CB GLN A 76 -7.029 8.162 0.001 1.00 0.00 C ATOM 818 CG GLN A 76 -8.371 8.521 -0.612 1.00 0.00 C ATOM 819 CD GLN A 76 -9.452 8.756 0.430 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.173 9.157 1.561 1.00 0.00 O ATOM 821 NE2 GLN A 76 -10.698 8.524 0.046 1.00 0.00 N ATOM 0 H GLN A 76 -6.069 9.955 -1.380 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.979 9.925 1.245 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.398 7.713 -0.766 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.182 7.406 0.771 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.259 9.418 -1.221 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.686 7.720 -1.281 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.887 8.192 -0.900 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.469 8.677 0.696 1.00 0.00 H new ATOM 830 N ALA A 77 -3.954 8.763 0.916 1.00 0.00 N ATOM 831 CA ALA A 77 -2.819 8.175 1.614 1.00 0.00 C ATOM 832 C ALA A 77 -1.846 9.236 2.134 1.00 0.00 C ATOM 833 O ALA A 77 -0.678 8.942 2.391 1.00 0.00 O ATOM 834 CB ALA A 77 -2.098 7.200 0.697 1.00 0.00 C ATOM 0 H ALA A 77 -3.750 9.082 -0.031 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.206 7.642 2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.250 6.763 1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.784 6.409 0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.742 7.728 -0.188 1.00 0.00 H new ATOM 840 N SER A 78 -2.333 10.461 2.307 1.00 0.00 N ATOM 841 CA SER A 78 -1.490 11.563 2.779 1.00 0.00 C ATOM 842 C SER A 78 -0.834 11.243 4.125 1.00 0.00 C ATOM 843 O SER A 78 0.340 11.557 4.342 1.00 0.00 O ATOM 844 CB SER A 78 -2.310 12.850 2.892 1.00 0.00 C ATOM 845 OG SER A 78 -2.811 13.247 1.626 1.00 0.00 O ATOM 0 H SER A 78 -3.304 10.719 2.129 1.00 0.00 H new ATOM 0 HA SER A 78 -0.696 11.702 2.045 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.139 12.698 3.583 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.690 13.645 3.307 1.00 0.00 H new ATOM 0 HG SER A 78 -3.578 12.686 1.387 1.00 0.00 H new ATOM 851 N LYS A 79 -1.584 10.605 5.021 1.00 0.00 N ATOM 852 CA LYS A 79 -1.073 10.293 6.351 1.00 0.00 C ATOM 853 C LYS A 79 0.105 9.321 6.280 1.00 0.00 C ATOM 854 O LYS A 79 1.017 9.385 7.104 1.00 0.00 O ATOM 855 CB LYS A 79 -2.185 9.724 7.238 1.00 0.00 C ATOM 856 CG LYS A 79 -1.725 9.365 8.644 1.00 0.00 C ATOM 857 CD LYS A 79 -2.888 8.942 9.525 1.00 0.00 C ATOM 858 CE LYS A 79 -2.412 8.440 10.879 1.00 0.00 C ATOM 859 NZ LYS A 79 -1.584 7.206 10.759 1.00 0.00 N ATOM 0 H LYS A 79 -2.541 10.296 4.851 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.715 11.222 6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.993 10.453 7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.597 8.834 6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.995 8.557 8.593 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.222 10.222 9.092 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.564 9.786 9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.457 8.158 9.025 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.831 9.220 11.371 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.274 8.237 11.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.465 6.775 11.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.057 6.531 10.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.651 7.450 10.370 1.00 0.00 H new ATOM 872 N VAL A 80 0.100 8.445 5.283 1.00 0.00 N ATOM 873 CA VAL A 80 1.179 7.476 5.124 1.00 0.00 C ATOM 874 C VAL A 80 2.493 8.194 4.830 1.00 0.00 C ATOM 875 O VAL A 80 3.495 7.970 5.510 1.00 0.00 O ATOM 876 CB VAL A 80 0.877 6.456 4.000 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.061 5.521 3.778 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.377 5.656 4.330 1.00 0.00 C ATOM 0 H VAL A 80 -0.633 8.385 4.577 1.00 0.00 H new ATOM 0 HA VAL A 80 1.264 6.926 6.061 1.00 0.00 H new ATOM 0 HB VAL A 80 0.705 7.010 3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.823 4.814 2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.937 6.104 3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.271 4.975 4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.575 4.943 3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.229 5.118 5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.225 6.334 4.431 1.00 0.00 H new ATOM 888 N CYS A 81 2.474 9.080 3.842 1.00 0.00 N ATOM 889 CA CYS A 81 3.661 9.849 3.490 1.00 0.00 C ATOM 890 C CYS A 81 4.074 10.756 4.646 1.00 0.00 C ATOM 891 O CYS A 81 5.262 10.963 4.890 1.00 0.00 O ATOM 892 CB CYS A 81 3.399 10.690 2.241 1.00 0.00 C ATOM 893 SG CYS A 81 2.640 9.762 0.870 1.00 0.00 S ATOM 0 H CYS A 81 1.653 9.283 3.272 1.00 0.00 H new ATOM 0 HA CYS A 81 4.472 9.150 3.284 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.748 11.523 2.506 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.341 11.118 1.899 1.00 0.00 H new ATOM 898 N GLN A 82 3.087 11.284 5.362 1.00 0.00 N ATOM 899 CA GLN A 82 3.342 12.155 6.504 1.00 0.00 C ATOM 900 C GLN A 82 4.109 11.410 7.593 1.00 0.00 C ATOM 901 O GLN A 82 5.084 11.924 8.144 1.00 0.00 O ATOM 902 CB GLN A 82 2.019 12.688 7.062 1.00 0.00 C ATOM 903 CG GLN A 82 2.178 13.651 8.231 1.00 0.00 C ATOM 904 CD GLN A 82 2.952 14.902 7.863 1.00 0.00 C ATOM 905 OE1 GLN A 82 2.376 15.884 7.400 1.00 0.00 O ATOM 906 NE2 GLN A 82 4.257 14.883 8.077 1.00 0.00 N ATOM 0 H GLN A 82 2.098 11.123 5.170 1.00 0.00 H new ATOM 0 HA GLN A 82 3.952 12.994 6.168 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.477 13.192 6.262 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.406 11.845 7.381 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.192 13.935 8.598 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.688 13.141 9.048 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.698 14.048 8.463 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.822 15.703 7.856 1.00 0.00 H new ATOM 915 N ARG A 83 3.676 10.193 7.892 1.00 0.00 N ATOM 916 CA ARG A 83 4.311 9.392 8.935 1.00 0.00 C ATOM 917 C ARG A 83 5.652 8.839 8.454 1.00 0.00 C ATOM 918 O ARG A 83 6.497 8.441 9.256 1.00 0.00 O ATOM 919 CB ARG A 83 3.380 8.255 9.377 1.00 0.00 C ATOM 920 CG ARG A 83 2.069 8.744 9.984 1.00 0.00 C ATOM 921 CD ARG A 83 2.259 9.312 11.384 1.00 0.00 C ATOM 922 NE ARG A 83 1.139 10.167 11.782 1.00 0.00 N ATOM 923 CZ ARG A 83 0.214 9.826 12.678 1.00 0.00 C ATOM 924 NH1 ARG A 83 0.227 8.624 13.235 1.00 0.00 N ATOM 925 NH2 ARG A 83 -0.746 10.682 12.995 1.00 0.00 N ATOM 0 H ARG A 83 2.889 9.737 7.429 1.00 0.00 H new ATOM 0 HA ARG A 83 4.501 10.035 9.794 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.160 7.622 8.518 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.899 7.633 10.106 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.635 9.509 9.340 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.358 7.919 10.022 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.363 8.494 12.097 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.185 9.886 11.421 1.00 0.00 H new ATOM 0 HE ARG A 83 1.062 11.085 11.344 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.949 7.951 12.979 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.485 8.372 13.920 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.776 11.601 12.553 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.455 10.422 13.681 1.00 0.00 H new ATOM 938 N LEU A 84 5.848 8.832 7.142 1.00 0.00 N ATOM 939 CA LEU A 84 7.108 8.387 6.563 1.00 0.00 C ATOM 940 C LEU A 84 8.044 9.578 6.331 1.00 0.00 C ATOM 941 O LEU A 84 9.106 9.443 5.721 1.00 0.00 O ATOM 942 CB LEU A 84 6.849 7.643 5.252 1.00 0.00 C ATOM 943 CG LEU A 84 8.010 6.792 4.742 1.00 0.00 C ATOM 944 CD1 LEU A 84 8.367 5.715 5.753 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.653 6.165 3.408 1.00 0.00 C ATOM 0 H LEU A 84 5.151 9.129 6.459 1.00 0.00 H new ATOM 0 HA LEU A 84 7.593 7.705 7.262 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.980 6.999 5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.591 8.373 4.485 1.00 0.00 H new ATOM 0 HG LEU A 84 8.878 7.437 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.196 5.119 5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.658 6.182 6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.503 5.071 5.919 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.489 5.561 3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.773 5.533 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.441 6.950 2.682 1.00 0.00 H new ATOM 957 N ASN A 85 7.621 10.745 6.828 1.00 0.00 N ATOM 958 CA ASN A 85 8.419 11.977 6.780 1.00 0.00 C ATOM 959 C ASN A 85 8.608 12.472 5.343 1.00 0.00 C ATOM 960 O ASN A 85 9.719 12.794 4.918 1.00 0.00 O ATOM 961 CB ASN A 85 9.779 11.774 7.463 1.00 0.00 C ATOM 962 CG ASN A 85 10.539 13.076 7.655 1.00 0.00 C ATOM 963 OD1 ASN A 85 9.943 14.141 7.836 1.00 0.00 O ATOM 964 ND2 ASN A 85 11.859 13.001 7.605 1.00 0.00 N ATOM 0 H ASN A 85 6.713 10.863 7.277 1.00 0.00 H new ATOM 0 HA ASN A 85 7.868 12.743 7.325 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.627 11.301 8.433 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.382 11.090 6.866 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.422 13.844 7.718 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.313 12.100 7.453 1.00 0.00 H new ATOM 971 N CYS A 86 7.514 12.537 4.598 1.00 0.00 N ATOM 972 CA CYS A 86 7.545 13.067 3.243 1.00 0.00 C ATOM 973 C CYS A 86 6.306 13.910 2.959 1.00 0.00 C ATOM 974 O CYS A 86 5.450 14.077 3.832 1.00 0.00 O ATOM 975 CB CYS A 86 7.690 11.933 2.227 1.00 0.00 C ATOM 976 SG CYS A 86 9.363 11.211 2.196 1.00 0.00 S ATOM 0 H CYS A 86 6.593 12.229 4.910 1.00 0.00 H new ATOM 0 HA CYS A 86 8.414 13.718 3.148 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.967 11.151 2.459 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.445 12.309 1.234 1.00 0.00 H new ATOM 981 N GLY A 87 6.221 14.454 1.753 1.00 0.00 N ATOM 982 CA GLY A 87 5.152 15.376 1.431 1.00 0.00 C ATOM 983 C GLY A 87 3.913 14.709 0.864 1.00 0.00 C ATOM 984 O GLY A 87 3.631 13.545 1.147 1.00 0.00 O ATOM 0 H GLY A 87 6.875 14.273 0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.877 15.926 2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.521 16.107 0.711 1.00 0.00 H new ATOM 988 N ASP A 88 3.182 15.469 0.061 1.00 0.00 N ATOM 989 CA ASP A 88 1.905 15.040 -0.513 1.00 0.00 C ATOM 990 C ASP A 88 2.095 13.852 -1.464 1.00 0.00 C ATOM 991 O ASP A 88 3.126 13.741 -2.135 1.00 0.00 O ATOM 992 CB ASP A 88 1.273 16.226 -1.259 1.00 0.00 C ATOM 993 CG ASP A 88 -0.160 15.995 -1.695 1.00 0.00 C ATOM 994 OD1 ASP A 88 -1.086 16.259 -0.897 1.00 0.00 O ATOM 995 OD2 ASP A 88 -0.375 15.583 -2.850 1.00 0.00 O ATOM 0 H ASP A 88 3.458 16.411 -0.216 1.00 0.00 H new ATOM 0 HA ASP A 88 1.246 14.713 0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.308 17.105 -0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.877 16.451 -2.138 1.00 0.00 H new ATOM 1000 N PRO A 89 1.112 12.938 -1.510 1.00 0.00 N ATOM 1001 CA PRO A 89 1.138 11.784 -2.405 1.00 0.00 C ATOM 1002 C PRO A 89 0.918 12.183 -3.864 1.00 0.00 C ATOM 1003 O PRO A 89 -0.185 12.561 -4.264 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.015 10.895 -1.920 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.538 11.524 -0.673 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.100 12.958 -0.687 1.00 0.00 C ATOM 0 HA PRO A 89 2.106 11.284 -2.378 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.796 10.826 -2.677 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.332 9.880 -1.727 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.625 11.453 -0.632 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.152 11.012 0.208 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.864 13.607 -1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.104 13.325 0.319 1.00 0.00 H new ATOM 1014 N LEU A 90 1.976 12.077 -4.653 1.00 0.00 N ATOM 1015 CA LEU A 90 1.945 12.457 -6.059 1.00 0.00 C ATOM 1016 C LEU A 90 1.135 11.438 -6.856 1.00 0.00 C ATOM 1017 O LEU A 90 0.268 11.797 -7.652 1.00 0.00 O ATOM 1018 CB LEU A 90 3.377 12.532 -6.607 1.00 0.00 C ATOM 1019 CG LEU A 90 3.629 13.560 -7.720 1.00 0.00 C ATOM 1020 CD1 LEU A 90 5.106 13.583 -8.087 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.794 13.260 -8.955 1.00 0.00 C ATOM 0 H LEU A 90 2.880 11.726 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 90 1.474 13.435 -6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.049 12.754 -5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.651 11.546 -6.984 1.00 0.00 H new ATOM 0 HG LEU A 90 3.333 14.539 -7.342 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.273 14.315 -8.877 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.695 13.854 -7.210 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.409 12.596 -8.437 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.998 14.007 -9.722 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.049 12.271 -9.335 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.736 13.287 -8.694 1.00 0.00 H new ATOM 1033 N SER A 91 1.413 10.163 -6.624 1.00 0.00 N ATOM 1034 CA SER A 91 0.787 9.096 -7.392 1.00 0.00 C ATOM 1035 C SER A 91 0.457 7.908 -6.495 1.00 0.00 C ATOM 1036 O SER A 91 1.043 7.744 -5.422 1.00 0.00 O ATOM 1037 CB SER A 91 1.710 8.658 -8.533 1.00 0.00 C ATOM 1038 OG SER A 91 2.087 9.768 -9.331 1.00 0.00 O ATOM 0 H SER A 91 2.068 9.842 -5.911 1.00 0.00 H new ATOM 0 HA SER A 91 -0.144 9.475 -7.815 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.600 8.180 -8.124 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.205 7.915 -9.151 1.00 0.00 H new ATOM 0 HG SER A 91 2.677 9.467 -10.053 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.475 7.084 -6.951 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.950 5.944 -6.180 1.00 0.00 C ATOM 1046 C LEU A 92 -1.500 4.899 -7.146 1.00 0.00 C ATOM 1047 O LEU A 92 -2.543 5.110 -7.773 1.00 0.00 O ATOM 1048 CB LEU A 92 -2.039 6.397 -5.189 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.261 5.502 -3.953 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -3.225 6.171 -2.982 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.787 4.124 -4.342 1.00 0.00 C ATOM 0 H LEU A 92 -0.922 7.186 -7.862 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.131 5.511 -5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.789 7.400 -4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.982 6.472 -5.730 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.295 5.367 -3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.372 5.528 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.812 7.127 -2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.182 6.338 -3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.931 3.523 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.738 4.231 -4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.068 3.632 -4.997 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.789 3.793 -7.288 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.213 2.751 -8.207 1.00 0.00 C ATOM 1065 C GLY A 93 -0.191 1.638 -8.305 1.00 0.00 C ATOM 1066 O GLY A 93 0.514 1.371 -7.338 1.00 0.00 O ATOM 0 H GLY A 93 0.076 3.595 -6.784 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.167 2.340 -7.876 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.377 3.182 -9.195 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.082 0.968 -9.460 1.00 0.00 N ATOM 1071 CA PRO A 94 0.888 -0.108 -9.651 1.00 0.00 C ATOM 1072 C PRO A 94 2.293 0.433 -9.912 1.00 0.00 C ATOM 1073 O PRO A 94 2.696 0.621 -11.061 1.00 0.00 O ATOM 1074 CB PRO A 94 0.345 -0.850 -10.875 1.00 0.00 C ATOM 1075 CG PRO A 94 -0.373 0.192 -11.664 1.00 0.00 C ATOM 1076 CD PRO A 94 -0.887 1.209 -10.675 1.00 0.00 C ATOM 0 HA PRO A 94 0.992 -0.743 -8.771 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.151 -1.300 -11.455 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.326 -1.657 -10.583 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.296 0.659 -12.387 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.195 -0.248 -12.229 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -0.756 2.226 -11.045 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -1.951 1.074 -10.481 1.00 0.00 H new ATOM 1084 N PHE A 95 3.032 0.683 -8.839 1.00 0.00 N ATOM 1085 CA PHE A 95 4.359 1.287 -8.949 1.00 0.00 C ATOM 1086 C PHE A 95 5.351 0.298 -9.539 1.00 0.00 C ATOM 1087 O PHE A 95 6.112 0.627 -10.447 1.00 0.00 O ATOM 1088 CB PHE A 95 4.850 1.750 -7.575 1.00 0.00 C ATOM 1089 CG PHE A 95 6.062 2.640 -7.626 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.920 4.008 -7.791 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.340 2.113 -7.506 1.00 0.00 C ATOM 1092 CE1 PHE A 95 7.026 4.833 -7.838 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.449 2.935 -7.552 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.291 4.297 -7.718 1.00 0.00 C ATOM 0 H PHE A 95 2.739 0.479 -7.884 1.00 0.00 H new ATOM 0 HA PHE A 95 4.284 2.149 -9.611 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.042 2.282 -7.072 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.081 0.874 -6.969 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.932 4.434 -7.884 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.469 1.049 -7.375 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.901 5.898 -7.969 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.439 2.513 -7.458 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.157 4.941 -7.754 1.00 0.00 H new ATOM 1104 N LEU A 96 5.324 -0.917 -9.025 1.00 0.00 N ATOM 1105 CA LEU A 96 6.265 -1.942 -9.445 1.00 0.00 C ATOM 1106 C LEU A 96 5.538 -3.270 -9.604 1.00 0.00 C ATOM 1107 O LEU A 96 4.411 -3.429 -9.136 1.00 0.00 O ATOM 1108 CB LEU A 96 7.396 -2.075 -8.415 1.00 0.00 C ATOM 1109 CG LEU A 96 8.605 -2.899 -8.869 1.00 0.00 C ATOM 1110 CD1 LEU A 96 9.355 -2.181 -9.980 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.534 -3.183 -7.701 1.00 0.00 C ATOM 0 H LEU A 96 4.659 -1.220 -8.314 1.00 0.00 H new ATOM 0 HA LEU A 96 6.700 -1.658 -10.403 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.739 -1.076 -8.146 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.989 -2.526 -7.510 1.00 0.00 H new ATOM 0 HG LEU A 96 8.240 -3.851 -9.256 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.210 -2.782 -10.289 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.690 -2.032 -10.831 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.703 -1.214 -9.618 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.385 -3.769 -8.047 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.889 -2.242 -7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.996 -3.742 -6.936 1.00 0.00 H new ATOM 1123 N LYS A 97 6.172 -4.213 -10.276 1.00 0.00 N ATOM 1124 CA LYS A 97 5.610 -5.541 -10.434 1.00 0.00 C ATOM 1125 C LYS A 97 6.555 -6.575 -9.838 1.00 0.00 C ATOM 1126 O LYS A 97 7.364 -7.180 -10.539 1.00 0.00 O ATOM 1127 CB LYS A 97 5.339 -5.832 -11.913 1.00 0.00 C ATOM 1128 CG LYS A 97 4.292 -4.917 -12.534 1.00 0.00 C ATOM 1129 CD LYS A 97 4.248 -5.056 -14.045 1.00 0.00 C ATOM 1130 CE LYS A 97 3.147 -4.196 -14.643 1.00 0.00 C ATOM 1131 NZ LYS A 97 3.169 -4.210 -16.129 1.00 0.00 N ATOM 0 H LYS A 97 7.080 -4.083 -10.723 1.00 0.00 H new ATOM 0 HA LYS A 97 4.660 -5.594 -9.902 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.271 -5.734 -12.470 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.012 -6.867 -12.017 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.312 -5.151 -12.119 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.511 -3.882 -12.270 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.210 -4.766 -14.468 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.084 -6.100 -14.312 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.179 -4.553 -14.292 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.256 -3.171 -14.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.401 -3.610 -16.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.083 -3.845 -16.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.038 -5.184 -16.469 1.00 0.00 H new ATOM 1144 N THR A 98 6.461 -6.753 -8.528 1.00 0.00 N ATOM 1145 CA THR A 98 7.343 -7.664 -7.818 1.00 0.00 C ATOM 1146 C THR A 98 6.872 -9.113 -7.966 1.00 0.00 C ATOM 1147 O THR A 98 7.664 -10.050 -7.877 1.00 0.00 O ATOM 1148 CB THR A 98 7.426 -7.293 -6.324 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.487 -5.865 -6.183 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.656 -7.909 -5.672 1.00 0.00 C ATOM 0 H THR A 98 5.781 -6.277 -7.936 1.00 0.00 H new ATOM 0 HA THR A 98 8.335 -7.573 -8.260 1.00 0.00 H new ATOM 0 HB THR A 98 6.536 -7.683 -5.830 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.538 -5.632 -5.232 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.688 -7.630 -4.619 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.609 -8.995 -5.759 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.554 -7.544 -6.171 1.00 0.00 H new ATOM 1158 N TYR A 99 5.568 -9.265 -8.217 1.00 0.00 N ATOM 1159 CA TYR A 99 4.938 -10.575 -8.436 1.00 0.00 C ATOM 1160 C TYR A 99 5.138 -11.524 -7.254 1.00 0.00 C ATOM 1161 O TYR A 99 5.127 -12.741 -7.430 1.00 0.00 O ATOM 1162 CB TYR A 99 5.476 -11.239 -9.710 1.00 0.00 C ATOM 1163 CG TYR A 99 5.129 -10.518 -10.998 1.00 0.00 C ATOM 1164 CD1 TYR A 99 3.823 -10.487 -11.476 1.00 0.00 C ATOM 1165 CD2 TYR A 99 6.116 -9.885 -11.747 1.00 0.00 C ATOM 1166 CE1 TYR A 99 3.512 -9.846 -12.660 1.00 0.00 C ATOM 1167 CE2 TYR A 99 5.811 -9.241 -12.931 1.00 0.00 C ATOM 1168 CZ TYR A 99 4.509 -9.225 -13.383 1.00 0.00 C ATOM 1169 OH TYR A 99 4.204 -8.588 -14.563 1.00 0.00 O ATOM 0 H TYR A 99 4.916 -8.482 -8.275 1.00 0.00 H new ATOM 0 HA TYR A 99 3.870 -10.384 -8.543 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.561 -11.314 -9.633 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.089 -12.256 -9.764 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.039 -10.972 -10.913 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.138 -9.897 -11.397 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.493 -9.831 -13.018 1.00 0.00 H new ATOM 0 HE2 TYR A 99 6.589 -8.753 -13.499 1.00 0.00 H new ATOM 0 HH TYR A 99 5.019 -8.202 -14.946 1.00 0.00 H new ATOM 1179 N THR A 100 5.307 -10.974 -6.062 1.00 0.00 N ATOM 1180 CA THR A 100 5.534 -11.780 -4.872 1.00 0.00 C ATOM 1181 C THR A 100 4.217 -12.137 -4.176 1.00 0.00 C ATOM 1182 O THR A 100 3.612 -11.298 -3.509 1.00 0.00 O ATOM 1183 CB THR A 100 6.461 -11.040 -3.890 1.00 0.00 C ATOM 1184 OG1 THR A 100 6.144 -9.638 -3.887 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.924 -11.238 -4.260 1.00 0.00 C ATOM 0 H THR A 100 5.291 -9.968 -5.892 1.00 0.00 H new ATOM 0 HA THR A 100 6.012 -12.707 -5.189 1.00 0.00 H new ATOM 0 HB THR A 100 6.304 -11.453 -2.894 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.734 -9.170 -3.260 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.555 -10.704 -3.549 1.00 0.00 H new ATOM 0 HG22 THR A 100 8.166 -12.301 -4.233 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.101 -10.851 -5.264 1.00 0.00 H new ATOM 1193 N PRO A 101 3.766 -13.396 -4.322 1.00 0.00 N ATOM 1194 CA PRO A 101 2.480 -13.847 -3.775 1.00 0.00 C ATOM 1195 C PRO A 101 2.495 -13.983 -2.257 1.00 0.00 C ATOM 1196 O PRO A 101 1.477 -13.781 -1.596 1.00 0.00 O ATOM 1197 CB PRO A 101 2.278 -15.216 -4.428 1.00 0.00 C ATOM 1198 CG PRO A 101 3.650 -15.702 -4.740 1.00 0.00 C ATOM 1199 CD PRO A 101 4.472 -14.478 -5.039 1.00 0.00 C ATOM 0 HA PRO A 101 1.684 -13.132 -3.983 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.760 -15.901 -3.756 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.673 -15.137 -5.331 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.068 -16.255 -3.899 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.638 -16.380 -5.593 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.497 -14.589 -4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.522 -14.282 -6.110 1.00 0.00 H new ATOM 1207 N GLN A 102 3.655 -14.319 -1.715 1.00 0.00 N ATOM 1208 CA GLN A 102 3.795 -14.538 -0.282 1.00 0.00 C ATOM 1209 C GLN A 102 3.986 -13.213 0.446 1.00 0.00 C ATOM 1210 O GLN A 102 3.509 -13.024 1.567 1.00 0.00 O ATOM 1211 CB GLN A 102 4.974 -15.473 -0.001 1.00 0.00 C ATOM 1212 CG GLN A 102 5.113 -15.858 1.460 1.00 0.00 C ATOM 1213 CD GLN A 102 6.270 -16.806 1.707 1.00 0.00 C ATOM 1214 OE1 GLN A 102 7.282 -16.772 1.004 1.00 0.00 O ATOM 1215 NE2 GLN A 102 6.126 -17.665 2.702 1.00 0.00 N ATOM 0 H GLN A 102 4.516 -14.447 -2.247 1.00 0.00 H new ATOM 0 HA GLN A 102 2.882 -15.005 0.087 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.858 -16.378 -0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.895 -14.991 -0.330 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.253 -14.957 2.057 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.188 -16.324 1.798 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.272 -17.660 3.260 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.869 -18.332 2.911 1.00 0.00 H new ATOM 1224 N SER A 103 4.675 -12.294 -0.207 1.00 0.00 N ATOM 1225 CA SER A 103 4.978 -11.007 0.385 1.00 0.00 C ATOM 1226 C SER A 103 3.754 -10.099 0.364 1.00 0.00 C ATOM 1227 O SER A 103 3.463 -9.408 1.343 1.00 0.00 O ATOM 1228 CB SER A 103 6.126 -10.359 -0.382 1.00 0.00 C ATOM 1229 OG SER A 103 7.096 -11.327 -0.743 1.00 0.00 O ATOM 0 H SER A 103 5.036 -12.418 -1.153 1.00 0.00 H new ATOM 0 HA SER A 103 5.270 -11.156 1.425 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.742 -9.870 -1.277 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.588 -9.585 0.230 1.00 0.00 H new ATOM 0 HG SER A 103 7.824 -10.893 -1.236 1.00 0.00 H new ATOM 1235 N SER A 104 3.028 -10.126 -0.744 1.00 0.00 N ATOM 1236 CA SER A 104 1.900 -9.232 -0.938 1.00 0.00 C ATOM 1237 C SER A 104 0.598 -9.869 -0.448 1.00 0.00 C ATOM 1238 O SER A 104 0.380 -11.071 -0.606 1.00 0.00 O ATOM 1239 CB SER A 104 1.788 -8.863 -2.416 1.00 0.00 C ATOM 1240 OG SER A 104 3.050 -8.479 -2.936 1.00 0.00 O ATOM 0 H SER A 104 3.202 -10.760 -1.524 1.00 0.00 H new ATOM 0 HA SER A 104 2.069 -8.329 -0.351 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.401 -9.712 -2.979 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.075 -8.047 -2.539 1.00 0.00 H new ATOM 0 HG SER A 104 3.527 -9.273 -3.256 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.252 -9.054 0.159 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.540 -9.511 0.651 1.00 0.00 C ATOM 1248 C ILE A 105 -2.673 -8.801 -0.083 1.00 0.00 C ATOM 1249 O ILE A 105 -2.481 -7.727 -0.660 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.693 -9.272 2.174 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.473 -7.790 2.512 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.734 -10.165 2.956 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.572 -7.469 3.988 1.00 0.00 C ATOM 0 H ILE A 105 -0.069 -8.064 0.323 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.592 -10.584 0.464 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.709 -9.535 2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.490 -7.489 2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.207 -7.193 1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -0.856 -9.983 4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.952 -11.211 2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.292 -9.940 2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.404 -6.403 4.141 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.564 -7.736 4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.819 -8.037 4.535 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.844 -9.413 -0.067 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.019 -8.844 -0.707 1.00 0.00 C ATOM 1267 C ILE A 106 -6.020 -8.395 0.349 1.00 0.00 C ATOM 1268 O ILE A 106 -6.587 -9.218 1.069 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.690 -9.857 -1.662 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.771 -10.151 -2.847 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.036 -9.333 -2.152 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.254 -11.287 -3.724 1.00 0.00 C ATOM 0 H ILE A 106 -4.008 -10.312 0.386 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.695 -7.986 -1.296 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.866 -10.782 -1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.676 -9.251 -3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.776 -10.390 -2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.489 -10.064 -2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.694 -9.167 -1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.889 -8.394 -2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.552 -11.438 -4.544 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.322 -12.200 -3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.236 -11.042 -4.128 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.220 -7.095 0.450 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.141 -6.540 1.431 1.00 0.00 C ATOM 1286 C CYS A 107 -8.522 -6.341 0.817 1.00 0.00 C ATOM 1287 O CYS A 107 -8.655 -6.167 -0.394 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.598 -5.222 1.977 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.010 -5.398 2.859 1.00 0.00 S ATOM 0 H CYS A 107 -5.757 -6.400 -0.135 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.236 -7.244 2.258 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.470 -4.521 1.152 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.334 -4.787 2.653 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.549 -6.381 1.654 1.00 0.00 N ATOM 1295 CA TYR A 108 -10.920 -6.252 1.185 1.00 0.00 C ATOM 1296 C TYR A 108 -11.612 -5.088 1.879 1.00 0.00 C ATOM 1297 O TYR A 108 -11.180 -4.646 2.944 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.689 -7.552 1.427 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.151 -8.728 0.636 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.460 -8.881 -0.711 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.334 -9.681 1.233 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -10.972 -9.949 -1.439 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -9.842 -10.750 0.510 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.163 -10.880 -0.824 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.675 -11.947 -1.545 1.00 0.00 O ATOM 0 H TYR A 108 -9.458 -6.502 2.663 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.903 -6.053 0.113 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.655 -7.793 2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.737 -7.399 1.168 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.092 -8.152 -1.197 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.080 -9.584 2.278 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.223 -10.054 -2.484 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.208 -11.482 0.988 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.121 -12.509 -0.964 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.686 -4.601 1.278 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.394 -3.469 1.838 1.00 0.00 C ATOM 1317 C GLY A 109 -13.233 -2.219 0.997 1.00 0.00 C ATOM 1318 O GLY A 109 -13.430 -2.249 -0.219 1.00 0.00 O ATOM 0 H GLY A 109 -13.080 -4.969 0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.453 -3.712 1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.027 -3.276 2.846 1.00 0.00 H new ATOM 1322 N GLN A 110 -12.863 -1.123 1.642 1.00 0.00 N ATOM 1323 CA GLN A 110 -12.681 0.145 0.952 1.00 0.00 C ATOM 1324 C GLN A 110 -11.252 0.635 1.118 1.00 0.00 C ATOM 1325 O GLN A 110 -10.628 0.394 2.152 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.650 1.198 1.488 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.117 0.861 1.268 1.00 0.00 C ATOM 1328 CD GLN A 110 -16.026 2.035 1.575 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -15.642 3.193 1.402 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -17.230 1.749 2.036 1.00 0.00 N ATOM 0 H GLN A 110 -12.682 -1.086 2.645 1.00 0.00 H new ATOM 0 HA GLN A 110 -12.886 -0.014 -0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.474 1.328 2.556 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.432 2.153 1.011 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.265 0.549 0.234 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.392 0.016 1.899 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -17.509 0.776 2.165 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.881 2.501 2.263 1.00 0.00 H new ATOM 1339 N LEU A 111 -10.748 1.305 0.082 1.00 0.00 N ATOM 1340 CA LEU A 111 -9.389 1.850 0.070 1.00 0.00 C ATOM 1341 C LEU A 111 -9.117 2.686 1.319 1.00 0.00 C ATOM 1342 O LEU A 111 -9.565 3.830 1.425 1.00 0.00 O ATOM 1343 CB LEU A 111 -9.179 2.699 -1.193 1.00 0.00 C ATOM 1344 CG LEU A 111 -7.844 3.456 -1.281 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -6.665 2.496 -1.348 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -7.843 4.382 -2.487 1.00 0.00 C ATOM 0 H LEU A 111 -11.271 1.486 -0.775 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.687 1.017 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.263 2.048 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.990 3.424 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 111 -7.736 4.053 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.737 3.064 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.651 1.874 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.762 1.862 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.892 4.912 -2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.981 3.796 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -8.656 5.103 -2.393 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.379 2.102 2.254 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.082 2.770 3.503 1.00 0.00 C ATOM 1360 C GLY A 112 -8.316 1.868 4.696 1.00 0.00 C ATOM 1361 O GLY A 112 -7.709 2.048 5.754 1.00 0.00 O ATOM 0 H GLY A 112 -7.978 1.168 2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.044 3.104 3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.703 3.661 3.595 1.00 0.00 H new ATOM 1365 N SER A 113 -9.190 0.885 4.522 1.00 0.00 N ATOM 1366 CA SER A 113 -9.520 -0.037 5.591 1.00 0.00 C ATOM 1367 C SER A 113 -8.754 -1.350 5.413 1.00 0.00 C ATOM 1368 O SER A 113 -9.017 -2.119 4.490 1.00 0.00 O ATOM 1369 CB SER A 113 -11.032 -0.289 5.611 1.00 0.00 C ATOM 1370 OG SER A 113 -11.425 -1.003 6.772 1.00 0.00 O ATOM 0 H SER A 113 -9.682 0.709 3.646 1.00 0.00 H new ATOM 0 HA SER A 113 -9.227 0.401 6.545 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.561 0.663 5.572 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.320 -0.851 4.722 1.00 0.00 H new ATOM 0 HG SER A 113 -12.394 -1.146 6.755 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.806 -1.595 6.302 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.983 -2.801 6.259 1.00 0.00 C ATOM 1378 C PHE A 114 -7.490 -3.815 7.276 1.00 0.00 C ATOM 1379 O PHE A 114 -6.750 -4.690 7.723 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.518 -2.461 6.568 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.849 -1.576 5.552 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -5.018 -0.200 5.588 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.037 -2.121 4.569 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.392 0.613 4.662 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.408 -1.312 3.645 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.586 0.056 3.690 1.00 0.00 C ATOM 0 H PHE A 114 -7.582 -0.967 7.074 1.00 0.00 H new ATOM 0 HA PHE A 114 -7.047 -3.226 5.257 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.470 -1.973 7.542 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.953 -3.390 6.649 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.646 0.241 6.348 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.895 -3.191 4.526 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.533 1.683 4.699 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.776 -1.749 2.886 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.095 0.689 2.966 1.00 0.00 H new ATOM 1396 N SER A 115 -8.762 -3.690 7.637 1.00 0.00 N ATOM 1397 CA SER A 115 -9.357 -4.516 8.682 1.00 0.00 C ATOM 1398 C SER A 115 -9.430 -5.993 8.284 1.00 0.00 C ATOM 1399 O SER A 115 -9.530 -6.872 9.141 1.00 0.00 O ATOM 1400 CB SER A 115 -10.755 -3.994 9.016 1.00 0.00 C ATOM 1401 OG SER A 115 -10.719 -2.616 9.360 1.00 0.00 O ATOM 0 H SER A 115 -9.406 -3.019 7.218 1.00 0.00 H new ATOM 0 HA SER A 115 -8.715 -4.450 9.560 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.415 -4.141 8.161 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.172 -4.568 9.844 1.00 0.00 H new ATOM 0 HG SER A 115 -9.980 -2.454 9.983 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.379 -6.270 6.988 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.463 -7.644 6.509 1.00 0.00 C ATOM 1409 C ASN A 116 -8.593 -7.840 5.278 1.00 0.00 C ATOM 1410 O ASN A 116 -8.942 -7.401 4.180 1.00 0.00 O ATOM 1411 CB ASN A 116 -10.916 -8.024 6.195 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.056 -9.479 5.782 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -11.016 -9.742 4.484 1.00 0.00 O flip ATOM 1414 ND2 ASN A 116 -11.208 -10.360 6.627 1.00 0.00 N flip ATOM 0 H ASN A 116 -9.281 -5.568 6.254 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.097 -8.298 7.301 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.536 -7.837 7.072 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.292 -7.384 5.396 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -11.234 -10.118 7.617 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -11.308 -11.333 6.337 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.456 -8.492 5.467 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.554 -8.792 4.365 1.00 0.00 C ATOM 1423 C CYS A 117 -6.229 -10.284 4.347 1.00 0.00 C ATOM 1424 O CYS A 117 -6.213 -10.934 5.391 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.269 -7.966 4.487 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.546 -6.169 4.659 1.00 0.00 S ATOM 0 H CYS A 117 -7.135 -8.825 6.376 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.044 -8.529 3.428 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.704 -8.319 5.350 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.651 -8.144 3.607 1.00 0.00 H new ATOM 1431 N SER A 118 -5.999 -10.827 3.161 1.00 0.00 N ATOM 1432 CA SER A 118 -5.721 -12.248 3.005 1.00 0.00 C ATOM 1433 C SER A 118 -4.436 -12.477 2.214 1.00 0.00 C ATOM 1434 O SER A 118 -4.114 -11.720 1.298 1.00 0.00 O ATOM 1435 CB SER A 118 -6.897 -12.932 2.306 1.00 0.00 C ATOM 1436 OG SER A 118 -8.099 -12.726 3.030 1.00 0.00 O ATOM 0 H SER A 118 -5.999 -10.302 2.287 1.00 0.00 H new ATOM 0 HA SER A 118 -5.586 -12.680 3.997 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.004 -12.539 1.295 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.701 -14.000 2.214 1.00 0.00 H new ATOM 0 HG SER A 118 -8.840 -13.169 2.567 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.702 -13.511 2.599 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.484 -13.915 1.906 1.00 0.00 C ATOM 1444 C HIS A 119 -2.807 -14.366 0.481 1.00 0.00 C ATOM 1445 O HIS A 119 -3.738 -15.145 0.266 1.00 0.00 O ATOM 1446 CB HIS A 119 -1.797 -15.040 2.692 1.00 0.00 C ATOM 1447 CG HIS A 119 -0.559 -15.592 2.048 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -0.517 -16.833 1.451 1.00 0.00 N ATOM 1449 CD2 HIS A 119 0.685 -15.074 1.923 1.00 0.00 C ATOM 1450 CE1 HIS A 119 0.697 -17.055 0.985 1.00 0.00 C ATOM 1451 NE2 HIS A 119 1.445 -16.003 1.258 1.00 0.00 N ATOM 0 H HIS A 119 -3.933 -14.096 3.402 1.00 0.00 H new ATOM 0 HA HIS A 119 -1.806 -13.064 1.843 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -1.539 -14.667 3.683 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.509 -15.853 2.834 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -1.303 -17.480 1.380 1.00 0.00 H new ATOM 0 HD2 HIS A 119 1.017 -14.110 2.280 1.00 0.00 H new ATOM 0 HE1 HIS A 119 1.023 -17.946 0.468 1.00 0.00 H new ATOM 1459 N SER A 120 -2.036 -13.873 -0.481 1.00 0.00 N ATOM 1460 CA SER A 120 -2.290 -14.156 -1.885 1.00 0.00 C ATOM 1461 C SER A 120 -1.810 -15.555 -2.260 1.00 0.00 C ATOM 1462 O SER A 120 -0.755 -16.003 -1.813 1.00 0.00 O ATOM 1463 CB SER A 120 -1.598 -13.113 -2.770 1.00 0.00 C ATOM 1464 OG SER A 120 -1.865 -13.348 -4.145 1.00 0.00 O ATOM 0 H SER A 120 -1.228 -13.274 -0.312 1.00 0.00 H new ATOM 0 HA SER A 120 -3.367 -14.108 -2.048 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.940 -12.115 -2.496 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.522 -13.140 -2.596 1.00 0.00 H new ATOM 0 HG SER A 120 -1.413 -12.668 -4.687 1.00 0.00 H new ATOM 1470 N ARG A 121 -2.598 -16.239 -3.077 1.00 0.00 N ATOM 1471 CA ARG A 121 -2.242 -17.564 -3.561 1.00 0.00 C ATOM 1472 C ARG A 121 -1.961 -17.538 -5.058 1.00 0.00 C ATOM 1473 O ARG A 121 -1.870 -18.581 -5.705 1.00 0.00 O ATOM 1474 CB ARG A 121 -3.366 -18.547 -3.252 1.00 0.00 C ATOM 1475 CG ARG A 121 -3.395 -18.990 -1.802 1.00 0.00 C ATOM 1476 CD ARG A 121 -2.161 -19.806 -1.462 1.00 0.00 C ATOM 1477 NE ARG A 121 -2.049 -20.986 -2.316 1.00 0.00 N ATOM 1478 CZ ARG A 121 -1.151 -21.945 -2.141 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -0.244 -21.842 -1.182 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -1.154 -23.005 -2.930 1.00 0.00 N ATOM 0 H ARG A 121 -3.495 -15.895 -3.420 1.00 0.00 H new ATOM 0 HA ARG A 121 -1.334 -17.886 -3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -4.321 -18.086 -3.503 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.258 -19.424 -3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.450 -18.117 -1.152 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.291 -19.583 -1.616 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -1.271 -19.187 -1.576 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.203 -20.114 -0.417 1.00 0.00 H new ATOM 0 HE ARG A 121 -2.702 -21.077 -3.094 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -0.235 -21.023 -0.575 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.445 -22.582 -1.050 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.847 -23.085 -3.674 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.463 -23.743 -2.795 1.00 0.00 H new ATOM 1493 N ASN A 122 -1.817 -16.342 -5.602 1.00 0.00 N ATOM 1494 CA ASN A 122 -1.571 -16.177 -7.026 1.00 0.00 C ATOM 1495 C ASN A 122 -0.198 -15.571 -7.254 1.00 0.00 C ATOM 1496 O ASN A 122 0.142 -14.553 -6.653 1.00 0.00 O ATOM 1497 CB ASN A 122 -2.648 -15.293 -7.671 1.00 0.00 C ATOM 1498 CG ASN A 122 -4.021 -15.941 -7.681 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -4.146 -17.164 -7.771 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -5.062 -15.126 -7.596 1.00 0.00 N ATOM 0 H ASN A 122 -1.866 -15.468 -5.078 1.00 0.00 H new ATOM 0 HA ASN A 122 -1.610 -17.161 -7.493 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -2.703 -14.347 -7.133 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -2.354 -15.061 -8.695 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -6.009 -15.505 -7.604 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.917 -14.119 -7.523 1.00 0.00 H new ATOM 1507 N ASP A 123 0.584 -16.188 -8.133 1.00 0.00 N ATOM 1508 CA ASP A 123 1.934 -15.711 -8.435 1.00 0.00 C ATOM 1509 C ASP A 123 1.883 -14.560 -9.435 1.00 0.00 C ATOM 1510 O ASP A 123 2.806 -14.347 -10.220 1.00 0.00 O ATOM 1511 CB ASP A 123 2.803 -16.848 -8.986 1.00 0.00 C ATOM 1512 CG ASP A 123 3.062 -17.944 -7.968 1.00 0.00 C ATOM 1513 OD1 ASP A 123 2.150 -18.760 -7.713 1.00 0.00 O ATOM 1514 OD2 ASP A 123 4.188 -18.009 -7.435 1.00 0.00 O ATOM 0 H ASP A 123 0.308 -17.022 -8.651 1.00 0.00 H new ATOM 0 HA ASP A 123 2.381 -15.352 -7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.315 -17.280 -9.860 1.00 0.00 H new ATOM 0 HB3 ASP A 123 3.756 -16.439 -9.322 1.00 0.00 H new ATOM 1519 N MET A 124 0.787 -13.824 -9.393 1.00 0.00 N ATOM 1520 CA MET A 124 0.575 -12.683 -10.257 1.00 0.00 C ATOM 1521 C MET A 124 -0.008 -11.541 -9.438 1.00 0.00 C ATOM 1522 O MET A 124 -1.200 -11.532 -9.136 1.00 0.00 O ATOM 1523 CB MET A 124 -0.386 -13.043 -11.393 1.00 0.00 C ATOM 1524 CG MET A 124 -0.709 -11.877 -12.311 1.00 0.00 C ATOM 1525 SD MET A 124 -2.038 -12.254 -13.469 1.00 0.00 S ATOM 1526 CE MET A 124 -1.342 -13.660 -14.332 1.00 0.00 C ATOM 0 H MET A 124 0.014 -14.005 -8.752 1.00 0.00 H new ATOM 0 HA MET A 124 1.528 -12.382 -10.691 1.00 0.00 H new ATOM 0 HB2 MET A 124 0.049 -13.849 -11.983 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.313 -13.425 -10.966 1.00 0.00 H new ATOM 0 HG2 MET A 124 -0.991 -11.013 -11.709 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.186 -11.599 -12.868 1.00 0.00 H new ATOM 0 HE1 MET A 124 -1.921 -13.856 -15.235 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.308 -13.445 -14.603 1.00 0.00 H new ATOM 0 HE3 MET A 124 -1.373 -14.536 -13.684 1.00 0.00 H new ATOM 1536 N CYS A 125 0.830 -10.596 -9.056 1.00 0.00 N ATOM 1537 CA CYS A 125 0.375 -9.474 -8.253 1.00 0.00 C ATOM 1538 C CYS A 125 1.079 -8.194 -8.667 1.00 0.00 C ATOM 1539 O CYS A 125 2.291 -8.179 -8.892 1.00 0.00 O ATOM 1540 CB CYS A 125 0.605 -9.743 -6.762 1.00 0.00 C ATOM 1541 SG CYS A 125 0.299 -8.300 -5.691 1.00 0.00 S ATOM 0 H CYS A 125 1.824 -10.581 -9.286 1.00 0.00 H new ATOM 0 HA CYS A 125 -0.695 -9.353 -8.423 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.044 -10.560 -6.447 1.00 0.00 H new ATOM 0 HB3 CYS A 125 1.632 -10.078 -6.618 1.00 0.00 H new ATOM 1546 N HIS A 126 0.302 -7.130 -8.798 1.00 0.00 N ATOM 1547 CA HIS A 126 0.850 -5.816 -9.064 1.00 0.00 C ATOM 1548 C HIS A 126 1.097 -5.111 -7.745 1.00 0.00 C ATOM 1549 O HIS A 126 0.166 -4.921 -6.957 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.096 -4.986 -9.935 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.352 -5.583 -11.286 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -1.611 -5.678 -11.844 1.00 0.00 N ATOM 1553 CD2 HIS A 126 0.500 -6.113 -12.196 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -1.522 -6.244 -13.032 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -0.254 -6.515 -13.268 1.00 0.00 N ATOM 0 H HIS A 126 -0.715 -7.155 -8.723 1.00 0.00 H new ATOM 0 HA HIS A 126 1.787 -5.929 -9.609 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -1.046 -4.868 -9.414 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.323 -3.988 -10.062 1.00 0.00 H new ATOM 0 HD2 HIS A 126 1.572 -6.202 -12.096 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.347 -6.450 -13.698 1.00 0.00 H new ATOM 0 HE2 HIS A 126 0.109 -6.954 -14.114 1.00 0.00 H new ATOM 1563 N SER A 127 2.341 -4.755 -7.500 1.00 0.00 N ATOM 1564 CA SER A 127 2.725 -4.143 -6.244 1.00 0.00 C ATOM 1565 C SER A 127 2.144 -2.738 -6.134 1.00 0.00 C ATOM 1566 O SER A 127 2.412 -1.875 -6.979 1.00 0.00 O ATOM 1567 CB SER A 127 4.249 -4.091 -6.146 1.00 0.00 C ATOM 1568 OG SER A 127 4.825 -5.348 -6.475 1.00 0.00 O ATOM 0 H SER A 127 3.109 -4.880 -8.159 1.00 0.00 H new ATOM 0 HA SER A 127 2.330 -4.742 -5.423 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.634 -3.324 -6.818 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.542 -3.806 -5.136 1.00 0.00 H new ATOM 0 HG SER A 127 5.799 -5.298 -6.374 1.00 0.00 H new ATOM 1574 N LEU A 128 1.335 -2.514 -5.104 1.00 0.00 N ATOM 1575 CA LEU A 128 0.749 -1.205 -4.879 1.00 0.00 C ATOM 1576 C LEU A 128 1.837 -0.228 -4.461 1.00 0.00 C ATOM 1577 O LEU A 128 2.597 -0.492 -3.526 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.344 -1.269 -3.810 1.00 0.00 C ATOM 1579 CG LEU A 128 -1.154 0.016 -3.626 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.968 0.324 -4.876 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -2.063 -0.097 -2.414 1.00 0.00 C ATOM 0 H LEU A 128 1.073 -3.221 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 128 0.290 -0.864 -5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.029 -2.078 -4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.117 -1.528 -2.857 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.457 0.838 -3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.536 1.242 -4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -1.297 0.450 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.654 -0.499 -5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.632 0.826 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.750 -0.932 -2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.460 -0.266 -1.522 1.00 0.00 H new ATOM 1593 N GLY A 129 1.916 0.886 -5.159 1.00 0.00 N ATOM 1594 CA GLY A 129 2.965 1.838 -4.909 1.00 0.00 C ATOM 1595 C GLY A 129 2.436 3.212 -4.605 1.00 0.00 C ATOM 1596 O GLY A 129 1.472 3.669 -5.223 1.00 0.00 O ATOM 0 H GLY A 129 1.266 1.149 -5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.572 1.493 -4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.620 1.889 -5.779 1.00 0.00 H new ATOM 1600 N LEU A 130 3.070 3.869 -3.656 1.00 0.00 N ATOM 1601 CA LEU A 130 2.695 5.213 -3.284 1.00 0.00 C ATOM 1602 C LEU A 130 3.874 6.142 -3.536 1.00 0.00 C ATOM 1603 O LEU A 130 4.952 5.959 -2.971 1.00 0.00 O ATOM 1604 CB LEU A 130 2.275 5.257 -1.813 1.00 0.00 C ATOM 1605 CG LEU A 130 1.704 6.591 -1.326 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.451 6.959 -2.105 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.406 6.518 0.161 1.00 0.00 C ATOM 0 H LEU A 130 3.854 3.488 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 130 1.846 5.539 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.529 4.480 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.141 5.007 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 130 2.448 7.369 -1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.063 7.911 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.694 7.047 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.303 6.184 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.000 7.472 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.679 5.728 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.325 6.302 0.706 1.00 0.00 H new ATOM 1619 N THR A 131 3.683 7.105 -4.419 1.00 0.00 N ATOM 1620 CA THR A 131 4.738 8.041 -4.764 1.00 0.00 C ATOM 1621 C THR A 131 4.580 9.330 -3.964 1.00 0.00 C ATOM 1622 O THR A 131 3.844 10.225 -4.364 1.00 0.00 O ATOM 1623 CB THR A 131 4.705 8.364 -6.270 1.00 0.00 C ATOM 1624 OG1 THR A 131 4.577 7.146 -7.018 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.964 9.101 -6.710 1.00 0.00 C ATOM 0 H THR A 131 2.804 7.260 -4.912 1.00 0.00 H new ATOM 0 HA THR A 131 5.696 7.580 -4.522 1.00 0.00 H new ATOM 0 HB THR A 131 3.849 9.012 -6.459 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.437 6.677 -7.029 1.00 0.00 H new ATOM 0 HG21 THR A 131 5.907 9.313 -7.778 1.00 0.00 H new ATOM 0 HG22 THR A 131 6.049 10.037 -6.158 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.838 8.481 -6.509 1.00 0.00 H new ATOM 1633 N CYS A 132 5.253 9.411 -2.829 1.00 0.00 N ATOM 1634 CA CYS A 132 5.171 10.594 -1.981 1.00 0.00 C ATOM 1635 C CYS A 132 6.267 11.584 -2.355 1.00 0.00 C ATOM 1636 O CYS A 132 7.381 11.182 -2.696 1.00 0.00 O ATOM 1637 CB CYS A 132 5.305 10.200 -0.508 1.00 0.00 C ATOM 1638 SG CYS A 132 4.213 8.832 -0.008 1.00 0.00 S ATOM 0 H CYS A 132 5.862 8.675 -2.472 1.00 0.00 H new ATOM 0 HA CYS A 132 4.200 11.065 -2.133 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.339 9.917 -0.310 1.00 0.00 H new ATOM 0 HB3 CYS A 132 5.088 11.070 0.112 1.00 0.00 H new ATOM 1643 N LEU A 133 5.946 12.874 -2.307 1.00 0.00 N ATOM 1644 CA LEU A 133 6.926 13.910 -2.601 1.00 0.00 C ATOM 1645 C LEU A 133 8.067 13.866 -1.593 1.00 0.00 C ATOM 1646 O LEU A 133 7.877 14.149 -0.409 1.00 0.00 O ATOM 1647 CB LEU A 133 6.272 15.292 -2.601 1.00 0.00 C ATOM 1648 CG LEU A 133 5.277 15.541 -3.739 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.639 16.913 -3.600 1.00 0.00 C ATOM 1650 CD2 LEU A 133 5.964 15.420 -5.091 1.00 0.00 C ATOM 0 H LEU A 133 5.018 13.224 -2.068 1.00 0.00 H new ATOM 0 HA LEU A 133 7.331 13.722 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.756 15.433 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 133 7.056 16.048 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 133 4.496 14.783 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.935 17.072 -4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.110 16.974 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.413 17.679 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.239 15.601 -5.885 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.766 16.155 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.379 14.418 -5.200 1.00 0.00 H new ATOM 1662 N GLU A 134 9.241 13.490 -2.070 1.00 0.00 N ATOM 1663 CA GLU A 134 10.413 13.358 -1.223 1.00 0.00 C ATOM 1664 C GLU A 134 11.356 14.529 -1.465 1.00 0.00 C ATOM 1665 O GLU A 134 12.130 14.478 -2.442 1.00 0.00 O ATOM 1666 CB GLU A 134 11.122 12.026 -1.506 1.00 0.00 C ATOM 1667 CG GLU A 134 12.265 11.715 -0.552 1.00 0.00 C ATOM 1668 CD GLU A 134 12.965 10.412 -0.888 1.00 0.00 C ATOM 1669 OE1 GLU A 134 12.414 9.335 -0.576 1.00 0.00 O ATOM 1670 OE2 GLU A 134 14.083 10.459 -1.449 1.00 0.00 O ATOM 1671 OXT GLU A 134 11.301 15.511 -0.693 1.00 0.00 O ATOM 0 H GLU A 134 9.408 13.268 -3.052 1.00 0.00 H new ATOM 0 HA GLU A 134 10.104 13.367 -0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 134 10.391 11.219 -1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 134 11.508 12.042 -2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.989 12.530 -0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.880 11.665 0.467 1.00 0.00 H new