USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=38 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 78 SER OG : rot -89:sc= 1.36 USER MOD Set 1.2: A 79 LYS NZ :NH3+ 152:sc= 0.00947 (180deg=-0.676) USER MOD Set 2.1: A 29 TYR OH : rot 30:sc= 0.199 USER MOD Set 2.2: A 76 GLN : amide:sc= 0.0349 X(o=0.23,f=0.59) USER MOD Set 3.1: A 68 SER OG : rot -61:sc= 1.2 USER MOD Set 3.2: A 99 TYR OH : rot 48:sc= 0.349 USER MOD Set 3.3: A 126 HIS : no HE2:sc= 1.52 K(o=3.1,f=-6.9!) USER MOD Set 4.1: A 58 MET CE :methyl 147:sc= -0.133 (180deg=-0.668) USER MOD Set 4.2: A 98 THR OG1 : rot -150:sc= 1.11 USER MOD Set 4.3: A 127 SER OG : rot 134:sc= 1.21 USER MOD Set 5.1: A 38 THR OG1 : rot 144:sc= 0.162 USER MOD Set 5.2: A 40 SER OG : rot -80:sc= 0 USER MOD Set 5.3: A 47 GLN : amide:sc= -1.05 X(o=-0.89,f=-1.2) USER MOD Set 6.1: A 45 GLN : amide:sc= -0.231 K(o=-1.1,f=-1.7) USER MOD Set 6.2: A 131 THR OG1 : rot 180:sc= -0.825 USER MOD Single : A 27 SER OG : rot 44:sc= 1.23 USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 41 ASN : amide:sc= -1.34! C(o=-1.3!,f=-1.2!) USER MOD Single : A 42 SER OG : rot -101:sc= 0.761 USER MOD Single : A 43 LYS NZ :NH3+ -108:sc= 0.543 (180deg=-0.93!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= -0.0165 (180deg=-0.44) USER MOD Single : A 57 HIS : no HE2:sc= -1.21 K(o=-1.2,f=-4.1!) USER MOD Single : A 61 SER OG : rot 87:sc= 0.0199 USER MOD Single : A 62 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.28) USER MOD Single : A 63 SER OG : rot 92:sc= 1.88 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 149:sc= 1.22 (180deg=0.972) USER MOD Single : A 70 GLN : amide:sc= 1.18 K(o=1.2,f=-0.0019) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN :FLIP amide:sc= -0.0287 F(o=-1.3!,f=-0.029) USER MOD Single : A 85 ASN :FLIP amide:sc= -0.26 F(o=-1.1,f=-0.26) USER MOD Single : A 91 SER OG : rot 180:sc=-0.00988 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc=-0.00455 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -78:sc= 1.32 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -1.12 X(o=-1.1,f=-0.7) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -52:sc= 0.738 USER MOD Single : A 116 ASN :FLIP amide:sc= -0.333 F(o=-1,f=-0.33) USER MOD Single : A 118 SER OG : rot -170:sc= -0.181 USER MOD Single : A 119 HIS : no HE2:sc= -2.92! C(o=-2.9!,f=-3.6!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= 0 K(o=0,f=-3.3!) USER MOD Single : A 124 MET CE :methyl 162:sc= -0.132 (180deg=-0.619) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -7.227 -1.784 11.663 1.00 0.00 N ATOM 24 CA LEU A 26 -6.146 -1.460 10.750 1.00 0.00 C ATOM 25 C LEU A 26 -6.658 -0.585 9.616 1.00 0.00 C ATOM 26 O LEU A 26 -7.289 -1.066 8.679 1.00 0.00 O ATOM 27 CB LEU A 26 -5.515 -2.740 10.190 1.00 0.00 C ATOM 28 CG LEU A 26 -4.935 -3.701 11.233 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.374 -4.938 10.555 1.00 0.00 C ATOM 30 CD2 LEU A 26 -3.858 -3.019 12.063 1.00 0.00 C ATOM 0 HA LEU A 26 -5.382 -0.909 11.299 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.269 -3.273 9.611 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.721 -2.460 9.498 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.740 -4.001 11.903 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.965 -5.612 11.308 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.169 -5.445 10.007 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.585 -4.647 9.862 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.463 -3.723 12.796 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.052 -2.685 11.410 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.286 -2.160 12.579 1.00 0.00 H new ATOM 42 N SER A 27 -6.409 0.707 9.722 1.00 0.00 N ATOM 43 CA SER A 27 -6.793 1.646 8.688 1.00 0.00 C ATOM 44 C SER A 27 -5.729 2.723 8.570 1.00 0.00 C ATOM 45 O SER A 27 -5.041 3.029 9.544 1.00 0.00 O ATOM 46 CB SER A 27 -8.147 2.275 9.021 1.00 0.00 C ATOM 47 OG SER A 27 -8.638 3.046 7.936 1.00 0.00 O ATOM 0 H SER A 27 -5.938 1.131 10.521 1.00 0.00 H new ATOM 0 HA SER A 27 -6.883 1.120 7.737 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.864 1.491 9.267 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.050 2.907 9.904 1.00 0.00 H new ATOM 0 HG SER A 27 -8.502 2.556 7.098 1.00 0.00 H new ATOM 53 N TRP A 28 -5.600 3.313 7.388 1.00 0.00 N ATOM 54 CA TRP A 28 -4.574 4.322 7.152 1.00 0.00 C ATOM 55 C TRP A 28 -4.966 5.682 7.738 1.00 0.00 C ATOM 56 O TRP A 28 -4.610 6.729 7.205 1.00 0.00 O ATOM 57 CB TRP A 28 -4.243 4.437 5.654 1.00 0.00 C ATOM 58 CG TRP A 28 -5.422 4.655 4.744 1.00 0.00 C ATOM 59 CD1 TRP A 28 -6.652 5.148 5.075 1.00 0.00 C ATOM 60 CD2 TRP A 28 -5.461 4.397 3.333 1.00 0.00 C ATOM 61 NE1 TRP A 28 -7.457 5.195 3.965 1.00 0.00 N ATOM 62 CE2 TRP A 28 -6.749 4.743 2.882 1.00 0.00 C ATOM 63 CE3 TRP A 28 -4.534 3.901 2.406 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -7.131 4.614 1.549 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.916 3.774 1.082 1.00 0.00 C ATOM 66 CH2 TRP A 28 -6.205 4.129 0.666 1.00 0.00 C ATOM 0 H TRP A 28 -6.190 3.112 6.581 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.673 3.995 7.671 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.543 5.261 5.517 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.729 3.528 5.343 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.948 5.456 6.067 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -8.426 5.515 3.948 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.539 3.623 2.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.124 4.887 1.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.209 3.395 0.359 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.474 4.018 -0.374 1.00 0.00 H new ATOM 77 N TYR A 29 -5.706 5.645 8.836 1.00 0.00 N ATOM 78 CA TYR A 29 -6.041 6.842 9.591 1.00 0.00 C ATOM 79 C TYR A 29 -5.622 6.673 11.047 1.00 0.00 C ATOM 80 O TYR A 29 -5.876 7.543 11.883 1.00 0.00 O ATOM 81 CB TYR A 29 -7.544 7.130 9.531 1.00 0.00 C ATOM 82 CG TYR A 29 -8.028 7.666 8.203 1.00 0.00 C ATOM 83 CD1 TYR A 29 -7.803 8.990 7.850 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.721 6.856 7.312 1.00 0.00 C ATOM 85 CE1 TYR A 29 -8.252 9.491 6.646 1.00 0.00 C ATOM 86 CE2 TYR A 29 -9.176 7.353 6.108 1.00 0.00 C ATOM 87 CZ TYR A 29 -8.937 8.670 5.778 1.00 0.00 C ATOM 88 OH TYR A 29 -9.397 9.170 4.582 1.00 0.00 O ATOM 0 H TYR A 29 -6.090 4.785 9.228 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.506 7.680 9.145 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.086 6.212 9.757 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.795 7.848 10.311 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.268 9.638 8.529 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.906 5.823 7.565 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.067 10.523 6.385 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.717 6.713 5.427 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.804 9.888 4.278 1.00 0.00 H new ATOM 98 N ASP A 30 -4.987 5.545 11.346 1.00 0.00 N ATOM 99 CA ASP A 30 -4.628 5.203 12.716 1.00 0.00 C ATOM 100 C ASP A 30 -3.125 5.288 12.925 1.00 0.00 C ATOM 101 O ASP A 30 -2.345 4.870 12.074 1.00 0.00 O ATOM 102 CB ASP A 30 -5.112 3.793 13.057 1.00 0.00 C ATOM 103 CG ASP A 30 -6.621 3.680 13.032 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.273 4.284 13.908 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.165 3.002 12.136 1.00 0.00 O ATOM 0 H ASP A 30 -4.709 4.849 10.654 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.113 5.922 13.376 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.685 3.084 12.348 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.746 3.515 14.045 1.00 0.00 H new ATOM 110 N PRO A 31 -2.704 5.837 14.077 1.00 0.00 N ATOM 111 CA PRO A 31 -1.284 5.977 14.432 1.00 0.00 C ATOM 112 C PRO A 31 -0.590 4.631 14.624 1.00 0.00 C ATOM 113 O PRO A 31 0.634 4.536 14.553 1.00 0.00 O ATOM 114 CB PRO A 31 -1.313 6.743 15.762 1.00 0.00 C ATOM 115 CG PRO A 31 -2.678 7.328 15.853 1.00 0.00 C ATOM 116 CD PRO A 31 -3.582 6.385 15.120 1.00 0.00 C ATOM 0 HA PRO A 31 -0.726 6.480 13.642 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.114 6.078 16.602 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.550 7.521 15.784 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.987 7.436 16.893 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.707 8.322 15.407 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.968 5.604 15.775 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.444 6.899 14.694 1.00 0.00 H new ATOM 124 N ASP A 32 -1.379 3.596 14.881 1.00 0.00 N ATOM 125 CA ASP A 32 -0.844 2.246 15.050 1.00 0.00 C ATOM 126 C ASP A 32 -0.645 1.570 13.702 1.00 0.00 C ATOM 127 O ASP A 32 -0.080 0.477 13.618 1.00 0.00 O ATOM 128 CB ASP A 32 -1.764 1.391 15.923 1.00 0.00 C ATOM 129 CG ASP A 32 -1.776 1.834 17.370 1.00 0.00 C ATOM 130 OD1 ASP A 32 -2.612 2.684 17.728 1.00 0.00 O ATOM 131 OD2 ASP A 32 -0.955 1.328 18.161 1.00 0.00 O ATOM 0 H ASP A 32 -2.392 3.663 14.978 1.00 0.00 H new ATOM 0 HA ASP A 32 0.121 2.338 15.547 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.778 1.435 15.526 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.445 0.350 15.869 1.00 0.00 H new ATOM 136 N PHE A 33 -1.110 2.226 12.647 1.00 0.00 N ATOM 137 CA PHE A 33 -0.959 1.704 11.300 1.00 0.00 C ATOM 138 C PHE A 33 0.416 2.076 10.761 1.00 0.00 C ATOM 139 O PHE A 33 0.575 3.057 10.035 1.00 0.00 O ATOM 140 CB PHE A 33 -2.063 2.245 10.388 1.00 0.00 C ATOM 141 CG PHE A 33 -2.120 1.588 9.039 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.668 0.324 8.897 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.641 2.237 7.912 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.738 -0.279 7.660 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.705 1.636 6.671 1.00 0.00 C ATOM 146 CZ PHE A 33 -2.256 0.377 6.544 1.00 0.00 C ATOM 0 H PHE A 33 -1.595 3.122 12.701 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.047 0.618 11.325 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.025 2.116 10.884 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.915 3.316 10.253 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.045 -0.195 9.766 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.213 3.224 8.006 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.170 -1.264 7.563 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.325 2.150 5.801 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.310 -0.094 5.574 1.00 0.00 H new ATOM 156 N GLN A 34 1.410 1.298 11.150 1.00 0.00 N ATOM 157 CA GLN A 34 2.777 1.533 10.719 1.00 0.00 C ATOM 158 C GLN A 34 2.960 1.062 9.284 1.00 0.00 C ATOM 159 O GLN A 34 2.597 -0.062 8.944 1.00 0.00 O ATOM 160 CB GLN A 34 3.762 0.814 11.647 1.00 0.00 C ATOM 161 CG GLN A 34 3.741 1.329 13.077 1.00 0.00 C ATOM 162 CD GLN A 34 4.756 0.640 13.972 1.00 0.00 C ATOM 163 OE1 GLN A 34 5.069 -0.611 13.671 1.00 0.00 O flip ATOM 164 NE2 GLN A 34 5.252 1.230 14.928 1.00 0.00 N flip ATOM 0 H GLN A 34 1.295 0.494 11.767 1.00 0.00 H new ATOM 0 HA GLN A 34 2.980 2.603 10.766 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.532 -0.252 11.651 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.770 0.922 11.246 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.937 2.401 13.074 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.743 1.188 13.493 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.985 2.194 15.127 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.931 0.756 15.523 1.00 0.00 H new ATOM 173 N ALA A 35 3.510 1.924 8.443 1.00 0.00 N ATOM 174 CA ALA A 35 3.721 1.592 7.045 1.00 0.00 C ATOM 175 C ALA A 35 5.058 2.138 6.565 1.00 0.00 C ATOM 176 O ALA A 35 5.609 3.060 7.166 1.00 0.00 O ATOM 177 CB ALA A 35 2.583 2.138 6.190 1.00 0.00 C ATOM 0 H ALA A 35 3.818 2.860 8.706 1.00 0.00 H new ATOM 0 HA ALA A 35 3.736 0.507 6.946 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.757 1.880 5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.639 1.703 6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.538 3.222 6.294 1.00 0.00 H new ATOM 183 N ARG A 36 5.579 1.553 5.498 1.00 0.00 N ATOM 184 CA ARG A 36 6.833 1.997 4.912 1.00 0.00 C ATOM 185 C ARG A 36 6.837 1.734 3.414 1.00 0.00 C ATOM 186 O ARG A 36 6.144 0.839 2.925 1.00 0.00 O ATOM 187 CB ARG A 36 8.024 1.296 5.577 1.00 0.00 C ATOM 188 CG ARG A 36 7.982 -0.224 5.509 1.00 0.00 C ATOM 189 CD ARG A 36 9.208 -0.829 6.176 1.00 0.00 C ATOM 190 NE ARG A 36 9.355 -0.362 7.556 1.00 0.00 N ATOM 191 CZ ARG A 36 10.409 -0.622 8.329 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.386 -1.401 7.892 1.00 0.00 N ATOM 193 NH2 ARG A 36 10.485 -0.112 9.549 1.00 0.00 N ATOM 0 H ARG A 36 5.148 0.763 5.017 1.00 0.00 H new ATOM 0 HA ARG A 36 6.929 3.069 5.082 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.943 1.643 5.105 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.069 1.599 6.623 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.079 -0.589 5.998 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.933 -0.545 4.468 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.130 -1.916 6.165 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.100 -0.568 5.606 1.00 0.00 H new ATOM 0 HE ARG A 36 8.601 0.199 7.952 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.335 -1.807 6.958 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.189 -1.595 8.490 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.735 0.483 9.901 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.294 -0.314 10.137 1.00 0.00 H new ATOM 206 N LEU A 37 7.609 2.525 2.696 1.00 0.00 N ATOM 207 CA LEU A 37 7.748 2.367 1.260 1.00 0.00 C ATOM 208 C LEU A 37 9.115 1.786 0.944 1.00 0.00 C ATOM 209 O LEU A 37 10.138 2.327 1.372 1.00 0.00 O ATOM 210 CB LEU A 37 7.570 3.713 0.552 1.00 0.00 C ATOM 211 CG LEU A 37 6.191 4.355 0.717 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.177 5.756 0.130 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.128 3.491 0.061 1.00 0.00 C ATOM 0 H LEU A 37 8.156 3.292 3.088 1.00 0.00 H new ATOM 0 HA LEU A 37 6.975 1.687 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.323 4.406 0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.765 3.575 -0.512 1.00 0.00 H new ATOM 0 HG LEU A 37 5.970 4.431 1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.187 6.194 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.916 6.372 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.418 5.708 -0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.151 3.959 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.348 3.387 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.121 2.506 0.528 1.00 0.00 H new ATOM 225 N THR A 38 9.131 0.677 0.222 1.00 0.00 N ATOM 226 CA THR A 38 10.380 0.026 -0.140 1.00 0.00 C ATOM 227 C THR A 38 11.194 0.910 -1.076 1.00 0.00 C ATOM 228 O THR A 38 10.636 1.666 -1.874 1.00 0.00 O ATOM 229 CB THR A 38 10.133 -1.337 -0.813 1.00 0.00 C ATOM 230 OG1 THR A 38 9.259 -1.182 -1.939 1.00 0.00 O ATOM 231 CG2 THR A 38 9.532 -2.319 0.176 1.00 0.00 C ATOM 0 H THR A 38 8.294 0.209 -0.125 1.00 0.00 H new ATOM 0 HA THR A 38 10.937 -0.138 0.782 1.00 0.00 H new ATOM 0 HB THR A 38 11.090 -1.729 -1.157 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.533 -1.795 -2.653 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.365 -3.276 -0.318 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.216 -2.457 1.013 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.583 -1.930 0.544 1.00 0.00 H new ATOM 239 N ARG A 39 12.512 0.809 -0.978 1.00 0.00 N ATOM 240 CA ARG A 39 13.409 1.621 -1.790 1.00 0.00 C ATOM 241 C ARG A 39 13.460 1.100 -3.224 1.00 0.00 C ATOM 242 O ARG A 39 14.511 0.688 -3.715 1.00 0.00 O ATOM 243 CB ARG A 39 14.825 1.664 -1.196 1.00 0.00 C ATOM 244 CG ARG A 39 14.935 2.401 0.137 1.00 0.00 C ATOM 245 CD ARG A 39 14.266 1.642 1.274 1.00 0.00 C ATOM 246 NE ARG A 39 14.924 0.362 1.536 1.00 0.00 N ATOM 247 CZ ARG A 39 14.284 -0.798 1.617 1.00 0.00 C ATOM 248 NH1 ARG A 39 12.980 -0.853 1.401 1.00 0.00 N ATOM 249 NH2 ARG A 39 14.947 -1.906 1.895 1.00 0.00 N ATOM 0 H ARG A 39 12.986 0.169 -0.341 1.00 0.00 H new ATOM 0 HA ARG A 39 13.013 2.636 -1.795 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.179 0.642 -1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.492 2.140 -1.915 1.00 0.00 H new ATOM 0 HG2 ARG A 39 15.987 2.558 0.377 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.479 3.387 0.043 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.284 2.251 2.178 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.218 1.468 1.028 1.00 0.00 H new ATOM 0 HE ARG A 39 15.936 0.361 1.664 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.465 -0.003 1.172 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.490 -1.745 1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.955 -1.872 2.048 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.451 -2.795 1.956 1.00 0.00 H new ATOM 262 N SER A 40 12.306 1.104 -3.876 1.00 0.00 N ATOM 263 CA SER A 40 12.209 0.740 -5.278 1.00 0.00 C ATOM 264 C SER A 40 12.880 1.825 -6.108 1.00 0.00 C ATOM 265 O SER A 40 13.619 1.539 -7.046 1.00 0.00 O ATOM 266 CB SER A 40 10.736 0.576 -5.674 1.00 0.00 C ATOM 267 OG SER A 40 10.585 0.069 -6.990 1.00 0.00 O ATOM 0 H SER A 40 11.416 1.359 -3.448 1.00 0.00 H new ATOM 0 HA SER A 40 12.711 -0.211 -5.458 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.246 -0.096 -4.970 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.232 1.540 -5.598 1.00 0.00 H new ATOM 0 HG SER A 40 10.702 0.796 -7.636 1.00 0.00 H new ATOM 273 N ASN A 41 12.624 3.073 -5.735 1.00 0.00 N ATOM 274 CA ASN A 41 13.294 4.211 -6.345 1.00 0.00 C ATOM 275 C ASN A 41 13.962 5.048 -5.268 1.00 0.00 C ATOM 276 O ASN A 41 15.137 5.394 -5.373 1.00 0.00 O ATOM 277 CB ASN A 41 12.313 5.077 -7.139 1.00 0.00 C ATOM 278 CG ASN A 41 11.754 4.384 -8.369 1.00 0.00 C ATOM 279 OD1 ASN A 41 10.624 4.644 -8.775 1.00 0.00 O ATOM 280 ND2 ASN A 41 12.540 3.512 -8.976 1.00 0.00 N ATOM 0 H ASN A 41 11.953 3.322 -5.008 1.00 0.00 H new ATOM 0 HA ASN A 41 14.045 3.831 -7.037 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.488 5.367 -6.489 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.816 5.994 -7.445 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.214 3.028 -9.813 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.472 3.323 -8.608 1.00 0.00 H new ATOM 287 N SER A 42 13.209 5.353 -4.224 1.00 0.00 N ATOM 288 CA SER A 42 13.720 6.124 -3.105 1.00 0.00 C ATOM 289 C SER A 42 13.104 5.604 -1.811 1.00 0.00 C ATOM 290 O SER A 42 12.223 4.744 -1.840 1.00 0.00 O ATOM 291 CB SER A 42 13.406 7.612 -3.303 1.00 0.00 C ATOM 292 OG SER A 42 14.038 8.411 -2.315 1.00 0.00 O ATOM 0 H SER A 42 12.232 5.075 -4.129 1.00 0.00 H new ATOM 0 HA SER A 42 14.803 6.013 -3.047 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.736 7.926 -4.293 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.328 7.766 -3.263 1.00 0.00 H new ATOM 0 HG SER A 42 13.384 8.663 -1.630 1.00 0.00 H new ATOM 298 N LYS A 43 13.562 6.128 -0.681 1.00 0.00 N ATOM 299 CA LYS A 43 13.131 5.633 0.622 1.00 0.00 C ATOM 300 C LYS A 43 11.725 6.122 0.970 1.00 0.00 C ATOM 301 O LYS A 43 11.145 5.694 1.966 1.00 0.00 O ATOM 302 CB LYS A 43 14.127 6.018 1.730 1.00 0.00 C ATOM 303 CG LYS A 43 14.205 7.506 2.048 1.00 0.00 C ATOM 304 CD LYS A 43 15.002 8.281 1.007 1.00 0.00 C ATOM 305 CE LYS A 43 15.193 9.733 1.419 1.00 0.00 C ATOM 306 NZ LYS A 43 13.896 10.445 1.568 1.00 0.00 N ATOM 0 H LYS A 43 14.232 6.896 -0.640 1.00 0.00 H new ATOM 0 HA LYS A 43 13.104 4.545 0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.857 5.483 2.640 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.119 5.673 1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.197 7.915 2.108 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.663 7.642 3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.975 7.810 0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.487 8.239 0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.739 9.774 2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.804 10.244 0.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.775 11.115 0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.118 9.755 1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.887 10.964 2.469 1.00 0.00 H new ATOM 319 N CYS A 44 11.191 7.021 0.158 1.00 0.00 N ATOM 320 CA CYS A 44 9.814 7.464 0.308 1.00 0.00 C ATOM 321 C CYS A 44 9.095 7.326 -1.034 1.00 0.00 C ATOM 322 O CYS A 44 8.181 8.090 -1.361 1.00 0.00 O ATOM 323 CB CYS A 44 9.775 8.912 0.809 1.00 0.00 C ATOM 324 SG CYS A 44 8.147 9.466 1.422 1.00 0.00 S ATOM 0 H CYS A 44 11.693 7.459 -0.614 1.00 0.00 H new ATOM 0 HA CYS A 44 9.305 6.844 1.046 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.506 9.025 1.609 1.00 0.00 H new ATOM 0 HB3 CYS A 44 10.086 9.571 -0.002 1.00 0.00 H new ATOM 329 N GLN A 45 9.523 6.333 -1.809 1.00 0.00 N ATOM 330 CA GLN A 45 8.967 6.088 -3.134 1.00 0.00 C ATOM 331 C GLN A 45 9.150 4.623 -3.515 1.00 0.00 C ATOM 332 O GLN A 45 10.232 4.212 -3.953 1.00 0.00 O ATOM 333 CB GLN A 45 9.648 6.995 -4.166 1.00 0.00 C ATOM 334 CG GLN A 45 9.244 6.717 -5.606 1.00 0.00 C ATOM 335 CD GLN A 45 9.963 7.616 -6.594 1.00 0.00 C ATOM 336 OE1 GLN A 45 11.108 8.016 -6.374 1.00 0.00 O ATOM 337 NE2 GLN A 45 9.296 7.945 -7.687 1.00 0.00 N ATOM 0 H GLN A 45 10.259 5.681 -1.538 1.00 0.00 H new ATOM 0 HA GLN A 45 7.901 6.315 -3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.416 8.033 -3.930 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.728 6.882 -4.076 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.457 5.675 -5.845 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.168 6.854 -5.711 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.350 7.593 -7.832 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.728 8.551 -8.385 1.00 0.00 H new ATOM 346 N GLY A 46 8.096 3.838 -3.340 1.00 0.00 N ATOM 347 CA GLY A 46 8.179 2.424 -3.637 1.00 0.00 C ATOM 348 C GLY A 46 6.915 1.671 -3.284 1.00 0.00 C ATOM 349 O GLY A 46 5.824 2.240 -3.304 1.00 0.00 O ATOM 0 H GLY A 46 7.188 4.154 -2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.389 2.293 -4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.017 1.992 -3.090 1.00 0.00 H new ATOM 353 N GLN A 47 7.062 0.389 -2.961 1.00 0.00 N ATOM 354 CA GLN A 47 5.920 -0.462 -2.653 1.00 0.00 C ATOM 355 C GLN A 47 5.418 -0.174 -1.248 1.00 0.00 C ATOM 356 O GLN A 47 6.210 0.075 -0.338 1.00 0.00 O ATOM 357 CB GLN A 47 6.282 -1.950 -2.768 1.00 0.00 C ATOM 358 CG GLN A 47 6.536 -2.452 -4.187 1.00 0.00 C ATOM 359 CD GLN A 47 7.772 -1.856 -4.834 1.00 0.00 C ATOM 360 OE1 GLN A 47 8.884 -2.341 -4.634 1.00 0.00 O ATOM 361 NE2 GLN A 47 7.583 -0.826 -5.645 1.00 0.00 N ATOM 0 H GLN A 47 7.964 -0.083 -2.906 1.00 0.00 H new ATOM 0 HA GLN A 47 5.137 -0.240 -3.378 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.173 -2.137 -2.169 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.475 -2.538 -2.331 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.635 -3.537 -4.166 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.667 -2.223 -4.805 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.644 -0.452 -5.785 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.376 -0.407 -6.130 1.00 0.00 H new ATOM 370 N LEU A 48 4.105 -0.208 -1.078 1.00 0.00 N ATOM 371 CA LEU A 48 3.499 0.055 0.216 1.00 0.00 C ATOM 372 C LEU A 48 3.497 -1.201 1.077 1.00 0.00 C ATOM 373 O LEU A 48 2.730 -2.137 0.830 1.00 0.00 O ATOM 374 CB LEU A 48 2.069 0.571 0.041 1.00 0.00 C ATOM 375 CG LEU A 48 1.342 0.950 1.337 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.052 2.099 2.039 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.105 1.317 1.044 1.00 0.00 C ATOM 0 H LEU A 48 3.439 -0.416 -1.822 1.00 0.00 H new ATOM 0 HA LEU A 48 4.092 0.819 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.093 1.445 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.486 -0.193 -0.472 1.00 0.00 H new ATOM 0 HG LEU A 48 1.354 0.086 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.519 2.351 2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.072 1.802 2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.075 2.968 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.608 1.584 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.134 2.165 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.611 0.466 0.589 1.00 0.00 H new ATOM 389 N GLU A 49 4.373 -1.221 2.067 1.00 0.00 N ATOM 390 CA GLU A 49 4.393 -2.291 3.049 1.00 0.00 C ATOM 391 C GLU A 49 3.820 -1.799 4.364 1.00 0.00 C ATOM 392 O GLU A 49 4.251 -0.777 4.901 1.00 0.00 O ATOM 393 CB GLU A 49 5.807 -2.842 3.255 1.00 0.00 C ATOM 394 CG GLU A 49 6.173 -3.933 2.262 1.00 0.00 C ATOM 395 CD GLU A 49 7.495 -4.600 2.574 1.00 0.00 C ATOM 396 OE1 GLU A 49 7.687 -5.040 3.725 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.332 -4.722 1.660 1.00 0.00 O ATOM 0 H GLU A 49 5.084 -0.504 2.212 1.00 0.00 H new ATOM 0 HA GLU A 49 3.775 -3.106 2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.524 -2.026 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.893 -3.237 4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.386 -4.687 2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.216 -3.505 1.260 1.00 0.00 H new ATOM 404 N VAL A 50 2.839 -2.521 4.870 1.00 0.00 N ATOM 405 CA VAL A 50 2.145 -2.122 6.079 1.00 0.00 C ATOM 406 C VAL A 50 2.343 -3.155 7.175 1.00 0.00 C ATOM 407 O VAL A 50 2.548 -4.339 6.898 1.00 0.00 O ATOM 408 CB VAL A 50 0.636 -1.921 5.821 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.419 -0.899 4.716 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.045 -3.237 5.468 1.00 0.00 C ATOM 0 H VAL A 50 2.503 -3.392 4.460 1.00 0.00 H new ATOM 0 HA VAL A 50 2.570 -1.171 6.401 1.00 0.00 H new ATOM 0 HB VAL A 50 0.186 -1.547 6.740 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.650 -0.768 4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.859 0.054 5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.892 -1.249 3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.106 -3.062 5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.408 -3.651 4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.075 -3.941 6.291 1.00 0.00 H new ATOM 420 N TYR A 51 2.303 -2.698 8.415 1.00 0.00 N ATOM 421 CA TYR A 51 2.460 -3.583 9.556 1.00 0.00 C ATOM 422 C TYR A 51 1.128 -4.242 9.881 1.00 0.00 C ATOM 423 O TYR A 51 0.246 -3.627 10.481 1.00 0.00 O ATOM 424 CB TYR A 51 2.992 -2.816 10.772 1.00 0.00 C ATOM 425 CG TYR A 51 3.404 -3.712 11.926 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.640 -4.347 11.924 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.563 -3.919 13.017 1.00 0.00 C ATOM 428 CE1 TYR A 51 5.027 -5.160 12.971 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.945 -4.732 14.068 1.00 0.00 C ATOM 430 CZ TYR A 51 4.177 -5.350 14.040 1.00 0.00 C ATOM 431 OH TYR A 51 4.566 -6.157 15.086 1.00 0.00 O ATOM 0 H TYR A 51 2.163 -1.717 8.657 1.00 0.00 H new ATOM 0 HA TYR A 51 3.187 -4.355 9.303 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.849 -2.216 10.466 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.225 -2.123 11.118 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.310 -4.202 11.089 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.597 -3.437 13.042 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.992 -5.645 12.953 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.282 -4.882 14.907 1.00 0.00 H new ATOM 0 HH TYR A 51 3.854 -6.186 15.759 1.00 0.00 H new ATOM 441 N LEU A 52 0.988 -5.485 9.460 1.00 0.00 N ATOM 442 CA LEU A 52 -0.229 -6.245 9.689 1.00 0.00 C ATOM 443 C LEU A 52 -0.071 -7.069 10.961 1.00 0.00 C ATOM 444 O LEU A 52 0.930 -6.937 11.669 1.00 0.00 O ATOM 445 CB LEU A 52 -0.513 -7.158 8.491 1.00 0.00 C ATOM 446 CG LEU A 52 -1.980 -7.251 8.065 1.00 0.00 C ATOM 447 CD1 LEU A 52 -2.456 -5.924 7.492 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.169 -8.372 7.053 1.00 0.00 C ATOM 0 H LEU A 52 1.710 -5.995 8.952 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.071 -5.562 9.805 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.072 -6.806 7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.158 -8.161 8.729 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.582 -7.477 8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.501 -6.010 7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.357 -5.145 8.248 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.852 -5.665 6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.218 -8.425 6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.556 -8.175 6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.869 -9.320 7.500 1.00 0.00 H new ATOM 460 N LYS A 53 -1.039 -7.925 11.249 1.00 0.00 N ATOM 461 CA LYS A 53 -0.995 -8.742 12.455 1.00 0.00 C ATOM 462 C LYS A 53 -0.061 -9.940 12.252 1.00 0.00 C ATOM 463 O LYS A 53 -0.459 -11.096 12.415 1.00 0.00 O ATOM 464 CB LYS A 53 -2.401 -9.216 12.830 1.00 0.00 C ATOM 465 CG LYS A 53 -2.510 -9.716 14.264 1.00 0.00 C ATOM 466 CD LYS A 53 -3.848 -10.386 14.526 1.00 0.00 C ATOM 467 CE LYS A 53 -3.989 -11.667 13.721 1.00 0.00 C ATOM 468 NZ LYS A 53 -2.901 -12.631 14.031 1.00 0.00 N ATOM 0 H LYS A 53 -1.863 -8.073 10.667 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.607 -8.135 13.273 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.103 -8.395 12.685 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.700 -10.015 12.151 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.704 -10.422 14.465 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.381 -8.880 14.952 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.944 -10.609 15.589 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.657 -9.702 14.270 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.954 -12.126 13.933 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.975 -11.432 12.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.173 -13.579 13.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.027 -12.334 13.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.741 -12.655 15.058 1.00 0.00 H new ATOM 481 N ASP A 54 1.180 -9.641 11.891 1.00 0.00 N ATOM 482 CA ASP A 54 2.199 -10.658 11.643 1.00 0.00 C ATOM 483 C ASP A 54 3.555 -9.988 11.428 1.00 0.00 C ATOM 484 O ASP A 54 4.582 -10.460 11.917 1.00 0.00 O ATOM 485 CB ASP A 54 1.843 -11.521 10.415 1.00 0.00 C ATOM 486 CG ASP A 54 2.180 -10.856 9.091 1.00 0.00 C ATOM 487 OD1 ASP A 54 1.452 -9.925 8.677 1.00 0.00 O ATOM 488 OD2 ASP A 54 3.183 -11.257 8.458 1.00 0.00 O ATOM 0 H ASP A 54 1.511 -8.685 11.761 1.00 0.00 H new ATOM 0 HA ASP A 54 2.245 -11.311 12.514 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.374 -12.471 10.482 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.777 -11.749 10.437 1.00 0.00 H new ATOM 493 N GLY A 55 3.538 -8.879 10.700 1.00 0.00 N ATOM 494 CA GLY A 55 4.748 -8.149 10.411 1.00 0.00 C ATOM 495 C GLY A 55 4.535 -7.186 9.265 1.00 0.00 C ATOM 496 O GLY A 55 3.463 -6.596 9.143 1.00 0.00 O ATOM 0 H GLY A 55 2.693 -8.471 10.301 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.068 -7.601 11.297 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.548 -8.846 10.162 1.00 0.00 H new ATOM 500 N TRP A 56 5.528 -7.041 8.410 1.00 0.00 N ATOM 501 CA TRP A 56 5.416 -6.142 7.276 1.00 0.00 C ATOM 502 C TRP A 56 4.912 -6.888 6.051 1.00 0.00 C ATOM 503 O TRP A 56 5.519 -7.867 5.608 1.00 0.00 O ATOM 504 CB TRP A 56 6.760 -5.471 6.991 1.00 0.00 C ATOM 505 CG TRP A 56 7.178 -4.547 8.092 1.00 0.00 C ATOM 506 CD1 TRP A 56 8.065 -4.805 9.097 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.702 -3.217 8.307 1.00 0.00 C ATOM 508 NE1 TRP A 56 8.167 -3.712 9.924 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.342 -2.724 9.457 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.797 -2.392 7.634 1.00 0.00 C ATOM 511 CZ2 TRP A 56 7.103 -1.444 9.951 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.563 -1.126 8.124 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.213 -0.662 9.270 1.00 0.00 C ATOM 0 H TRP A 56 6.419 -7.532 8.477 1.00 0.00 H new ATOM 0 HA TRP A 56 4.692 -5.364 7.520 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.524 -6.236 6.852 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.694 -4.913 6.057 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.606 -5.731 9.224 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.761 -3.647 10.751 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.290 -2.740 6.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.602 -1.083 10.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.864 -0.480 7.613 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.008 0.337 9.626 1.00 0.00 H new ATOM 524 N HIS A 57 3.786 -6.436 5.524 1.00 0.00 N ATOM 525 CA HIS A 57 3.162 -7.076 4.376 1.00 0.00 C ATOM 526 C HIS A 57 2.934 -6.071 3.255 1.00 0.00 C ATOM 527 O HIS A 57 2.546 -4.929 3.499 1.00 0.00 O ATOM 528 CB HIS A 57 1.834 -7.723 4.779 1.00 0.00 C ATOM 529 CG HIS A 57 1.888 -9.220 4.842 1.00 0.00 C ATOM 530 ND1 HIS A 57 1.712 -9.944 6.002 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.075 -10.133 3.861 1.00 0.00 C ATOM 532 CE1 HIS A 57 1.785 -11.231 5.729 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.004 -11.374 4.439 1.00 0.00 N ATOM 0 H HIS A 57 3.282 -5.622 5.876 1.00 0.00 H new ATOM 0 HA HIS A 57 3.836 -7.852 4.014 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.533 -7.338 5.753 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.064 -7.426 4.067 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.551 -9.546 6.927 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.248 -9.923 2.816 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.682 -12.034 6.444 1.00 0.00 H new ATOM 541 N MET A 58 3.174 -6.511 2.027 1.00 0.00 N ATOM 542 CA MET A 58 3.021 -5.667 0.849 1.00 0.00 C ATOM 543 C MET A 58 1.560 -5.580 0.443 1.00 0.00 C ATOM 544 O MET A 58 0.883 -6.600 0.336 1.00 0.00 O ATOM 545 CB MET A 58 3.828 -6.240 -0.322 1.00 0.00 C ATOM 546 CG MET A 58 5.308 -6.418 -0.031 1.00 0.00 C ATOM 547 SD MET A 58 6.178 -7.268 -1.365 1.00 0.00 S ATOM 548 CE MET A 58 5.819 -6.186 -2.746 1.00 0.00 C ATOM 0 H MET A 58 3.480 -7.462 1.819 1.00 0.00 H new ATOM 0 HA MET A 58 3.389 -4.671 1.097 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.406 -7.205 -0.602 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.715 -5.581 -1.183 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.763 -5.441 0.130 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.428 -6.982 0.894 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.663 -6.183 -3.435 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.929 -6.541 -3.265 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.646 -5.174 -2.380 1.00 0.00 H new ATOM 558 N VAL A 59 1.076 -4.373 0.210 1.00 0.00 N ATOM 559 CA VAL A 59 -0.289 -4.187 -0.260 1.00 0.00 C ATOM 560 C VAL A 59 -0.357 -4.424 -1.767 1.00 0.00 C ATOM 561 O VAL A 59 0.376 -3.804 -2.539 1.00 0.00 O ATOM 562 CB VAL A 59 -0.830 -2.776 0.071 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.248 -2.595 -0.459 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.790 -2.526 1.572 1.00 0.00 C ATOM 0 H VAL A 59 1.603 -3.509 0.337 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.916 -4.912 0.259 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.187 -2.046 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.604 -1.595 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.251 -2.725 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.904 -3.336 -0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.174 -1.529 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.405 -3.268 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.238 -2.602 1.926 1.00 0.00 H new ATOM 574 N CYS A 60 -1.216 -5.341 -2.179 1.00 0.00 N ATOM 575 CA CYS A 60 -1.387 -5.634 -3.592 1.00 0.00 C ATOM 576 C CYS A 60 -2.569 -4.835 -4.127 1.00 0.00 C ATOM 577 O CYS A 60 -3.584 -4.687 -3.445 1.00 0.00 O ATOM 578 CB CYS A 60 -1.611 -7.137 -3.798 1.00 0.00 C ATOM 579 SG CYS A 60 -0.685 -7.842 -5.202 1.00 0.00 S ATOM 0 H CYS A 60 -1.805 -5.894 -1.557 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.487 -5.350 -4.137 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.326 -7.664 -2.887 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.675 -7.317 -3.951 1.00 0.00 H new ATOM 584 N SER A 61 -2.429 -4.313 -5.343 1.00 0.00 N ATOM 585 CA SER A 61 -3.443 -3.446 -5.940 1.00 0.00 C ATOM 586 C SER A 61 -4.740 -4.202 -6.225 1.00 0.00 C ATOM 587 O SER A 61 -5.764 -3.595 -6.536 1.00 0.00 O ATOM 588 CB SER A 61 -2.904 -2.829 -7.229 1.00 0.00 C ATOM 589 OG SER A 61 -1.614 -2.277 -7.024 1.00 0.00 O ATOM 0 H SER A 61 -1.617 -4.477 -5.938 1.00 0.00 H new ATOM 0 HA SER A 61 -3.671 -2.657 -5.223 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.859 -3.588 -8.010 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.585 -2.053 -7.578 1.00 0.00 H new ATOM 0 HG SER A 61 -0.936 -2.974 -7.149 1.00 0.00 H new ATOM 595 N GLN A 62 -4.695 -5.524 -6.104 1.00 0.00 N ATOM 596 CA GLN A 62 -5.871 -6.361 -6.314 1.00 0.00 C ATOM 597 C GLN A 62 -6.697 -6.422 -5.028 1.00 0.00 C ATOM 598 O GLN A 62 -7.150 -7.484 -4.608 1.00 0.00 O ATOM 599 CB GLN A 62 -5.440 -7.771 -6.735 1.00 0.00 C ATOM 600 CG GLN A 62 -6.559 -8.612 -7.331 1.00 0.00 C ATOM 601 CD GLN A 62 -7.013 -8.091 -8.680 1.00 0.00 C ATOM 602 OE1 GLN A 62 -7.914 -7.260 -8.770 1.00 0.00 O ATOM 603 NE2 GLN A 62 -6.396 -8.586 -9.742 1.00 0.00 N ATOM 0 H GLN A 62 -3.851 -6.042 -5.860 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.482 -5.930 -7.107 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.634 -7.690 -7.464 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.034 -8.289 -5.866 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.219 -9.642 -7.437 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.406 -8.625 -6.645 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.653 -9.274 -9.625 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.664 -8.279 -10.677 1.00 0.00 H new ATOM 612 N SER A 63 -6.880 -5.273 -4.403 1.00 0.00 N ATOM 613 CA SER A 63 -7.598 -5.195 -3.148 1.00 0.00 C ATOM 614 C SER A 63 -8.778 -4.234 -3.260 1.00 0.00 C ATOM 615 O SER A 63 -8.783 -3.347 -4.113 1.00 0.00 O ATOM 616 CB SER A 63 -6.656 -4.733 -2.033 1.00 0.00 C ATOM 617 OG SER A 63 -5.606 -5.665 -1.829 1.00 0.00 O ATOM 0 H SER A 63 -6.538 -4.376 -4.749 1.00 0.00 H new ATOM 0 HA SER A 63 -7.980 -6.187 -2.908 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.237 -3.759 -2.287 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.218 -4.606 -1.108 1.00 0.00 H new ATOM 0 HG SER A 63 -4.835 -5.415 -2.380 1.00 0.00 H new ATOM 623 N TRP A 64 -9.774 -4.437 -2.401 1.00 0.00 N ATOM 624 CA TRP A 64 -10.945 -3.556 -2.307 1.00 0.00 C ATOM 625 C TRP A 64 -11.721 -3.491 -3.623 1.00 0.00 C ATOM 626 O TRP A 64 -12.494 -2.557 -3.851 1.00 0.00 O ATOM 627 CB TRP A 64 -10.526 -2.144 -1.873 1.00 0.00 C ATOM 628 CG TRP A 64 -9.713 -2.124 -0.614 1.00 0.00 C ATOM 629 CD1 TRP A 64 -10.135 -2.448 0.643 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.338 -1.754 -0.492 1.00 0.00 C ATOM 631 NE1 TRP A 64 -9.105 -2.300 1.538 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.991 -1.877 0.864 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.364 -1.332 -1.402 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.714 -1.593 1.332 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -6.097 -1.051 -0.935 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.783 -1.182 0.420 1.00 0.00 C ATOM 0 H TRP A 64 -9.796 -5.219 -1.746 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.607 -3.982 -1.552 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.951 -1.681 -2.675 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.419 -1.536 -1.729 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.133 -2.773 0.896 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -9.160 -2.476 2.541 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.599 -1.228 -2.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.466 -1.693 2.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.336 -0.725 -1.628 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.782 -0.953 0.754 1.00 0.00 H new ATOM 647 N GLY A 65 -11.512 -4.481 -4.483 1.00 0.00 N ATOM 648 CA GLY A 65 -12.213 -4.528 -5.750 1.00 0.00 C ATOM 649 C GLY A 65 -11.665 -3.538 -6.759 1.00 0.00 C ATOM 650 O GLY A 65 -12.350 -3.174 -7.716 1.00 0.00 O ATOM 0 H GLY A 65 -10.867 -5.255 -4.323 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.145 -5.535 -6.161 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.270 -4.323 -5.583 1.00 0.00 H new ATOM 654 N ARG A 66 -10.429 -3.101 -6.559 1.00 0.00 N ATOM 655 CA ARG A 66 -9.805 -2.152 -7.468 1.00 0.00 C ATOM 656 C ARG A 66 -9.082 -2.876 -8.597 1.00 0.00 C ATOM 657 O ARG A 66 -8.565 -3.979 -8.419 1.00 0.00 O ATOM 658 CB ARG A 66 -8.829 -1.239 -6.720 1.00 0.00 C ATOM 659 CG ARG A 66 -9.484 -0.373 -5.651 1.00 0.00 C ATOM 660 CD ARG A 66 -10.626 0.462 -6.220 1.00 0.00 C ATOM 661 NE ARG A 66 -11.150 1.422 -5.248 1.00 0.00 N ATOM 662 CZ ARG A 66 -12.277 1.245 -4.565 1.00 0.00 C ATOM 663 NH1 ARG A 66 -12.981 0.129 -4.708 1.00 0.00 N ATOM 664 NH2 ARG A 66 -12.714 2.190 -3.755 1.00 0.00 N ATOM 0 H ARG A 66 -9.841 -3.388 -5.777 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.595 -1.537 -7.899 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.059 -1.853 -6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.328 -0.592 -7.440 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.862 -1.008 -4.850 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.737 0.286 -5.209 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.277 0.997 -7.103 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.430 -0.199 -6.544 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.619 2.278 -5.085 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.658 -0.599 -5.345 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.845 -0.000 -4.181 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.187 3.057 -3.652 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.579 2.053 -3.231 1.00 0.00 H new ATOM 677 N SER A 67 -9.076 -2.249 -9.762 1.00 0.00 N ATOM 678 CA SER A 67 -8.420 -2.799 -10.934 1.00 0.00 C ATOM 679 C SER A 67 -6.955 -2.377 -10.970 1.00 0.00 C ATOM 680 O SER A 67 -6.515 -1.551 -10.168 1.00 0.00 O ATOM 681 CB SER A 67 -9.135 -2.310 -12.189 1.00 0.00 C ATOM 682 OG SER A 67 -10.528 -2.566 -12.113 1.00 0.00 O ATOM 0 H SER A 67 -9.525 -1.347 -9.920 1.00 0.00 H new ATOM 0 HA SER A 67 -8.464 -3.887 -10.890 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.965 -1.241 -12.316 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.718 -2.805 -13.066 1.00 0.00 H new ATOM 0 HG SER A 67 -10.965 -2.242 -12.928 1.00 0.00 H new ATOM 688 N SER A 68 -6.211 -2.933 -11.917 1.00 0.00 N ATOM 689 CA SER A 68 -4.791 -2.642 -12.053 1.00 0.00 C ATOM 690 C SER A 68 -4.580 -1.299 -12.759 1.00 0.00 C ATOM 691 O SER A 68 -3.877 -1.211 -13.762 1.00 0.00 O ATOM 692 CB SER A 68 -4.104 -3.781 -12.820 1.00 0.00 C ATOM 693 OG SER A 68 -2.696 -3.609 -12.873 1.00 0.00 O ATOM 0 H SER A 68 -6.571 -3.593 -12.607 1.00 0.00 H new ATOM 0 HA SER A 68 -4.345 -2.568 -11.061 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.336 -4.733 -12.342 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.502 -3.828 -13.833 1.00 0.00 H new ATOM 0 HG SER A 68 -2.486 -2.771 -13.335 1.00 0.00 H new ATOM 699 N LYS A 69 -5.197 -0.254 -12.216 1.00 0.00 N ATOM 700 CA LYS A 69 -5.103 1.098 -12.758 1.00 0.00 C ATOM 701 C LYS A 69 -5.168 2.104 -11.613 1.00 0.00 C ATOM 702 O LYS A 69 -5.503 1.740 -10.487 1.00 0.00 O ATOM 703 CB LYS A 69 -6.243 1.356 -13.756 1.00 0.00 C ATOM 704 CG LYS A 69 -6.097 0.622 -15.089 1.00 0.00 C ATOM 705 CD LYS A 69 -5.331 1.443 -16.127 1.00 0.00 C ATOM 706 CE LYS A 69 -3.862 1.631 -15.771 1.00 0.00 C ATOM 707 NZ LYS A 69 -3.106 0.349 -15.785 1.00 0.00 N ATOM 0 H LYS A 69 -5.780 -0.322 -11.382 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.156 1.208 -13.285 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.186 1.062 -13.295 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.304 2.427 -13.950 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.581 -0.324 -14.925 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.086 0.382 -15.478 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.404 0.951 -17.097 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.802 2.420 -16.229 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.406 2.326 -16.476 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.786 2.084 -14.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.120 0.531 -16.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.128 -0.077 -14.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.542 -0.303 -16.468 1.00 0.00 H new ATOM 720 N GLN A 70 -4.844 3.360 -11.893 1.00 0.00 N ATOM 721 CA GLN A 70 -4.843 4.391 -10.859 1.00 0.00 C ATOM 722 C GLN A 70 -6.210 5.064 -10.779 1.00 0.00 C ATOM 723 O GLN A 70 -6.753 5.500 -11.795 1.00 0.00 O ATOM 724 CB GLN A 70 -3.763 5.441 -11.142 1.00 0.00 C ATOM 725 CG GLN A 70 -2.354 4.877 -11.206 1.00 0.00 C ATOM 726 CD GLN A 70 -1.305 5.958 -11.367 1.00 0.00 C ATOM 727 OE1 GLN A 70 -0.949 6.338 -12.483 1.00 0.00 O ATOM 728 NE2 GLN A 70 -0.806 6.466 -10.252 1.00 0.00 N ATOM 0 H GLN A 70 -4.580 3.690 -12.821 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.625 3.913 -9.904 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -3.989 5.934 -12.087 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.802 6.206 -10.366 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.151 4.310 -10.297 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.283 4.179 -12.040 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.128 6.123 -9.347 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.099 7.200 -10.298 1.00 0.00 H new ATOM 737 N TRP A 71 -6.767 5.138 -9.575 1.00 0.00 N ATOM 738 CA TRP A 71 -8.064 5.769 -9.373 1.00 0.00 C ATOM 739 C TRP A 71 -7.892 7.227 -8.952 1.00 0.00 C ATOM 740 O TRP A 71 -6.787 7.666 -8.629 1.00 0.00 O ATOM 741 CB TRP A 71 -8.896 4.989 -8.343 1.00 0.00 C ATOM 742 CG TRP A 71 -8.177 4.683 -7.063 1.00 0.00 C ATOM 743 CD1 TRP A 71 -8.157 5.445 -5.931 1.00 0.00 C ATOM 744 CD2 TRP A 71 -7.382 3.522 -6.778 1.00 0.00 C ATOM 745 NE1 TRP A 71 -7.402 4.828 -4.960 1.00 0.00 N ATOM 746 CE2 TRP A 71 -6.915 3.648 -5.456 1.00 0.00 C ATOM 747 CE3 TRP A 71 -7.021 2.390 -7.512 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -6.107 2.683 -4.856 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -6.220 1.435 -6.915 1.00 0.00 C ATOM 750 CH2 TRP A 71 -5.772 1.586 -5.601 1.00 0.00 C ATOM 0 H TRP A 71 -6.340 4.769 -8.725 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.605 5.753 -10.319 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -9.794 5.562 -8.112 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.223 4.052 -8.794 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -8.660 6.394 -5.814 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -7.232 5.191 -4.022 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.362 2.263 -8.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.758 2.798 -3.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.935 0.556 -7.475 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -5.148 0.821 -5.164 1.00 0.00 H new ATOM 761 N GLU A 72 -8.997 7.963 -8.936 1.00 0.00 N ATOM 762 CA GLU A 72 -8.959 9.417 -8.810 1.00 0.00 C ATOM 763 C GLU A 72 -8.873 9.898 -7.364 1.00 0.00 C ATOM 764 O GLU A 72 -9.632 10.778 -6.961 1.00 0.00 O ATOM 765 CB GLU A 72 -10.194 10.030 -9.472 1.00 0.00 C ATOM 766 CG GLU A 72 -10.191 9.928 -10.982 1.00 0.00 C ATOM 767 CD GLU A 72 -11.455 10.484 -11.596 1.00 0.00 C ATOM 768 OE1 GLU A 72 -11.758 11.673 -11.367 1.00 0.00 O ATOM 769 OE2 GLU A 72 -12.148 9.734 -12.319 1.00 0.00 O ATOM 0 H GLU A 72 -9.937 7.574 -9.009 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.049 9.745 -9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.085 9.536 -9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.264 11.080 -9.188 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.330 10.466 -11.379 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.077 8.884 -11.273 1.00 0.00 H new ATOM 776 N ASP A 73 -7.954 9.335 -6.593 1.00 0.00 N ATOM 777 CA ASP A 73 -7.662 9.856 -5.260 1.00 0.00 C ATOM 778 C ASP A 73 -6.421 9.200 -4.672 1.00 0.00 C ATOM 779 O ASP A 73 -6.505 8.155 -4.027 1.00 0.00 O ATOM 780 CB ASP A 73 -8.837 9.663 -4.294 1.00 0.00 C ATOM 781 CG ASP A 73 -8.658 10.473 -3.018 1.00 0.00 C ATOM 782 OD1 ASP A 73 -7.741 10.169 -2.233 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.440 11.422 -2.792 1.00 0.00 O ATOM 0 H ASP A 73 -7.399 8.523 -6.863 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.486 10.925 -5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.764 9.959 -4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.932 8.606 -4.044 1.00 0.00 H new ATOM 788 N PRO A 74 -5.242 9.785 -4.914 1.00 0.00 N ATOM 789 CA PRO A 74 -4.016 9.385 -4.241 1.00 0.00 C ATOM 790 C PRO A 74 -3.887 10.075 -2.884 1.00 0.00 C ATOM 791 O PRO A 74 -3.048 9.710 -2.060 1.00 0.00 O ATOM 792 CB PRO A 74 -2.902 9.856 -5.190 1.00 0.00 C ATOM 793 CG PRO A 74 -3.581 10.565 -6.323 1.00 0.00 C ATOM 794 CD PRO A 74 -4.990 10.852 -5.883 1.00 0.00 C ATOM 0 HA PRO A 74 -3.981 8.314 -4.042 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.209 10.522 -4.675 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.320 9.010 -5.555 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.058 11.489 -6.568 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.576 9.948 -7.222 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.081 11.840 -5.432 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.691 10.817 -6.717 1.00 0.00 H new ATOM 802 N SER A 75 -4.751 11.062 -2.663 1.00 0.00 N ATOM 803 CA SER A 75 -4.707 11.906 -1.476 1.00 0.00 C ATOM 804 C SER A 75 -4.979 11.110 -0.199 1.00 0.00 C ATOM 805 O SER A 75 -4.549 11.504 0.885 1.00 0.00 O ATOM 806 CB SER A 75 -5.726 13.035 -1.619 1.00 0.00 C ATOM 807 OG SER A 75 -5.615 13.656 -2.892 1.00 0.00 O ATOM 0 H SER A 75 -5.505 11.299 -3.307 1.00 0.00 H new ATOM 0 HA SER A 75 -3.702 12.320 -1.392 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.734 12.640 -1.488 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.569 13.774 -0.834 1.00 0.00 H new ATOM 0 HG SER A 75 -6.277 14.375 -2.964 1.00 0.00 H new ATOM 813 N GLN A 76 -5.693 9.995 -0.329 1.00 0.00 N ATOM 814 CA GLN A 76 -5.963 9.108 0.802 1.00 0.00 C ATOM 815 C GLN A 76 -4.672 8.635 1.477 1.00 0.00 C ATOM 816 O GLN A 76 -4.667 8.292 2.659 1.00 0.00 O ATOM 817 CB GLN A 76 -6.769 7.889 0.345 1.00 0.00 C ATOM 818 CG GLN A 76 -8.228 8.188 0.044 1.00 0.00 C ATOM 819 CD GLN A 76 -8.974 8.702 1.257 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.041 9.907 1.496 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.544 7.793 2.029 1.00 0.00 N ATOM 0 H GLN A 76 -6.098 9.682 -1.211 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.539 9.681 1.528 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.303 7.472 -0.548 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.718 7.122 1.118 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.287 8.927 -0.755 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.714 7.283 -0.321 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.465 6.803 1.795 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.063 8.081 2.858 1.00 0.00 H new ATOM 830 N ALA A 77 -3.577 8.640 0.731 1.00 0.00 N ATOM 831 CA ALA A 77 -2.311 8.131 1.238 1.00 0.00 C ATOM 832 C ALA A 77 -1.496 9.222 1.926 1.00 0.00 C ATOM 833 O ALA A 77 -0.347 8.998 2.311 1.00 0.00 O ATOM 834 CB ALA A 77 -1.510 7.504 0.112 1.00 0.00 C ATOM 0 H ALA A 77 -3.539 8.990 -0.226 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.536 7.370 1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.565 7.127 0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.077 6.681 -0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.312 8.253 -0.655 1.00 0.00 H new ATOM 840 N SER A 78 -2.095 10.394 2.095 1.00 0.00 N ATOM 841 CA SER A 78 -1.420 11.515 2.742 1.00 0.00 C ATOM 842 C SER A 78 -1.004 11.160 4.168 1.00 0.00 C ATOM 843 O SER A 78 0.042 11.596 4.646 1.00 0.00 O ATOM 844 CB SER A 78 -2.330 12.744 2.745 1.00 0.00 C ATOM 845 OG SER A 78 -3.618 12.419 3.238 1.00 0.00 O ATOM 0 H SER A 78 -3.048 10.594 1.793 1.00 0.00 H new ATOM 0 HA SER A 78 -0.517 11.741 2.175 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.888 13.527 3.361 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.413 13.142 1.734 1.00 0.00 H new ATOM 0 HG SER A 78 -4.187 12.124 2.497 1.00 0.00 H new ATOM 851 N LYS A 79 -1.826 10.357 4.839 1.00 0.00 N ATOM 852 CA LYS A 79 -1.529 9.918 6.196 1.00 0.00 C ATOM 853 C LYS A 79 -0.262 9.067 6.222 1.00 0.00 C ATOM 854 O LYS A 79 0.557 9.188 7.133 1.00 0.00 O ATOM 855 CB LYS A 79 -2.703 9.123 6.767 1.00 0.00 C ATOM 856 CG LYS A 79 -4.030 9.875 6.796 1.00 0.00 C ATOM 857 CD LYS A 79 -4.082 10.938 7.890 1.00 0.00 C ATOM 858 CE LYS A 79 -3.365 12.217 7.488 1.00 0.00 C ATOM 859 NZ LYS A 79 -3.957 12.821 6.264 1.00 0.00 N ATOM 0 H LYS A 79 -2.703 9.998 4.463 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.367 10.802 6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.829 8.214 6.178 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.455 8.813 7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.196 10.348 5.828 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.842 9.164 6.947 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.122 11.165 8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.631 10.542 8.800 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.414 12.934 8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.310 12.003 7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.808 13.850 6.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.501 12.416 5.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.977 12.620 6.236 1.00 0.00 H new ATOM 872 N VAL A 80 -0.101 8.224 5.206 1.00 0.00 N ATOM 873 CA VAL A 80 1.081 7.381 5.086 1.00 0.00 C ATOM 874 C VAL A 80 2.311 8.239 4.828 1.00 0.00 C ATOM 875 O VAL A 80 3.320 8.121 5.524 1.00 0.00 O ATOM 876 CB VAL A 80 0.929 6.344 3.949 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.219 5.555 3.760 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.237 5.401 4.232 1.00 0.00 C ATOM 0 H VAL A 80 -0.778 8.108 4.452 1.00 0.00 H new ATOM 0 HA VAL A 80 1.197 6.842 6.026 1.00 0.00 H new ATOM 0 HB VAL A 80 0.719 6.883 3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.088 4.832 2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.029 6.238 3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.463 5.030 4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.327 4.679 3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.059 4.873 5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.160 5.976 4.310 1.00 0.00 H new ATOM 888 N CYS A 81 2.206 9.123 3.842 1.00 0.00 N ATOM 889 CA CYS A 81 3.291 10.041 3.513 1.00 0.00 C ATOM 890 C CYS A 81 3.691 10.864 4.737 1.00 0.00 C ATOM 891 O CYS A 81 4.876 11.099 4.983 1.00 0.00 O ATOM 892 CB CYS A 81 2.866 10.967 2.371 1.00 0.00 C ATOM 893 SG CYS A 81 2.488 10.107 0.806 1.00 0.00 S ATOM 0 H CYS A 81 1.378 9.224 3.255 1.00 0.00 H new ATOM 0 HA CYS A 81 4.154 9.457 3.195 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.987 11.530 2.684 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.661 11.691 2.191 1.00 0.00 H new ATOM 898 N GLN A 82 2.690 11.279 5.513 1.00 0.00 N ATOM 899 CA GLN A 82 2.911 12.058 6.725 1.00 0.00 C ATOM 900 C GLN A 82 3.765 11.275 7.718 1.00 0.00 C ATOM 901 O GLN A 82 4.685 11.821 8.327 1.00 0.00 O ATOM 902 CB GLN A 82 1.568 12.419 7.362 1.00 0.00 C ATOM 903 CG GLN A 82 1.669 13.447 8.475 1.00 0.00 C ATOM 904 CD GLN A 82 0.355 13.651 9.204 1.00 0.00 C ATOM 905 OE1 GLN A 82 -0.416 12.586 9.351 1.00 0.00 O flip ATOM 906 NE2 GLN A 82 0.049 14.754 9.657 1.00 0.00 N flip ATOM 0 H GLN A 82 1.708 11.084 5.318 1.00 0.00 H new ATOM 0 HA GLN A 82 3.441 12.973 6.459 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.901 12.800 6.588 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.110 11.513 7.759 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.430 13.131 9.188 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.999 14.398 8.057 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.671 15.551 9.522 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.827 14.871 10.167 1.00 0.00 H new ATOM 915 N ARG A 83 3.466 9.989 7.857 1.00 0.00 N ATOM 916 CA ARG A 83 4.194 9.125 8.782 1.00 0.00 C ATOM 917 C ARG A 83 5.633 8.899 8.331 1.00 0.00 C ATOM 918 O ARG A 83 6.508 8.626 9.147 1.00 0.00 O ATOM 919 CB ARG A 83 3.468 7.786 8.946 1.00 0.00 C ATOM 920 CG ARG A 83 2.561 7.738 10.167 1.00 0.00 C ATOM 921 CD ARG A 83 3.364 7.541 11.447 1.00 0.00 C ATOM 922 NE ARG A 83 2.589 7.858 12.646 1.00 0.00 N ATOM 923 CZ ARG A 83 2.593 7.115 13.747 1.00 0.00 C ATOM 924 NH1 ARG A 83 3.207 5.940 13.753 1.00 0.00 N ATOM 925 NH2 ARG A 83 1.960 7.521 14.835 1.00 0.00 N ATOM 0 H ARG A 83 2.723 9.519 7.340 1.00 0.00 H new ATOM 0 HA ARG A 83 4.228 9.630 9.747 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.874 7.591 8.053 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.206 6.987 9.019 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.988 8.663 10.233 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.843 6.925 10.057 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.707 6.508 11.502 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.253 8.171 11.415 1.00 0.00 H new ATOM 0 HE ARG A 83 2.012 8.699 12.636 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.677 5.606 12.912 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.210 5.370 14.599 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.463 8.412 14.833 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.969 6.943 15.676 1.00 0.00 H new ATOM 938 N LEU A 84 5.875 9.022 7.035 1.00 0.00 N ATOM 939 CA LEU A 84 7.229 8.901 6.506 1.00 0.00 C ATOM 940 C LEU A 84 7.925 10.258 6.476 1.00 0.00 C ATOM 941 O LEU A 84 9.021 10.390 5.930 1.00 0.00 O ATOM 942 CB LEU A 84 7.227 8.283 5.106 1.00 0.00 C ATOM 943 CG LEU A 84 7.219 6.752 5.065 1.00 0.00 C ATOM 944 CD1 LEU A 84 5.883 6.191 5.531 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.545 6.266 3.663 1.00 0.00 C ATOM 0 H LEU A 84 5.158 9.204 6.332 1.00 0.00 H new ATOM 0 HA LEU A 84 7.781 8.238 7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.353 8.649 4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.106 8.640 4.568 1.00 0.00 H new ATOM 0 HG LEU A 84 7.984 6.390 5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.911 5.102 5.490 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.692 6.510 6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.088 6.558 4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.537 5.176 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.800 6.646 2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.532 6.626 3.373 1.00 0.00 H new ATOM 957 N ASN A 85 7.269 11.261 7.063 1.00 0.00 N ATOM 958 CA ASN A 85 7.806 12.626 7.141 1.00 0.00 C ATOM 959 C ASN A 85 7.932 13.235 5.742 1.00 0.00 C ATOM 960 O ASN A 85 8.773 14.099 5.485 1.00 0.00 O ATOM 961 CB ASN A 85 9.162 12.640 7.861 1.00 0.00 C ATOM 962 CG ASN A 85 9.604 14.036 8.279 1.00 0.00 C ATOM 963 OD1 ASN A 85 8.669 14.851 8.751 1.00 0.00 O flip ATOM 964 ND2 ASN A 85 10.789 14.366 8.211 1.00 0.00 N flip ATOM 0 H ASN A 85 6.353 11.153 7.497 1.00 0.00 H new ATOM 0 HA ASN A 85 7.109 13.233 7.719 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.104 12.004 8.745 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.918 12.207 7.206 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.480 13.713 7.842 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.079 15.293 8.523 1.00 0.00 H new ATOM 971 N CYS A 86 7.079 12.784 4.838 1.00 0.00 N ATOM 972 CA CYS A 86 7.074 13.283 3.475 1.00 0.00 C ATOM 973 C CYS A 86 5.854 14.168 3.249 1.00 0.00 C ATOM 974 O CYS A 86 4.980 14.253 4.114 1.00 0.00 O ATOM 975 CB CYS A 86 7.092 12.119 2.478 1.00 0.00 C ATOM 976 SG CYS A 86 8.585 11.076 2.581 1.00 0.00 S ATOM 0 H CYS A 86 6.377 12.068 5.026 1.00 0.00 H new ATOM 0 HA CYS A 86 7.972 13.880 3.315 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.214 11.496 2.647 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.010 12.519 1.467 1.00 0.00 H new ATOM 981 N GLY A 87 5.795 14.825 2.101 1.00 0.00 N ATOM 982 CA GLY A 87 4.697 15.729 1.826 1.00 0.00 C ATOM 983 C GLY A 87 3.486 15.024 1.248 1.00 0.00 C ATOM 984 O GLY A 87 3.118 13.936 1.690 1.00 0.00 O ATOM 0 H GLY A 87 6.487 14.749 1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.411 16.236 2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.031 16.498 1.129 1.00 0.00 H new ATOM 988 N ASP A 88 2.869 15.649 0.256 1.00 0.00 N ATOM 989 CA ASP A 88 1.673 15.103 -0.376 1.00 0.00 C ATOM 990 C ASP A 88 2.018 13.907 -1.258 1.00 0.00 C ATOM 991 O ASP A 88 3.154 13.767 -1.723 1.00 0.00 O ATOM 992 CB ASP A 88 0.971 16.171 -1.221 1.00 0.00 C ATOM 993 CG ASP A 88 0.300 17.243 -0.390 1.00 0.00 C ATOM 994 OD1 ASP A 88 1.009 18.137 0.120 1.00 0.00 O ATOM 995 OD2 ASP A 88 -0.942 17.203 -0.249 1.00 0.00 O ATOM 0 H ASP A 88 3.178 16.540 -0.132 1.00 0.00 H new ATOM 0 HA ASP A 88 1.002 14.775 0.418 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.700 16.637 -1.884 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.225 15.691 -1.854 1.00 0.00 H new ATOM 1000 N PRO A 89 1.038 13.022 -1.490 1.00 0.00 N ATOM 1001 CA PRO A 89 1.201 11.867 -2.364 1.00 0.00 C ATOM 1002 C PRO A 89 1.225 12.271 -3.833 1.00 0.00 C ATOM 1003 O PRO A 89 0.236 12.775 -4.371 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.030 10.997 -2.072 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.712 11.628 -0.904 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.309 13.069 -0.915 1.00 0.00 C ATOM 0 HA PRO A 89 2.144 11.351 -2.181 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.693 10.957 -2.936 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.262 9.971 -1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.794 11.526 -0.983 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.414 11.147 0.028 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.986 13.674 -1.518 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.307 13.497 0.088 1.00 0.00 H new ATOM 1014 N LEU A 90 2.359 12.039 -4.470 1.00 0.00 N ATOM 1015 CA LEU A 90 2.558 12.403 -5.864 1.00 0.00 C ATOM 1016 C LEU A 90 1.771 11.450 -6.753 1.00 0.00 C ATOM 1017 O LEU A 90 1.030 11.876 -7.641 1.00 0.00 O ATOM 1018 CB LEU A 90 4.059 12.353 -6.197 1.00 0.00 C ATOM 1019 CG LEU A 90 4.501 13.065 -7.483 1.00 0.00 C ATOM 1020 CD1 LEU A 90 6.006 13.282 -7.467 1.00 0.00 C ATOM 1021 CD2 LEU A 90 4.114 12.266 -8.719 1.00 0.00 C ATOM 0 H LEU A 90 3.168 11.593 -4.037 1.00 0.00 H new ATOM 0 HA LEU A 90 2.199 13.417 -6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.608 12.787 -5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.358 11.307 -6.266 1.00 0.00 H new ATOM 0 HG LEU A 90 3.992 14.028 -7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.310 13.788 -8.383 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.276 13.895 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.512 12.319 -7.399 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.441 12.797 -9.613 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.592 11.287 -8.684 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.032 12.141 -8.747 1.00 0.00 H new ATOM 1033 N SER A 91 1.921 10.161 -6.497 1.00 0.00 N ATOM 1034 CA SER A 91 1.245 9.146 -7.284 1.00 0.00 C ATOM 1035 C SER A 91 1.048 7.874 -6.467 1.00 0.00 C ATOM 1036 O SER A 91 1.895 7.510 -5.647 1.00 0.00 O ATOM 1037 CB SER A 91 2.045 8.849 -8.558 1.00 0.00 C ATOM 1038 OG SER A 91 3.388 8.497 -8.260 1.00 0.00 O ATOM 0 H SER A 91 2.507 9.793 -5.748 1.00 0.00 H new ATOM 0 HA SER A 91 0.262 9.522 -7.567 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.568 8.037 -9.107 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.033 9.724 -9.208 1.00 0.00 H new ATOM 0 HG SER A 91 3.870 8.312 -9.093 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.085 7.219 -6.679 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.383 5.956 -6.025 1.00 0.00 C ATOM 1046 C LEU A 92 -1.098 5.038 -7.006 1.00 0.00 C ATOM 1047 O LEU A 92 -1.859 5.505 -7.853 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.245 6.183 -4.772 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.622 4.915 -3.992 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -1.622 5.193 -2.501 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.993 4.404 -4.420 1.00 0.00 C ATOM 0 H LEU A 92 -0.819 7.547 -7.306 1.00 0.00 H new ATOM 0 HA LEU A 92 0.550 5.489 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.711 6.856 -4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.162 6.692 -5.070 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.879 4.149 -4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.891 4.285 -1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.629 5.518 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.346 5.976 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.239 3.505 -3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.743 5.171 -4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.978 4.170 -5.484 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.834 3.748 -6.908 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.480 2.789 -7.782 1.00 0.00 C ATOM 1065 C GLY A 93 -0.625 1.557 -7.978 1.00 0.00 C ATOM 1066 O GLY A 93 0.238 1.281 -7.153 1.00 0.00 O ATOM 0 H GLY A 93 -0.181 3.343 -6.237 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.443 2.502 -7.361 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.680 3.252 -8.748 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.841 0.788 -9.052 1.00 0.00 N ATOM 1071 CA PRO A 94 -0.013 -0.379 -9.358 1.00 0.00 C ATOM 1072 C PRO A 94 1.393 0.033 -9.782 1.00 0.00 C ATOM 1073 O PRO A 94 1.568 0.718 -10.793 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.743 -1.063 -10.523 1.00 0.00 C ATOM 1075 CG PRO A 94 -2.080 -0.403 -10.599 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.897 0.981 -10.051 1.00 0.00 C ATOM 0 HA PRO A 94 0.112 -1.030 -8.493 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.192 -0.943 -11.456 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.844 -2.134 -10.348 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.439 -0.370 -11.627 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.820 -0.956 -10.020 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.599 1.688 -10.825 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.814 1.365 -9.604 1.00 0.00 H new ATOM 1084 N PHE A 95 2.389 -0.376 -9.010 1.00 0.00 N ATOM 1085 CA PHE A 95 3.764 -0.008 -9.289 1.00 0.00 C ATOM 1086 C PHE A 95 4.680 -1.206 -9.082 1.00 0.00 C ATOM 1087 O PHE A 95 4.701 -1.793 -7.999 1.00 0.00 O ATOM 1088 CB PHE A 95 4.196 1.153 -8.387 1.00 0.00 C ATOM 1089 CG PHE A 95 5.544 1.726 -8.731 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.684 2.615 -9.784 1.00 0.00 C ATOM 1091 CD2 PHE A 95 6.669 1.378 -7.998 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.920 3.146 -10.101 1.00 0.00 C ATOM 1093 CE2 PHE A 95 7.907 1.906 -8.310 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.031 2.791 -9.364 1.00 0.00 C ATOM 0 H PHE A 95 2.268 -0.964 -8.185 1.00 0.00 H new ATOM 0 HA PHE A 95 3.837 0.313 -10.328 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.449 1.945 -8.449 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.212 0.810 -7.353 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.817 2.896 -10.364 1.00 0.00 H new ATOM 0 HD2 PHE A 95 6.576 0.686 -7.174 1.00 0.00 H new ATOM 0 HE1 PHE A 95 7.016 3.838 -10.925 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.776 1.628 -7.732 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.998 3.205 -9.611 1.00 0.00 H new ATOM 1104 N LEU A 96 5.421 -1.550 -10.134 1.00 0.00 N ATOM 1105 CA LEU A 96 6.366 -2.670 -10.125 1.00 0.00 C ATOM 1106 C LEU A 96 5.638 -4.015 -10.169 1.00 0.00 C ATOM 1107 O LEU A 96 4.768 -4.308 -9.343 1.00 0.00 O ATOM 1108 CB LEU A 96 7.301 -2.609 -8.910 1.00 0.00 C ATOM 1109 CG LEU A 96 8.522 -3.529 -8.993 1.00 0.00 C ATOM 1110 CD1 LEU A 96 9.464 -3.064 -10.090 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.249 -3.589 -7.658 1.00 0.00 C ATOM 0 H LEU A 96 5.383 -1.056 -11.026 1.00 0.00 H new ATOM 0 HA LEU A 96 6.974 -2.581 -11.025 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.645 -1.582 -8.785 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.731 -2.865 -8.017 1.00 0.00 H new ATOM 0 HG LEU A 96 8.174 -4.533 -9.235 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.326 -3.729 -10.135 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.943 -3.079 -11.047 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.799 -2.049 -9.876 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.112 -4.249 -7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.582 -2.589 -7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.574 -3.972 -6.893 1.00 0.00 H new ATOM 1123 N LYS A 97 6.006 -4.833 -11.142 1.00 0.00 N ATOM 1124 CA LYS A 97 5.400 -6.143 -11.317 1.00 0.00 C ATOM 1125 C LYS A 97 6.197 -7.186 -10.542 1.00 0.00 C ATOM 1126 O LYS A 97 6.935 -7.982 -11.122 1.00 0.00 O ATOM 1127 CB LYS A 97 5.345 -6.508 -12.804 1.00 0.00 C ATOM 1128 CG LYS A 97 4.564 -5.512 -13.652 1.00 0.00 C ATOM 1129 CD LYS A 97 4.579 -5.889 -15.125 1.00 0.00 C ATOM 1130 CE LYS A 97 5.995 -5.933 -15.679 1.00 0.00 C ATOM 1131 NZ LYS A 97 6.013 -6.268 -17.127 1.00 0.00 N ATOM 0 H LYS A 97 6.727 -4.610 -11.828 1.00 0.00 H new ATOM 0 HA LYS A 97 4.381 -6.119 -10.932 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.362 -6.580 -13.189 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.893 -7.494 -12.910 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.534 -5.464 -13.300 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.990 -4.516 -13.527 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.106 -6.862 -15.257 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.989 -5.169 -15.691 1.00 0.00 H new ATOM 0 HE2 LYS A 97 6.476 -4.967 -15.524 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.578 -6.671 -15.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 6.996 -6.288 -17.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.577 -7.201 -17.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.479 -5.550 -17.656 1.00 0.00 H new ATOM 1144 N THR A 98 6.056 -7.153 -9.226 1.00 0.00 N ATOM 1145 CA THR A 98 6.800 -8.033 -8.335 1.00 0.00 C ATOM 1146 C THR A 98 6.322 -9.485 -8.432 1.00 0.00 C ATOM 1147 O THR A 98 7.137 -10.408 -8.400 1.00 0.00 O ATOM 1148 CB THR A 98 6.647 -7.544 -6.885 1.00 0.00 C ATOM 1149 OG1 THR A 98 6.246 -6.165 -6.892 1.00 0.00 O ATOM 1150 CG2 THR A 98 7.956 -7.685 -6.119 1.00 0.00 C ATOM 0 H THR A 98 5.422 -6.515 -8.744 1.00 0.00 H new ATOM 0 HA THR A 98 7.846 -8.004 -8.639 1.00 0.00 H new ATOM 0 HB THR A 98 5.892 -8.155 -6.391 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.590 -5.720 -6.089 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.819 -7.332 -5.097 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.258 -8.732 -6.104 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.729 -7.092 -6.607 1.00 0.00 H new ATOM 1158 N TYR A 99 5.008 -9.675 -8.570 1.00 0.00 N ATOM 1159 CA TYR A 99 4.411 -11.018 -8.633 1.00 0.00 C ATOM 1160 C TYR A 99 4.919 -11.901 -7.491 1.00 0.00 C ATOM 1161 O TYR A 99 5.574 -12.921 -7.721 1.00 0.00 O ATOM 1162 CB TYR A 99 4.716 -11.699 -9.977 1.00 0.00 C ATOM 1163 CG TYR A 99 4.223 -10.949 -11.197 1.00 0.00 C ATOM 1164 CD1 TYR A 99 2.869 -10.718 -11.398 1.00 0.00 C ATOM 1165 CD2 TYR A 99 5.117 -10.477 -12.152 1.00 0.00 C ATOM 1166 CE1 TYR A 99 2.419 -10.039 -12.512 1.00 0.00 C ATOM 1167 CE2 TYR A 99 4.673 -9.798 -13.270 1.00 0.00 C ATOM 1168 CZ TYR A 99 3.324 -9.582 -13.444 1.00 0.00 C ATOM 1169 OH TYR A 99 2.880 -8.905 -14.557 1.00 0.00 O ATOM 0 H TYR A 99 4.332 -8.915 -8.641 1.00 0.00 H new ATOM 0 HA TYR A 99 3.332 -10.895 -8.535 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.794 -11.835 -10.063 1.00 0.00 H new ATOM 0 HB3 TYR A 99 4.269 -12.693 -9.974 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.156 -11.076 -10.670 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.175 -10.644 -12.017 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.362 -9.867 -12.652 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.380 -9.439 -14.003 1.00 0.00 H new ATOM 0 HH TYR A 99 2.246 -8.209 -14.285 1.00 0.00 H new ATOM 1179 N THR A 100 4.634 -11.501 -6.263 1.00 0.00 N ATOM 1180 CA THR A 100 5.110 -12.236 -5.102 1.00 0.00 C ATOM 1181 C THR A 100 3.940 -12.686 -4.228 1.00 0.00 C ATOM 1182 O THR A 100 3.535 -11.970 -3.310 1.00 0.00 O ATOM 1183 CB THR A 100 6.075 -11.375 -4.265 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.032 -10.749 -5.128 1.00 0.00 O ATOM 1185 CG2 THR A 100 6.804 -12.223 -3.229 1.00 0.00 C ATOM 0 H THR A 100 4.078 -10.675 -6.044 1.00 0.00 H new ATOM 0 HA THR A 100 5.643 -13.115 -5.464 1.00 0.00 H new ATOM 0 HB THR A 100 5.493 -10.615 -3.743 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.644 -10.200 -4.594 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.479 -11.591 -2.652 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.078 -12.684 -2.560 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.378 -13.001 -3.734 1.00 0.00 H new ATOM 1193 N PRO A 101 3.393 -13.886 -4.493 1.00 0.00 N ATOM 1194 CA PRO A 101 2.240 -14.423 -3.758 1.00 0.00 C ATOM 1195 C PRO A 101 2.623 -14.977 -2.385 1.00 0.00 C ATOM 1196 O PRO A 101 2.292 -16.110 -2.040 1.00 0.00 O ATOM 1197 CB PRO A 101 1.748 -15.543 -4.671 1.00 0.00 C ATOM 1198 CG PRO A 101 2.976 -16.031 -5.352 1.00 0.00 C ATOM 1199 CD PRO A 101 3.862 -14.826 -5.532 1.00 0.00 C ATOM 0 HA PRO A 101 1.493 -13.658 -3.548 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.267 -16.338 -4.101 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.014 -15.177 -5.389 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.474 -16.795 -4.756 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.734 -16.484 -6.314 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.914 -15.079 -5.397 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.762 -14.401 -6.531 1.00 0.00 H new ATOM 1207 N GLN A 102 3.342 -14.168 -1.621 1.00 0.00 N ATOM 1208 CA GLN A 102 3.749 -14.531 -0.272 1.00 0.00 C ATOM 1209 C GLN A 102 3.746 -13.302 0.625 1.00 0.00 C ATOM 1210 O GLN A 102 2.989 -13.222 1.590 1.00 0.00 O ATOM 1211 CB GLN A 102 5.147 -15.162 -0.260 1.00 0.00 C ATOM 1212 CG GLN A 102 5.213 -16.542 -0.888 1.00 0.00 C ATOM 1213 CD GLN A 102 6.554 -17.213 -0.670 1.00 0.00 C ATOM 1214 OE1 GLN A 102 7.471 -17.085 -1.483 1.00 0.00 O ATOM 1215 NE2 GLN A 102 6.679 -17.920 0.438 1.00 0.00 N ATOM 0 H GLN A 102 3.659 -13.245 -1.917 1.00 0.00 H new ATOM 0 HA GLN A 102 3.034 -15.264 0.102 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.836 -14.502 -0.787 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.495 -15.227 0.771 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.425 -17.167 -0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.020 -16.461 -1.958 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.893 -17.999 1.084 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.561 -18.387 0.648 1.00 0.00 H new ATOM 1224 N SER A 103 4.591 -12.339 0.284 1.00 0.00 N ATOM 1225 CA SER A 103 4.743 -11.133 1.081 1.00 0.00 C ATOM 1226 C SER A 103 3.652 -10.111 0.775 1.00 0.00 C ATOM 1227 O SER A 103 3.571 -9.077 1.432 1.00 0.00 O ATOM 1228 CB SER A 103 6.118 -10.516 0.830 1.00 0.00 C ATOM 1229 OG SER A 103 7.144 -11.452 1.104 1.00 0.00 O ATOM 0 H SER A 103 5.185 -12.372 -0.545 1.00 0.00 H new ATOM 0 HA SER A 103 4.651 -11.413 2.130 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.189 -10.184 -0.206 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.246 -9.634 1.458 1.00 0.00 H new ATOM 0 HG SER A 103 8.017 -11.039 0.936 1.00 0.00 H new ATOM 1235 N SER A 104 2.808 -10.393 -0.207 1.00 0.00 N ATOM 1236 CA SER A 104 1.751 -9.462 -0.568 1.00 0.00 C ATOM 1237 C SER A 104 0.407 -9.936 -0.017 1.00 0.00 C ATOM 1238 O SER A 104 0.190 -11.137 0.175 1.00 0.00 O ATOM 1239 CB SER A 104 1.682 -9.290 -2.090 1.00 0.00 C ATOM 1240 OG SER A 104 1.404 -10.519 -2.735 1.00 0.00 O ATOM 0 H SER A 104 2.834 -11.249 -0.762 1.00 0.00 H new ATOM 0 HA SER A 104 1.980 -8.493 -0.124 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.910 -8.562 -2.341 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.628 -8.891 -2.456 1.00 0.00 H new ATOM 0 HG SER A 104 2.219 -11.062 -2.770 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.483 -8.991 0.258 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.810 -9.308 0.769 1.00 0.00 C ATOM 1248 C ILE A 105 -2.894 -8.717 -0.119 1.00 0.00 C ATOM 1249 O ILE A 105 -2.694 -7.688 -0.771 1.00 0.00 O ATOM 1250 CB ILE A 105 -2.030 -8.790 2.209 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.644 -7.308 2.311 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.251 -9.633 3.206 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.960 -6.673 3.650 1.00 0.00 C ATOM 0 H ILE A 105 -0.308 -7.994 0.135 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.874 -10.396 0.773 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.089 -8.879 2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.576 -7.209 2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.163 -6.755 1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.419 -9.253 4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.587 -10.668 3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.188 -9.583 2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.656 -5.626 3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -3.032 -6.737 3.839 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.420 -7.198 4.438 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.035 -9.382 -0.135 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.211 -8.888 -0.830 1.00 0.00 C ATOM 1267 C ILE A 106 -6.293 -8.561 0.188 1.00 0.00 C ATOM 1268 O ILE A 106 -6.735 -9.431 0.944 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.742 -9.914 -1.862 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.838 -9.942 -3.096 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.178 -9.601 -2.261 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.184 -11.040 -4.084 1.00 0.00 C ATOM 0 H ILE A 106 -4.173 -10.278 0.332 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.932 -7.989 -1.380 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.731 -10.899 -1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.900 -8.978 -3.602 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.804 -10.068 -2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.523 -10.338 -2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.816 -9.634 -1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.224 -8.606 -2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.500 -10.996 -4.931 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.094 -12.010 -3.596 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.207 -10.904 -4.436 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.691 -7.304 0.228 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.690 -6.852 1.183 1.00 0.00 C ATOM 1286 C CYS A 107 -9.070 -6.808 0.539 1.00 0.00 C ATOM 1287 O CYS A 107 -9.216 -6.394 -0.610 1.00 0.00 O ATOM 1288 CB CYS A 107 -7.313 -5.474 1.734 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.696 -5.435 2.578 1.00 0.00 S ATOM 0 H CYS A 107 -6.338 -6.574 -0.391 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.722 -7.562 2.010 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.302 -4.756 0.914 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.084 -5.149 2.432 1.00 0.00 H new ATOM 1294 N TYR A 108 -10.079 -7.241 1.279 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.442 -7.269 0.768 1.00 0.00 C ATOM 1296 C TYR A 108 -12.308 -6.292 1.548 1.00 0.00 C ATOM 1297 O TYR A 108 -12.271 -6.280 2.780 1.00 0.00 O ATOM 1298 CB TYR A 108 -12.048 -8.668 0.894 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.219 -9.782 0.287 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.284 -10.065 -1.072 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.387 -10.565 1.080 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -10.542 -11.095 -1.622 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -9.647 -11.595 0.537 1.00 0.00 C ATOM 1304 CZ TYR A 108 -9.728 -11.857 -0.813 1.00 0.00 C ATOM 1305 OH TYR A 108 -8.998 -12.894 -1.349 1.00 0.00 O ATOM 0 H TYR A 108 -9.980 -7.578 2.237 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.409 -6.988 -0.285 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.204 -8.886 1.950 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -13.030 -8.666 0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.924 -9.472 -1.709 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.319 -10.363 2.139 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -10.601 -11.301 -2.681 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.007 -12.194 1.168 1.00 0.00 H new ATOM 0 HH TYR A 108 -8.477 -13.327 -0.641 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.091 -5.485 0.848 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.984 -4.572 1.528 1.00 0.00 C ATOM 1317 C GLY A 109 -13.801 -3.129 1.112 1.00 0.00 C ATOM 1318 O GLY A 109 -13.433 -2.840 -0.028 1.00 0.00 O ATOM 0 H GLY A 109 -13.124 -5.446 -0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -15.014 -4.871 1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.826 -4.655 2.603 1.00 0.00 H new ATOM 1322 N GLN A 110 -14.052 -2.228 2.051 1.00 0.00 N ATOM 1323 CA GLN A 110 -14.039 -0.795 1.790 1.00 0.00 C ATOM 1324 C GLN A 110 -12.611 -0.272 1.686 1.00 0.00 C ATOM 1325 O GLN A 110 -11.751 -0.623 2.501 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.775 -0.039 2.906 1.00 0.00 C ATOM 1327 CG GLN A 110 -16.266 -0.358 3.042 1.00 0.00 C ATOM 1328 CD GLN A 110 -16.549 -1.698 3.703 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -16.613 -1.795 4.928 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -16.754 -2.732 2.901 1.00 0.00 N ATOM 0 H GLN A 110 -14.271 -2.470 3.017 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.548 -0.627 0.841 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.286 -0.259 3.855 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.664 1.031 2.731 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.745 0.431 3.622 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.722 -0.348 2.052 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.692 -2.613 1.890 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.973 -3.647 3.295 1.00 0.00 H new ATOM 1339 N LEU A 111 -12.369 0.574 0.686 1.00 0.00 N ATOM 1340 CA LEU A 111 -11.055 1.169 0.476 1.00 0.00 C ATOM 1341 C LEU A 111 -10.627 1.958 1.703 1.00 0.00 C ATOM 1342 O LEU A 111 -11.315 2.888 2.121 1.00 0.00 O ATOM 1343 CB LEU A 111 -11.073 2.091 -0.748 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.778 2.882 -0.997 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.644 1.956 -1.410 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.998 3.959 -2.047 1.00 0.00 C ATOM 0 H LEU A 111 -13.072 0.863 0.006 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.341 0.364 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.287 1.490 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.895 2.798 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.496 3.366 -0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.740 2.541 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.462 1.228 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.916 1.434 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.069 4.506 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.313 3.496 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.770 4.648 -1.705 1.00 0.00 H new ATOM 1358 N GLY A 112 -9.495 1.580 2.274 1.00 0.00 N ATOM 1359 CA GLY A 112 -9.010 2.241 3.464 1.00 0.00 C ATOM 1360 C GLY A 112 -9.030 1.326 4.665 1.00 0.00 C ATOM 1361 O GLY A 112 -8.361 1.587 5.668 1.00 0.00 O ATOM 0 H GLY A 112 -8.902 0.824 1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.993 2.594 3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.623 3.119 3.667 1.00 0.00 H new ATOM 1365 N SER A 113 -9.797 0.252 4.566 1.00 0.00 N ATOM 1366 CA SER A 113 -9.885 -0.719 5.639 1.00 0.00 C ATOM 1367 C SER A 113 -8.937 -1.883 5.373 1.00 0.00 C ATOM 1368 O SER A 113 -9.077 -2.606 4.384 1.00 0.00 O ATOM 1369 CB SER A 113 -11.323 -1.223 5.788 1.00 0.00 C ATOM 1370 OG SER A 113 -11.471 -2.018 6.954 1.00 0.00 O ATOM 0 H SER A 113 -10.368 0.032 3.750 1.00 0.00 H new ATOM 0 HA SER A 113 -9.592 -0.236 6.571 1.00 0.00 H new ATOM 0 HB2 SER A 113 -12.005 -0.374 5.835 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.599 -1.806 4.910 1.00 0.00 H new ATOM 0 HG SER A 113 -12.399 -2.325 7.025 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.963 -2.042 6.254 1.00 0.00 N ATOM 1377 CA PHE A 114 -7.007 -3.138 6.170 1.00 0.00 C ATOM 1378 C PHE A 114 -7.311 -4.154 7.263 1.00 0.00 C ATOM 1379 O PHE A 114 -6.513 -5.048 7.548 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.569 -2.620 6.333 1.00 0.00 C ATOM 1381 CG PHE A 114 -5.093 -1.722 5.225 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -5.463 -0.385 5.184 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.257 -2.209 4.235 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -5.011 0.444 4.178 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.798 -1.383 3.229 1.00 0.00 C ATOM 1386 CZ PHE A 114 -4.175 -0.055 3.200 1.00 0.00 C ATOM 0 H PHE A 114 -7.811 -1.418 7.046 1.00 0.00 H new ATOM 0 HA PHE A 114 -7.096 -3.607 5.190 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.497 -2.079 7.276 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.896 -3.474 6.404 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -6.113 0.012 5.950 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.960 -3.247 4.250 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -5.311 1.481 4.156 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.144 -1.775 2.464 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.816 0.592 2.413 1.00 0.00 H new ATOM 1396 N SER A 115 -8.483 -4.008 7.872 1.00 0.00 N ATOM 1397 CA SER A 115 -8.890 -4.867 8.975 1.00 0.00 C ATOM 1398 C SER A 115 -9.417 -6.209 8.465 1.00 0.00 C ATOM 1399 O SER A 115 -9.863 -7.048 9.247 1.00 0.00 O ATOM 1400 CB SER A 115 -9.960 -4.163 9.815 1.00 0.00 C ATOM 1401 OG SER A 115 -9.503 -2.900 10.277 1.00 0.00 O ATOM 0 H SER A 115 -9.170 -3.298 7.618 1.00 0.00 H new ATOM 0 HA SER A 115 -8.016 -5.064 9.596 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.864 -4.030 9.220 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.228 -4.789 10.666 1.00 0.00 H new ATOM 0 HG SER A 115 -8.640 -3.009 10.728 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.361 -6.407 7.153 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.804 -7.654 6.543 1.00 0.00 C ATOM 1409 C ASN A 116 -8.993 -7.941 5.284 1.00 0.00 C ATOM 1410 O ASN A 116 -9.421 -7.645 4.165 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.301 -7.588 6.215 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.838 -8.887 5.637 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -11.964 -8.946 4.322 1.00 0.00 O flip ATOM 1414 ND2 ASN A 116 -12.167 -9.818 6.373 1.00 0.00 N flip ATOM 0 H ASN A 116 -9.011 -5.716 6.489 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.644 -8.466 7.252 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.856 -7.343 7.121 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.477 -6.780 5.505 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -12.054 -9.734 7.383 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -12.552 -10.673 5.972 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.808 -8.500 5.473 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.932 -8.820 4.358 1.00 0.00 C ATOM 1423 C CYS A 117 -6.500 -10.280 4.422 1.00 0.00 C ATOM 1424 O CYS A 117 -6.407 -10.862 5.504 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.705 -7.903 4.367 1.00 0.00 C ATOM 1426 SG CYS A 117 -6.103 -6.124 4.445 1.00 0.00 S ATOM 0 H CYS A 117 -7.431 -8.742 6.389 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.481 -8.661 3.430 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -5.078 -8.162 5.220 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.116 -8.093 3.470 1.00 0.00 H new ATOM 1431 N SER A 118 -6.249 -10.871 3.266 1.00 0.00 N ATOM 1432 CA SER A 118 -5.864 -12.270 3.193 1.00 0.00 C ATOM 1433 C SER A 118 -4.554 -12.435 2.431 1.00 0.00 C ATOM 1434 O SER A 118 -4.163 -11.561 1.655 1.00 0.00 O ATOM 1435 CB SER A 118 -6.967 -13.071 2.504 1.00 0.00 C ATOM 1436 OG SER A 118 -8.213 -12.886 3.153 1.00 0.00 O ATOM 0 H SER A 118 -6.305 -10.402 2.362 1.00 0.00 H new ATOM 0 HA SER A 118 -5.720 -12.642 4.207 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.047 -12.763 1.461 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.707 -14.129 2.505 1.00 0.00 H new ATOM 0 HG SER A 118 -8.866 -13.524 2.796 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.880 -13.552 2.682 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.667 -13.916 1.958 1.00 0.00 C ATOM 1444 C HIS A 119 -2.944 -13.971 0.458 1.00 0.00 C ATOM 1445 O HIS A 119 -3.918 -14.593 0.027 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.158 -15.279 2.459 1.00 0.00 C ATOM 1447 CG HIS A 119 -0.995 -15.833 1.692 1.00 0.00 C ATOM 1448 ND1 HIS A 119 0.315 -15.555 2.008 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -0.953 -16.675 0.632 1.00 0.00 C ATOM 1450 CE1 HIS A 119 1.113 -16.197 1.180 1.00 0.00 C ATOM 1451 NE2 HIS A 119 0.369 -16.886 0.334 1.00 0.00 N ATOM 0 H HIS A 119 -4.158 -14.230 3.392 1.00 0.00 H new ATOM 0 HA HIS A 119 -1.901 -13.161 2.139 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -1.872 -15.182 3.506 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.978 -15.996 2.417 1.00 0.00 H new ATOM 0 HD1 HIS A 119 0.621 -14.946 2.767 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -1.802 -17.101 0.118 1.00 0.00 H new ATOM 0 HE1 HIS A 119 2.192 -16.165 1.191 1.00 0.00 H new ATOM 1459 N SER A 120 -2.098 -13.316 -0.325 1.00 0.00 N ATOM 1460 CA SER A 120 -2.255 -13.304 -1.769 1.00 0.00 C ATOM 1461 C SER A 120 -1.864 -14.661 -2.345 1.00 0.00 C ATOM 1462 O SER A 120 -0.685 -14.977 -2.476 1.00 0.00 O ATOM 1463 CB SER A 120 -1.404 -12.191 -2.387 1.00 0.00 C ATOM 1464 OG SER A 120 -1.613 -12.092 -3.784 1.00 0.00 O ATOM 0 H SER A 120 -1.296 -12.786 0.018 1.00 0.00 H new ATOM 0 HA SER A 120 -3.300 -13.110 -2.011 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.648 -11.240 -1.913 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.350 -12.385 -2.189 1.00 0.00 H new ATOM 0 HG SER A 120 -1.057 -11.372 -4.148 1.00 0.00 H new ATOM 1470 N ARG A 121 -2.867 -15.466 -2.664 1.00 0.00 N ATOM 1471 CA ARG A 121 -2.645 -16.796 -3.216 1.00 0.00 C ATOM 1472 C ARG A 121 -2.664 -16.732 -4.744 1.00 0.00 C ATOM 1473 O ARG A 121 -2.977 -17.708 -5.425 1.00 0.00 O ATOM 1474 CB ARG A 121 -3.723 -17.752 -2.687 1.00 0.00 C ATOM 1475 CG ARG A 121 -3.478 -19.232 -2.977 1.00 0.00 C ATOM 1476 CD ARG A 121 -2.208 -19.755 -2.319 1.00 0.00 C ATOM 1477 NE ARG A 121 -0.995 -19.327 -3.019 1.00 0.00 N ATOM 1478 CZ ARG A 121 0.183 -19.176 -2.426 1.00 0.00 C ATOM 1479 NH1 ARG A 121 0.301 -19.393 -1.126 1.00 0.00 N ATOM 1480 NH2 ARG A 121 1.244 -18.819 -3.127 1.00 0.00 N ATOM 0 H ARG A 121 -3.850 -15.219 -2.549 1.00 0.00 H new ATOM 0 HA ARG A 121 -1.669 -17.169 -2.906 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.807 -17.618 -1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.682 -17.467 -3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.331 -19.813 -2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -3.412 -19.381 -4.055 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.169 -19.408 -1.286 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.241 -20.844 -2.289 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.059 -19.134 -4.019 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -0.513 -19.676 -0.580 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.206 -19.277 -0.670 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.161 -18.657 -4.131 1.00 0.00 H new ATOM 0 HH22 ARG A 121 2.146 -18.705 -2.665 1.00 0.00 H new ATOM 1493 N ASN A 122 -2.312 -15.572 -5.274 1.00 0.00 N ATOM 1494 CA ASN A 122 -2.375 -15.334 -6.705 1.00 0.00 C ATOM 1495 C ASN A 122 -1.095 -14.659 -7.185 1.00 0.00 C ATOM 1496 O ASN A 122 -0.764 -13.553 -6.757 1.00 0.00 O ATOM 1497 CB ASN A 122 -3.596 -14.473 -7.031 1.00 0.00 C ATOM 1498 CG ASN A 122 -3.817 -14.302 -8.518 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -3.373 -13.324 -9.116 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -4.491 -15.265 -9.125 1.00 0.00 N ATOM 0 H ASN A 122 -1.978 -14.777 -4.730 1.00 0.00 H new ATOM 0 HA ASN A 122 -2.471 -16.288 -7.223 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -4.482 -14.926 -6.587 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -3.475 -13.492 -6.572 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -4.660 -15.214 -10.130 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.841 -16.059 -8.588 1.00 0.00 H new ATOM 1507 N ASP A 123 -0.371 -15.352 -8.061 1.00 0.00 N ATOM 1508 CA ASP A 123 0.922 -14.880 -8.558 1.00 0.00 C ATOM 1509 C ASP A 123 0.779 -13.616 -9.392 1.00 0.00 C ATOM 1510 O ASP A 123 1.583 -12.694 -9.277 1.00 0.00 O ATOM 1511 CB ASP A 123 1.601 -15.955 -9.416 1.00 0.00 C ATOM 1512 CG ASP A 123 1.890 -17.235 -8.660 1.00 0.00 C ATOM 1513 OD1 ASP A 123 0.956 -18.044 -8.475 1.00 0.00 O ATOM 1514 OD2 ASP A 123 3.058 -17.452 -8.280 1.00 0.00 O ATOM 0 H ASP A 123 -0.661 -16.251 -8.445 1.00 0.00 H new ATOM 0 HA ASP A 123 1.532 -14.661 -7.682 1.00 0.00 H new ATOM 0 HB2 ASP A 123 0.964 -16.183 -10.271 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.535 -15.557 -9.812 1.00 0.00 H new ATOM 1519 N MET A 124 -0.248 -13.579 -10.230 1.00 0.00 N ATOM 1520 CA MET A 124 -0.417 -12.488 -11.185 1.00 0.00 C ATOM 1521 C MET A 124 -1.082 -11.271 -10.538 1.00 0.00 C ATOM 1522 O MET A 124 -2.119 -10.787 -10.996 1.00 0.00 O ATOM 1523 CB MET A 124 -1.205 -12.962 -12.421 1.00 0.00 C ATOM 1524 CG MET A 124 -2.584 -13.531 -12.115 1.00 0.00 C ATOM 1525 SD MET A 124 -3.446 -14.097 -13.595 1.00 0.00 S ATOM 1526 CE MET A 124 -2.376 -15.430 -14.141 1.00 0.00 C ATOM 0 H MET A 124 -0.977 -14.291 -10.269 1.00 0.00 H new ATOM 0 HA MET A 124 0.575 -12.178 -11.513 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.317 -12.123 -13.108 1.00 0.00 H new ATOM 0 HB3 MET A 124 -0.620 -13.722 -12.939 1.00 0.00 H new ATOM 0 HG2 MET A 124 -2.483 -14.363 -11.418 1.00 0.00 H new ATOM 0 HG3 MET A 124 -3.185 -12.769 -11.618 1.00 0.00 H new ATOM 0 HE1 MET A 124 -2.919 -16.072 -14.834 1.00 0.00 H new ATOM 0 HE2 MET A 124 -1.502 -15.013 -14.642 1.00 0.00 H new ATOM 0 HE3 MET A 124 -2.055 -16.015 -13.279 1.00 0.00 H new ATOM 1536 N CYS A 125 -0.470 -10.772 -9.476 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.959 -9.582 -8.795 1.00 0.00 C ATOM 1538 C CYS A 125 0.105 -8.488 -8.843 1.00 0.00 C ATOM 1539 O CYS A 125 1.305 -8.768 -8.763 1.00 0.00 O ATOM 1540 CB CYS A 125 -1.330 -9.906 -7.341 1.00 0.00 C ATOM 1541 SG CYS A 125 -2.131 -8.529 -6.451 1.00 0.00 S ATOM 0 H CYS A 125 0.372 -11.175 -9.064 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.856 -9.228 -9.303 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.997 -10.768 -7.331 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -0.427 -10.196 -6.803 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.335 -7.245 -8.995 1.00 0.00 N ATOM 1547 CA HIS A 126 0.579 -6.110 -9.053 1.00 0.00 C ATOM 1548 C HIS A 126 0.616 -5.406 -7.707 1.00 0.00 C ATOM 1549 O HIS A 126 -0.418 -5.239 -7.061 1.00 0.00 O ATOM 1550 CB HIS A 126 0.158 -5.133 -10.158 1.00 0.00 C ATOM 1551 CG HIS A 126 0.270 -5.713 -11.536 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -0.638 -5.461 -12.545 1.00 0.00 N ATOM 1553 CD2 HIS A 126 1.197 -6.546 -12.067 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -0.277 -6.116 -13.631 1.00 0.00 C ATOM 1555 NE2 HIS A 126 0.835 -6.782 -13.369 1.00 0.00 N ATOM 0 H HIS A 126 -1.321 -6.997 -9.080 1.00 0.00 H new ATOM 0 HA HIS A 126 1.578 -6.477 -9.287 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.872 -4.821 -9.985 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.776 -4.237 -10.097 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -1.459 -4.862 -12.463 1.00 0.00 H new ATOM 0 HD2 HIS A 126 2.061 -6.949 -11.559 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -0.801 -6.110 -14.575 1.00 0.00 H new ATOM 1563 N SER A 127 1.808 -5.012 -7.285 1.00 0.00 N ATOM 1564 CA SER A 127 1.991 -4.392 -5.984 1.00 0.00 C ATOM 1565 C SER A 127 1.601 -2.919 -6.027 1.00 0.00 C ATOM 1566 O SER A 127 1.776 -2.249 -7.047 1.00 0.00 O ATOM 1567 CB SER A 127 3.445 -4.548 -5.542 1.00 0.00 C ATOM 1568 OG SER A 127 3.831 -5.916 -5.565 1.00 0.00 O ATOM 0 H SER A 127 2.666 -5.112 -7.828 1.00 0.00 H new ATOM 0 HA SER A 127 1.343 -4.889 -5.263 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.095 -3.970 -6.199 1.00 0.00 H new ATOM 0 HB3 SER A 127 3.570 -4.146 -4.537 1.00 0.00 H new ATOM 0 HG SER A 127 4.708 -6.001 -5.994 1.00 0.00 H new ATOM 1574 N LEU A 128 1.065 -2.422 -4.922 1.00 0.00 N ATOM 1575 CA LEU A 128 0.644 -1.035 -4.846 1.00 0.00 C ATOM 1576 C LEU A 128 1.834 -0.150 -4.490 1.00 0.00 C ATOM 1577 O LEU A 128 2.473 -0.329 -3.449 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.494 -0.875 -3.825 1.00 0.00 C ATOM 1579 CG LEU A 128 -1.249 0.460 -3.870 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.657 0.282 -3.330 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -0.515 1.527 -3.070 1.00 0.00 C ATOM 0 H LEU A 128 0.912 -2.959 -4.068 1.00 0.00 H new ATOM 0 HA LEU A 128 0.264 -0.723 -5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.211 -1.682 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.080 -1.003 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.303 0.787 -4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.184 1.235 -3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -3.190 -0.450 -3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.610 -0.067 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -1.070 2.464 -3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -0.429 1.208 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.481 1.674 -3.488 1.00 0.00 H new ATOM 1593 N GLY A 129 2.133 0.787 -5.373 1.00 0.00 N ATOM 1594 CA GLY A 129 3.245 1.682 -5.167 1.00 0.00 C ATOM 1595 C GLY A 129 2.786 3.072 -4.802 1.00 0.00 C ATOM 1596 O GLY A 129 1.738 3.531 -5.265 1.00 0.00 O ATOM 0 H GLY A 129 1.617 0.943 -6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.884 1.291 -4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.849 1.725 -6.073 1.00 0.00 H new ATOM 1600 N LEU A 130 3.564 3.737 -3.971 1.00 0.00 N ATOM 1601 CA LEU A 130 3.242 5.078 -3.527 1.00 0.00 C ATOM 1602 C LEU A 130 4.479 5.964 -3.606 1.00 0.00 C ATOM 1603 O LEU A 130 5.560 5.584 -3.149 1.00 0.00 O ATOM 1604 CB LEU A 130 2.711 5.043 -2.091 1.00 0.00 C ATOM 1605 CG LEU A 130 2.409 6.407 -1.463 1.00 0.00 C ATOM 1606 CD1 LEU A 130 1.338 7.149 -2.252 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.978 6.231 -0.015 1.00 0.00 C ATOM 0 H LEU A 130 4.433 3.365 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 130 2.470 5.490 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.799 4.446 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.441 4.529 -1.465 1.00 0.00 H new ATOM 0 HG LEU A 130 3.319 7.006 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 130 1.144 8.114 -1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.682 7.305 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.421 6.560 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.766 7.206 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.081 5.612 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.778 5.748 0.546 1.00 0.00 H new ATOM 1619 N THR A 131 4.320 7.123 -4.219 1.00 0.00 N ATOM 1620 CA THR A 131 5.378 8.115 -4.283 1.00 0.00 C ATOM 1621 C THR A 131 4.963 9.363 -3.520 1.00 0.00 C ATOM 1622 O THR A 131 4.018 10.046 -3.910 1.00 0.00 O ATOM 1623 CB THR A 131 5.699 8.495 -5.745 1.00 0.00 C ATOM 1624 OG1 THR A 131 6.090 7.327 -6.481 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.799 9.551 -5.814 1.00 0.00 C ATOM 0 H THR A 131 3.457 7.403 -4.685 1.00 0.00 H new ATOM 0 HA THR A 131 6.271 7.683 -3.832 1.00 0.00 H new ATOM 0 HB THR A 131 4.798 8.917 -6.191 1.00 0.00 H new ATOM 0 HG1 THR A 131 6.290 7.576 -7.407 1.00 0.00 H new ATOM 0 HG21 THR A 131 7.002 9.797 -6.856 1.00 0.00 H new ATOM 0 HG22 THR A 131 6.476 10.448 -5.286 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.706 9.163 -5.350 1.00 0.00 H new ATOM 1633 N CYS A 132 5.645 9.648 -2.424 1.00 0.00 N ATOM 1634 CA CYS A 132 5.350 10.839 -1.645 1.00 0.00 C ATOM 1635 C CYS A 132 6.377 11.923 -1.952 1.00 0.00 C ATOM 1636 O CYS A 132 7.527 11.620 -2.270 1.00 0.00 O ATOM 1637 CB CYS A 132 5.349 10.518 -0.149 1.00 0.00 C ATOM 1638 SG CYS A 132 4.222 9.165 0.326 1.00 0.00 S ATOM 0 H CYS A 132 6.403 9.074 -2.054 1.00 0.00 H new ATOM 0 HA CYS A 132 4.358 11.199 -1.917 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.362 10.255 0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 132 5.073 11.416 0.403 1.00 0.00 H new ATOM 1643 N LEU A 133 5.956 13.182 -1.886 1.00 0.00 N ATOM 1644 CA LEU A 133 6.855 14.297 -2.151 1.00 0.00 C ATOM 1645 C LEU A 133 7.895 14.437 -1.045 1.00 0.00 C ATOM 1646 O LEU A 133 7.634 15.056 -0.010 1.00 0.00 O ATOM 1647 CB LEU A 133 6.074 15.606 -2.293 1.00 0.00 C ATOM 1648 CG LEU A 133 5.220 15.727 -3.557 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.430 17.024 -3.545 1.00 0.00 C ATOM 1650 CD2 LEU A 133 6.090 15.661 -4.801 1.00 0.00 C ATOM 0 H LEU A 133 5.001 13.454 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 133 7.368 14.088 -3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.425 15.718 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.781 16.435 -2.272 1.00 0.00 H new ATOM 0 HG LEU A 133 4.522 14.890 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.829 17.092 -4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.776 17.043 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.118 17.869 -3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.463 15.749 -5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.812 16.478 -4.784 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.620 14.709 -4.824 1.00 0.00 H new ATOM 1662 N GLU A 134 9.059 13.844 -1.259 1.00 0.00 N ATOM 1663 CA GLU A 134 10.171 13.987 -0.334 1.00 0.00 C ATOM 1664 C GLU A 134 11.131 15.074 -0.829 1.00 0.00 C ATOM 1665 O GLU A 134 12.081 14.756 -1.576 1.00 0.00 O ATOM 1666 CB GLU A 134 10.905 12.648 -0.134 1.00 0.00 C ATOM 1667 CG GLU A 134 11.266 11.924 -1.424 1.00 0.00 C ATOM 1668 CD GLU A 134 12.295 10.835 -1.202 1.00 0.00 C ATOM 1669 OE1 GLU A 134 13.474 11.168 -0.969 1.00 0.00 O ATOM 1670 OE2 GLU A 134 11.934 9.641 -1.246 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.911 16.252 -0.488 1.00 0.00 O ATOM 0 H GLU A 134 9.258 13.257 -2.069 1.00 0.00 H new ATOM 0 HA GLU A 134 9.776 14.289 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.818 12.830 0.433 1.00 0.00 H new ATOM 0 HB3 GLU A 134 10.279 11.993 0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.366 11.488 -1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.651 12.643 -2.146 1.00 0.00 H new