USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=35 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 120 SER OG : rot -161:sc= 0.46 USER MOD Set 1.2: A 122 ASN : amide:sc= 0 X(o=0.46,f=0.46) USER MOD Set 2.1: A 27 SER OG : rot -5:sc= 0.337 USER MOD Set 2.2: A 113 SER OG : rot -108:sc= 1.9 USER MOD Set 2.3: A 115 SER OG : rot 180:sc= 1.04 USER MOD Set 3.1: A 38 THR OG1 : rot 68:sc= -0.936 USER MOD Set 3.2: A 40 SER OG : rot -107:sc= 1.49 USER MOD Set 3.3: A 47 GLN : amide:sc= 1.44 K(o=2.9,f=-11!) USER MOD Set 3.4: A 98 THR OG1 : rot -80:sc= 0.949 USER MOD Set 4.1: A 29 TYR OH : rot -172:sc= 0.307 USER MOD Set 4.2: A 76 GLN :FLIP amide:sc= 0.212 F(o=-1,f=0.52) USER MOD Set 5.1: A 57 HIS :FLIP no HD1:sc= -0.283 F(o=-1.6,f=-0.13) USER MOD Set 5.2: A 103 SER OG : rot -42:sc= 0.156 USER MOD Set 6.1: A 41 ASN : amide:sc= -0.0979 X(o=0.56,f=0.42) USER MOD Set 6.2: A 45 GLN : amide:sc= 0.66 K(o=0.56,f=-0.16) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot -164:sc= 0.762 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 162:sc= -0.217 (180deg=-0.775) USER MOD Single : A 61 SER OG : rot 104:sc= -0.108 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.745 F(o=-2.7!,f=-0.75) USER MOD Single : A 63 SER OG : rot -0:sc= 1.11 USER MOD Single : A 67 SER OG : rot 180:sc= 0.00847 USER MOD Single : A 68 SER OG : rot 57:sc= 0.0507 USER MOD Single : A 69 LYS NZ :NH3+ -167:sc= 0.039 (180deg=-0.0193) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0576 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -171:sc= 0.319 (180deg=0.272) USER MOD Single : A 82 GLN : amide:sc= 0.13 X(o=0.13,f=-0.048) USER MOD Single : A 85 ASN :FLIP amide:sc= -0.0163 F(o=-1.1,f=-0.016) USER MOD Single : A 91 SER OG : rot 180:sc=-0.00401 USER MOD Single : A 97 LYS NZ :NH3+ -164:sc= -0.0484 (180deg=-0.342) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 150:sc= -0.132 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 ASN : amide:sc= 0.0341 X(o=0.034,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -0.0474 X(o=-0.047,f=0) USER MOD Single : A 124 MET CE :methyl -131:sc= -0.134 (180deg=-0.646) USER MOD Single : A 126 HIS :FLIP no HE2:sc= 0.108 F(o=-0.48,f=0.11) USER MOD Single : A 127 SER OG : rot -120:sc= 0 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -7.428 -1.552 10.577 1.00 0.00 N ATOM 24 CA LEU A 26 -6.084 -1.029 10.398 1.00 0.00 C ATOM 25 C LEU A 26 -6.085 0.033 9.310 1.00 0.00 C ATOM 26 O LEU A 26 -5.580 -0.184 8.210 1.00 0.00 O ATOM 27 CB LEU A 26 -5.098 -2.148 10.046 1.00 0.00 C ATOM 28 CG LEU A 26 -4.795 -3.145 11.166 1.00 0.00 C ATOM 29 CD1 LEU A 26 -3.796 -4.183 10.687 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.263 -2.438 12.404 1.00 0.00 C ATOM 0 HA LEU A 26 -5.762 -0.581 11.338 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.492 -2.699 9.192 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.160 -1.693 9.727 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.727 -3.643 11.435 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.588 -4.887 11.493 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.210 -4.720 9.834 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.871 -3.688 10.390 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.057 -3.173 13.182 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.344 -1.908 12.153 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.006 -1.727 12.764 1.00 0.00 H new ATOM 42 N SER A 27 -6.670 1.176 9.616 1.00 0.00 N ATOM 43 CA SER A 27 -6.746 2.258 8.654 1.00 0.00 C ATOM 44 C SER A 27 -5.474 3.085 8.711 1.00 0.00 C ATOM 45 O SER A 27 -4.932 3.322 9.791 1.00 0.00 O ATOM 46 CB SER A 27 -7.960 3.143 8.940 1.00 0.00 C ATOM 47 OG SER A 27 -9.157 2.383 8.973 1.00 0.00 O ATOM 0 H SER A 27 -7.098 1.378 10.520 1.00 0.00 H new ATOM 0 HA SER A 27 -6.854 1.834 7.656 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.824 3.653 9.894 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.038 3.915 8.174 1.00 0.00 H new ATOM 0 HG SER A 27 -8.962 1.455 8.725 1.00 0.00 H new ATOM 53 N TRP A 28 -5.004 3.542 7.556 1.00 0.00 N ATOM 54 CA TRP A 28 -3.771 4.319 7.500 1.00 0.00 C ATOM 55 C TRP A 28 -3.977 5.753 7.997 1.00 0.00 C ATOM 56 O TRP A 28 -3.215 6.659 7.663 1.00 0.00 O ATOM 57 CB TRP A 28 -3.163 4.302 6.089 1.00 0.00 C ATOM 58 CG TRP A 28 -4.075 4.758 4.984 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.051 5.712 5.047 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.063 4.289 3.630 1.00 0.00 C ATOM 61 NE1 TRP A 28 -5.656 5.848 3.823 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.067 4.989 2.937 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.305 3.339 2.938 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.328 4.775 1.587 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.566 3.128 1.597 1.00 0.00 C ATOM 66 CH2 TRP A 28 -4.571 3.841 0.935 1.00 0.00 C ATOM 0 H TRP A 28 -5.453 3.390 6.653 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.061 3.842 8.175 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.275 4.934 6.088 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.832 3.287 5.867 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.309 6.277 5.931 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -6.422 6.487 3.609 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.530 2.781 3.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.101 5.327 1.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.984 2.400 1.051 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.753 3.650 -0.112 1.00 0.00 H new ATOM 77 N TYR A 29 -5.020 5.943 8.790 1.00 0.00 N ATOM 78 CA TYR A 29 -5.263 7.201 9.472 1.00 0.00 C ATOM 79 C TYR A 29 -5.007 7.046 10.964 1.00 0.00 C ATOM 80 O TYR A 29 -4.797 8.033 11.670 1.00 0.00 O ATOM 81 CB TYR A 29 -6.702 7.674 9.260 1.00 0.00 C ATOM 82 CG TYR A 29 -6.974 8.250 7.890 1.00 0.00 C ATOM 83 CD1 TYR A 29 -6.658 9.573 7.602 1.00 0.00 C ATOM 84 CD2 TYR A 29 -7.556 7.484 6.889 1.00 0.00 C ATOM 85 CE1 TYR A 29 -6.913 10.112 6.359 1.00 0.00 C ATOM 86 CE2 TYR A 29 -7.817 8.018 5.643 1.00 0.00 C ATOM 87 CZ TYR A 29 -7.492 9.331 5.384 1.00 0.00 C ATOM 88 OH TYR A 29 -7.757 9.871 4.147 1.00 0.00 O ATOM 0 H TYR A 29 -5.722 5.227 8.978 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.582 7.943 9.054 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.376 6.834 9.428 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.938 8.428 10.011 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.205 10.189 8.365 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.809 6.453 7.088 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.660 11.141 6.151 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.273 7.410 4.876 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.273 9.231 3.614 1.00 0.00 H new ATOM 98 N ASP A 30 -5.011 5.801 11.436 1.00 0.00 N ATOM 99 CA ASP A 30 -4.935 5.527 12.866 1.00 0.00 C ATOM 100 C ASP A 30 -3.522 5.744 13.399 1.00 0.00 C ATOM 101 O ASP A 30 -2.551 5.596 12.656 1.00 0.00 O ATOM 102 CB ASP A 30 -5.399 4.099 13.180 1.00 0.00 C ATOM 103 CG ASP A 30 -6.848 3.846 12.795 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.695 4.740 13.013 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.146 2.748 12.277 1.00 0.00 O ATOM 0 H ASP A 30 -5.066 4.969 10.849 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.603 6.229 13.365 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.760 3.391 12.652 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.274 3.908 14.246 1.00 0.00 H new ATOM 110 N PRO A 31 -3.390 6.102 14.687 1.00 0.00 N ATOM 111 CA PRO A 31 -2.090 6.413 15.298 1.00 0.00 C ATOM 112 C PRO A 31 -1.092 5.261 15.192 1.00 0.00 C ATOM 113 O PRO A 31 0.027 5.439 14.702 1.00 0.00 O ATOM 114 CB PRO A 31 -2.436 6.679 16.768 1.00 0.00 C ATOM 115 CG PRO A 31 -3.884 7.013 16.774 1.00 0.00 C ATOM 116 CD PRO A 31 -4.497 6.237 15.646 1.00 0.00 C ATOM 0 HA PRO A 31 -1.606 7.251 14.797 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.231 5.804 17.385 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.841 7.499 17.170 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.342 6.744 17.726 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.037 8.084 16.638 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.862 5.265 15.978 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.345 6.764 15.209 1.00 0.00 H new ATOM 124 N ASP A 32 -1.515 4.076 15.618 1.00 0.00 N ATOM 125 CA ASP A 32 -0.614 2.928 15.717 1.00 0.00 C ATOM 126 C ASP A 32 -0.488 2.183 14.396 1.00 0.00 C ATOM 127 O ASP A 32 -0.052 1.031 14.367 1.00 0.00 O ATOM 128 CB ASP A 32 -1.081 1.956 16.806 1.00 0.00 C ATOM 129 CG ASP A 32 -0.918 2.517 18.201 1.00 0.00 C ATOM 130 OD1 ASP A 32 0.193 2.415 18.761 1.00 0.00 O ATOM 131 OD2 ASP A 32 -1.902 3.056 18.749 1.00 0.00 O ATOM 0 H ASP A 32 -2.476 3.883 15.901 1.00 0.00 H new ATOM 0 HA ASP A 32 0.367 3.325 15.980 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.129 1.707 16.639 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.516 1.027 16.724 1.00 0.00 H new ATOM 136 N PHE A 33 -0.868 2.828 13.304 1.00 0.00 N ATOM 137 CA PHE A 33 -0.704 2.229 11.993 1.00 0.00 C ATOM 138 C PHE A 33 0.689 2.534 11.459 1.00 0.00 C ATOM 139 O PHE A 33 1.075 3.697 11.329 1.00 0.00 O ATOM 140 CB PHE A 33 -1.762 2.739 11.011 1.00 0.00 C ATOM 141 CG PHE A 33 -1.656 2.110 9.651 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.228 0.873 9.397 1.00 0.00 C ATOM 143 CD2 PHE A 33 -0.982 2.755 8.626 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.130 0.295 8.147 1.00 0.00 C ATOM 145 CE2 PHE A 33 -0.881 2.180 7.375 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.455 0.950 7.135 1.00 0.00 C ATOM 0 H PHE A 33 -1.288 3.757 13.301 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.830 1.151 12.094 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.753 2.542 11.420 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.667 3.820 10.913 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.756 0.356 10.185 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.530 3.719 8.808 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.581 -0.669 7.960 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.353 2.693 6.585 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.377 0.499 6.157 1.00 0.00 H new ATOM 156 N GLN A 34 1.439 1.488 11.154 1.00 0.00 N ATOM 157 CA GLN A 34 2.781 1.644 10.617 1.00 0.00 C ATOM 158 C GLN A 34 2.852 1.112 9.193 1.00 0.00 C ATOM 159 O GLN A 34 2.299 0.054 8.883 1.00 0.00 O ATOM 160 CB GLN A 34 3.807 0.922 11.494 1.00 0.00 C ATOM 161 CG GLN A 34 3.988 1.548 12.861 1.00 0.00 C ATOM 162 CD GLN A 34 5.119 0.915 13.646 1.00 0.00 C ATOM 163 OE1 GLN A 34 4.921 -0.062 14.370 1.00 0.00 O ATOM 164 NE2 GLN A 34 6.315 1.467 13.512 1.00 0.00 N ATOM 0 H GLN A 34 1.141 0.519 11.269 1.00 0.00 H new ATOM 0 HA GLN A 34 3.017 2.708 10.609 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.499 -0.116 11.618 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.768 0.911 10.979 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.183 2.614 12.745 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.061 1.453 13.426 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.438 2.276 12.902 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.113 1.084 14.018 1.00 0.00 H new ATOM 173 N ALA A 35 3.533 1.851 8.331 1.00 0.00 N ATOM 174 CA ALA A 35 3.717 1.447 6.948 1.00 0.00 C ATOM 175 C ALA A 35 5.093 1.873 6.461 1.00 0.00 C ATOM 176 O ALA A 35 5.643 2.866 6.934 1.00 0.00 O ATOM 177 CB ALA A 35 2.628 2.042 6.066 1.00 0.00 C ATOM 0 H ALA A 35 3.970 2.741 8.569 1.00 0.00 H new ATOM 0 HA ALA A 35 3.645 0.361 6.888 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.783 1.728 5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.653 1.695 6.408 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.667 3.130 6.124 1.00 0.00 H new ATOM 183 N ARG A 36 5.646 1.122 5.524 1.00 0.00 N ATOM 184 CA ARG A 36 6.974 1.408 5.017 1.00 0.00 C ATOM 185 C ARG A 36 6.997 1.331 3.501 1.00 0.00 C ATOM 186 O ARG A 36 6.324 0.496 2.894 1.00 0.00 O ATOM 187 CB ARG A 36 8.013 0.434 5.596 1.00 0.00 C ATOM 188 CG ARG A 36 7.815 -1.018 5.170 1.00 0.00 C ATOM 189 CD ARG A 36 8.996 -1.888 5.576 1.00 0.00 C ATOM 190 NE ARG A 36 8.824 -3.283 5.165 1.00 0.00 N ATOM 191 CZ ARG A 36 9.518 -4.299 5.673 1.00 0.00 C ATOM 192 NH1 ARG A 36 10.477 -4.075 6.559 1.00 0.00 N ATOM 193 NH2 ARG A 36 9.274 -5.537 5.276 1.00 0.00 N ATOM 0 H ARG A 36 5.195 0.311 5.100 1.00 0.00 H new ATOM 0 HA ARG A 36 7.232 2.420 5.330 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.008 0.758 5.291 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.980 0.489 6.684 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.903 -1.409 5.621 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.682 -1.066 4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.908 -1.490 5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.123 -1.843 6.658 1.00 0.00 H new ATOM 0 HE ARG A 36 8.130 -3.489 4.446 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.686 -3.121 6.854 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.006 -4.856 6.946 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.552 -5.716 4.578 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.808 -6.313 5.668 1.00 0.00 H new ATOM 206 N LEU A 37 7.754 2.226 2.902 1.00 0.00 N ATOM 207 CA LEU A 37 8.017 2.180 1.479 1.00 0.00 C ATOM 208 C LEU A 37 9.403 1.597 1.264 1.00 0.00 C ATOM 209 O LEU A 37 10.375 2.064 1.859 1.00 0.00 O ATOM 210 CB LEU A 37 7.919 3.582 0.879 1.00 0.00 C ATOM 211 CG LEU A 37 6.531 4.220 0.963 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.590 5.693 0.602 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.558 3.499 0.049 1.00 0.00 C ATOM 0 H LEU A 37 8.203 3.004 3.386 1.00 0.00 H new ATOM 0 HA LEU A 37 7.277 1.553 0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.633 4.230 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.220 3.536 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 37 6.181 4.130 1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.591 6.124 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.256 6.210 1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.965 5.804 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.576 3.966 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.913 3.559 -0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.485 2.453 0.348 1.00 0.00 H new ATOM 225 N THR A 38 9.476 0.556 0.452 1.00 0.00 N ATOM 226 CA THR A 38 10.724 -0.157 0.220 1.00 0.00 C ATOM 227 C THR A 38 11.769 0.744 -0.431 1.00 0.00 C ATOM 228 O THR A 38 11.429 1.736 -1.083 1.00 0.00 O ATOM 229 CB THR A 38 10.483 -1.388 -0.672 1.00 0.00 C ATOM 230 OG1 THR A 38 9.793 -0.994 -1.865 1.00 0.00 O ATOM 231 CG2 THR A 38 9.669 -2.442 0.072 1.00 0.00 C ATOM 0 H THR A 38 8.679 0.182 -0.063 1.00 0.00 H new ATOM 0 HA THR A 38 11.101 -0.479 1.191 1.00 0.00 H new ATOM 0 HB THR A 38 11.448 -1.820 -0.936 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.384 -0.441 -2.417 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.510 -3.304 -0.576 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.209 -2.755 0.965 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.705 -2.021 0.359 1.00 0.00 H new ATOM 239 N ARG A 39 13.043 0.398 -0.253 1.00 0.00 N ATOM 240 CA ARG A 39 14.138 1.176 -0.827 1.00 0.00 C ATOM 241 C ARG A 39 14.237 0.975 -2.342 1.00 0.00 C ATOM 242 O ARG A 39 15.283 0.596 -2.868 1.00 0.00 O ATOM 243 CB ARG A 39 15.479 0.837 -0.154 1.00 0.00 C ATOM 244 CG ARG A 39 15.837 -0.646 -0.155 1.00 0.00 C ATOM 245 CD ARG A 39 17.287 -0.868 -0.568 1.00 0.00 C ATOM 246 NE ARG A 39 17.493 -0.547 -1.981 1.00 0.00 N ATOM 247 CZ ARG A 39 18.682 -0.394 -2.558 1.00 0.00 C ATOM 248 NH1 ARG A 39 19.786 -0.461 -1.833 1.00 0.00 N ATOM 249 NH2 ARG A 39 18.767 -0.158 -3.859 1.00 0.00 N ATOM 0 H ARG A 39 13.342 -0.416 0.284 1.00 0.00 H new ATOM 0 HA ARG A 39 13.916 2.226 -0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 39 16.272 1.388 -0.658 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.452 1.189 0.877 1.00 0.00 H new ATOM 0 HG2 ARG A 39 15.672 -1.062 0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 39 15.177 -1.181 -0.838 1.00 0.00 H new ATOM 0 HD2 ARG A 39 17.941 -0.250 0.047 1.00 0.00 H new ATOM 0 HD3 ARG A 39 17.565 -1.906 -0.384 1.00 0.00 H new ATOM 0 HE ARG A 39 16.665 -0.432 -2.566 1.00 0.00 H new ATOM 0 HH11 ARG A 39 19.727 -0.630 -0.829 1.00 0.00 H new ATOM 0 HH12 ARG A 39 20.696 -0.343 -2.278 1.00 0.00 H new ATOM 0 HH21 ARG A 39 17.919 -0.093 -4.422 1.00 0.00 H new ATOM 0 HH22 ARG A 39 19.680 -0.041 -4.298 1.00 0.00 H new ATOM 262 N SER A 40 13.143 1.244 -3.032 1.00 0.00 N ATOM 263 CA SER A 40 13.097 1.152 -4.480 1.00 0.00 C ATOM 264 C SER A 40 14.081 2.147 -5.091 1.00 0.00 C ATOM 265 O SER A 40 14.964 1.773 -5.865 1.00 0.00 O ATOM 266 CB SER A 40 11.670 1.436 -4.947 1.00 0.00 C ATOM 267 OG SER A 40 10.735 0.761 -4.121 1.00 0.00 O ATOM 0 H SER A 40 12.263 1.532 -2.605 1.00 0.00 H new ATOM 0 HA SER A 40 13.383 0.151 -4.804 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.479 2.509 -4.921 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.549 1.115 -5.982 1.00 0.00 H new ATOM 0 HG SER A 40 10.346 0.009 -4.614 1.00 0.00 H new ATOM 273 N ASN A 41 13.922 3.414 -4.717 1.00 0.00 N ATOM 274 CA ASN A 41 14.842 4.471 -5.129 1.00 0.00 C ATOM 275 C ASN A 41 14.971 5.483 -3.999 1.00 0.00 C ATOM 276 O ASN A 41 15.905 5.431 -3.197 1.00 0.00 O ATOM 277 CB ASN A 41 14.357 5.181 -6.403 1.00 0.00 C ATOM 278 CG ASN A 41 14.209 4.251 -7.593 1.00 0.00 C ATOM 279 OD1 ASN A 41 13.128 3.711 -7.839 1.00 0.00 O ATOM 280 ND2 ASN A 41 15.284 4.065 -8.341 1.00 0.00 N ATOM 0 H ASN A 41 13.157 3.736 -4.124 1.00 0.00 H new ATOM 0 HA ASN A 41 15.809 4.018 -5.349 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.397 5.657 -6.202 1.00 0.00 H new ATOM 0 HB3 ASN A 41 15.059 5.975 -6.657 1.00 0.00 H new ATOM 0 HD21 ASN A 41 15.238 3.455 -9.157 1.00 0.00 H new ATOM 0 HD22 ASN A 41 16.159 4.531 -8.102 1.00 0.00 H new ATOM 287 N SER A 42 14.003 6.382 -3.920 1.00 0.00 N ATOM 288 CA SER A 42 13.914 7.310 -2.813 1.00 0.00 C ATOM 289 C SER A 42 12.920 6.747 -1.804 1.00 0.00 C ATOM 290 O SER A 42 12.043 5.967 -2.172 1.00 0.00 O ATOM 291 CB SER A 42 13.479 8.696 -3.302 1.00 0.00 C ATOM 292 OG SER A 42 13.661 9.673 -2.293 1.00 0.00 O ATOM 0 H SER A 42 13.265 6.486 -4.616 1.00 0.00 H new ATOM 0 HA SER A 42 14.890 7.429 -2.342 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.055 8.970 -4.186 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.431 8.667 -3.600 1.00 0.00 H new ATOM 0 HG SER A 42 13.155 10.480 -2.524 1.00 0.00 H new ATOM 298 N LYS A 43 13.041 7.138 -0.546 1.00 0.00 N ATOM 299 CA LYS A 43 12.270 6.500 0.516 1.00 0.00 C ATOM 300 C LYS A 43 10.986 7.263 0.835 1.00 0.00 C ATOM 301 O LYS A 43 10.466 7.190 1.948 1.00 0.00 O ATOM 302 CB LYS A 43 13.117 6.262 1.785 1.00 0.00 C ATOM 303 CG LYS A 43 14.108 7.368 2.146 1.00 0.00 C ATOM 304 CD LYS A 43 15.336 7.363 1.235 1.00 0.00 C ATOM 305 CE LYS A 43 16.008 5.997 1.186 1.00 0.00 C ATOM 306 NZ LYS A 43 17.154 5.973 0.236 1.00 0.00 N ATOM 0 H LYS A 43 13.659 7.887 -0.234 1.00 0.00 H new ATOM 0 HA LYS A 43 11.975 5.521 0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.441 6.118 2.628 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.671 5.332 1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.611 8.336 2.077 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.425 7.245 3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.041 7.658 0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.051 8.106 1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.358 5.729 2.183 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.277 5.244 0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 17.583 5.026 0.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.817 6.203 -0.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.864 6.673 0.531 1.00 0.00 H new ATOM 319 N CYS A 44 10.479 7.990 -0.150 1.00 0.00 N ATOM 320 CA CYS A 44 9.133 8.546 -0.083 1.00 0.00 C ATOM 321 C CYS A 44 8.314 8.008 -1.246 1.00 0.00 C ATOM 322 O CYS A 44 7.255 8.536 -1.585 1.00 0.00 O ATOM 323 CB CYS A 44 9.151 10.077 -0.111 1.00 0.00 C ATOM 324 SG CYS A 44 9.812 10.848 1.403 1.00 0.00 S ATOM 0 H CYS A 44 10.982 8.210 -1.010 1.00 0.00 H new ATOM 0 HA CYS A 44 8.681 8.244 0.862 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.747 10.406 -0.962 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.135 10.438 -0.275 1.00 0.00 H new ATOM 329 N GLN A 45 8.826 6.944 -1.856 1.00 0.00 N ATOM 330 CA GLN A 45 8.163 6.296 -2.973 1.00 0.00 C ATOM 331 C GLN A 45 8.624 4.848 -3.071 1.00 0.00 C ATOM 332 O GLN A 45 9.762 4.533 -2.728 1.00 0.00 O ATOM 333 CB GLN A 45 8.447 7.055 -4.280 1.00 0.00 C ATOM 334 CG GLN A 45 9.925 7.293 -4.568 1.00 0.00 C ATOM 335 CD GLN A 45 10.516 6.298 -5.551 1.00 0.00 C ATOM 336 OE1 GLN A 45 10.509 6.523 -6.762 1.00 0.00 O ATOM 337 NE2 GLN A 45 11.033 5.194 -5.044 1.00 0.00 N ATOM 0 H GLN A 45 9.710 6.511 -1.588 1.00 0.00 H new ATOM 0 HA GLN A 45 7.086 6.308 -2.808 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.014 6.497 -5.110 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.938 8.018 -4.243 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.053 8.301 -4.962 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.482 7.243 -3.633 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.021 5.042 -4.036 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.444 4.493 -5.661 1.00 0.00 H new ATOM 346 N GLY A 46 7.742 3.970 -3.504 1.00 0.00 N ATOM 347 CA GLY A 46 8.124 2.585 -3.689 1.00 0.00 C ATOM 348 C GLY A 46 7.023 1.630 -3.292 1.00 0.00 C ATOM 349 O GLY A 46 5.892 2.058 -3.054 1.00 0.00 O ATOM 0 H GLY A 46 6.771 4.185 -3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.387 2.419 -4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.016 2.374 -3.099 1.00 0.00 H new ATOM 353 N GLN A 47 7.351 0.343 -3.229 1.00 0.00 N ATOM 354 CA GLN A 47 6.392 -0.680 -2.836 1.00 0.00 C ATOM 355 C GLN A 47 5.905 -0.435 -1.414 1.00 0.00 C ATOM 356 O GLN A 47 6.694 -0.098 -0.525 1.00 0.00 O ATOM 357 CB GLN A 47 6.998 -2.087 -2.945 1.00 0.00 C ATOM 358 CG GLN A 47 7.145 -2.612 -4.371 1.00 0.00 C ATOM 359 CD GLN A 47 8.410 -2.150 -5.081 1.00 0.00 C ATOM 360 OE1 GLN A 47 8.929 -1.061 -4.845 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.921 -2.993 -5.960 1.00 0.00 N ATOM 0 H GLN A 47 8.280 -0.016 -3.447 1.00 0.00 H new ATOM 0 HA GLN A 47 5.546 -0.619 -3.520 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.980 -2.082 -2.472 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.375 -2.780 -2.380 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.133 -3.702 -4.348 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.279 -2.296 -4.953 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.465 -3.889 -6.132 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.772 -2.748 -6.467 1.00 0.00 H new ATOM 370 N LEU A 48 4.610 -0.605 -1.204 1.00 0.00 N ATOM 371 CA LEU A 48 4.006 -0.321 0.085 1.00 0.00 C ATOM 372 C LEU A 48 3.870 -1.587 0.918 1.00 0.00 C ATOM 373 O LEU A 48 3.169 -2.529 0.535 1.00 0.00 O ATOM 374 CB LEU A 48 2.632 0.332 -0.102 1.00 0.00 C ATOM 375 CG LEU A 48 1.925 0.760 1.188 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.682 1.886 1.876 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.493 1.179 0.893 1.00 0.00 C ATOM 0 H LEU A 48 3.956 -0.939 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 48 4.660 0.370 0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.749 1.208 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.987 -0.366 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 48 1.905 -0.094 1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.159 2.171 2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.688 1.549 2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.741 2.746 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.004 1.480 1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.495 2.016 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.048 0.341 0.453 1.00 0.00 H new ATOM 389 N GLU A 49 4.561 -1.609 2.045 1.00 0.00 N ATOM 390 CA GLU A 49 4.390 -2.667 3.023 1.00 0.00 C ATOM 391 C GLU A 49 3.770 -2.093 4.281 1.00 0.00 C ATOM 392 O GLU A 49 4.172 -1.029 4.749 1.00 0.00 O ATOM 393 CB GLU A 49 5.716 -3.352 3.359 1.00 0.00 C ATOM 394 CG GLU A 49 6.191 -4.324 2.296 1.00 0.00 C ATOM 395 CD GLU A 49 7.415 -5.097 2.730 1.00 0.00 C ATOM 396 OE1 GLU A 49 7.278 -6.018 3.562 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.519 -4.790 2.248 1.00 0.00 O ATOM 0 H GLU A 49 5.249 -0.902 2.305 1.00 0.00 H new ATOM 0 HA GLU A 49 3.732 -3.422 2.593 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.480 -2.589 3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.609 -3.885 4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.388 -5.022 2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.416 -3.776 1.381 1.00 0.00 H new ATOM 404 N VAL A 50 2.789 -2.788 4.818 1.00 0.00 N ATOM 405 CA VAL A 50 2.080 -2.311 5.990 1.00 0.00 C ATOM 406 C VAL A 50 2.216 -3.290 7.143 1.00 0.00 C ATOM 407 O VAL A 50 2.434 -4.487 6.935 1.00 0.00 O ATOM 408 CB VAL A 50 0.586 -2.063 5.693 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.428 -0.943 4.676 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.088 -3.337 5.203 1.00 0.00 C ATOM 0 H VAL A 50 2.463 -3.687 4.462 1.00 0.00 H new ATOM 0 HA VAL A 50 2.535 -1.362 6.272 1.00 0.00 H new ATOM 0 HB VAL A 50 0.097 -1.760 6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.631 -0.779 4.476 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.868 -0.028 5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.933 -1.218 3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.140 -3.137 5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.399 -3.678 4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.006 -4.109 5.968 1.00 0.00 H new ATOM 420 N TYR A 51 2.112 -2.768 8.354 1.00 0.00 N ATOM 421 CA TYR A 51 2.218 -3.582 9.552 1.00 0.00 C ATOM 422 C TYR A 51 0.857 -4.166 9.910 1.00 0.00 C ATOM 423 O TYR A 51 -0.009 -3.471 10.444 1.00 0.00 O ATOM 424 CB TYR A 51 2.766 -2.740 10.712 1.00 0.00 C ATOM 425 CG TYR A 51 3.002 -3.519 11.990 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.189 -4.210 12.197 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.038 -3.557 12.990 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.411 -4.914 13.366 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.251 -4.259 14.158 1.00 0.00 C ATOM 430 CZ TYR A 51 3.437 -4.935 14.341 1.00 0.00 C ATOM 431 OH TYR A 51 3.654 -5.632 15.509 1.00 0.00 O ATOM 0 H TYR A 51 1.953 -1.777 8.533 1.00 0.00 H new ATOM 0 HA TYR A 51 2.908 -4.404 9.364 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.705 -2.281 10.401 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.068 -1.929 10.918 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.951 -4.197 11.432 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.107 -3.028 12.850 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.341 -5.443 13.514 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.491 -4.279 14.925 1.00 0.00 H new ATOM 0 HH TYR A 51 2.871 -5.546 16.092 1.00 0.00 H new ATOM 441 N LEU A 52 0.668 -5.437 9.589 1.00 0.00 N ATOM 442 CA LEU A 52 -0.569 -6.130 9.909 1.00 0.00 C ATOM 443 C LEU A 52 -0.471 -6.767 11.288 1.00 0.00 C ATOM 444 O LEU A 52 0.546 -6.625 11.971 1.00 0.00 O ATOM 445 CB LEU A 52 -0.875 -7.214 8.869 1.00 0.00 C ATOM 446 CG LEU A 52 -0.999 -6.738 7.423 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.172 -7.931 6.501 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.169 -5.778 7.261 1.00 0.00 C ATOM 0 H LEU A 52 1.359 -6.011 9.105 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.377 -5.398 9.901 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.089 -7.968 8.917 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.806 -7.707 9.150 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.086 -6.206 7.158 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.260 -7.585 5.471 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.307 -8.588 6.590 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.073 -8.478 6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.234 -5.455 6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.094 -6.281 7.543 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.018 -4.909 7.902 1.00 0.00 H new ATOM 460 N LYS A 53 -1.515 -7.481 11.686 1.00 0.00 N ATOM 461 CA LYS A 53 -1.534 -8.166 12.972 1.00 0.00 C ATOM 462 C LYS A 53 -0.354 -9.131 13.096 1.00 0.00 C ATOM 463 O LYS A 53 0.249 -9.262 14.164 1.00 0.00 O ATOM 464 CB LYS A 53 -2.846 -8.938 13.132 1.00 0.00 C ATOM 465 CG LYS A 53 -2.982 -9.663 14.461 1.00 0.00 C ATOM 466 CD LYS A 53 -4.186 -10.589 14.461 1.00 0.00 C ATOM 467 CE LYS A 53 -4.031 -11.696 13.429 1.00 0.00 C ATOM 468 NZ LYS A 53 -5.230 -12.572 13.373 1.00 0.00 N ATOM 0 H LYS A 53 -2.364 -7.601 11.134 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.452 -7.416 13.758 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.679 -8.244 13.022 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.928 -9.665 12.324 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.078 -10.238 14.659 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.079 -8.935 15.267 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.311 -11.027 15.451 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.089 -10.016 14.250 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.857 -11.256 12.447 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.153 -12.296 13.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.085 -13.313 12.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.382 -13.012 14.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.063 -12.004 13.119 1.00 0.00 H new ATOM 481 N ASP A 54 -0.024 -9.792 11.993 1.00 0.00 N ATOM 482 CA ASP A 54 1.016 -10.811 11.987 1.00 0.00 C ATOM 483 C ASP A 54 2.345 -10.264 11.466 1.00 0.00 C ATOM 484 O ASP A 54 3.307 -11.016 11.299 1.00 0.00 O ATOM 485 CB ASP A 54 0.577 -12.012 11.139 1.00 0.00 C ATOM 486 CG ASP A 54 0.439 -11.685 9.663 1.00 0.00 C ATOM 487 OD1 ASP A 54 0.085 -10.534 9.324 1.00 0.00 O ATOM 488 OD2 ASP A 54 0.689 -12.587 8.837 1.00 0.00 O ATOM 0 H ASP A 54 -0.465 -9.638 11.086 1.00 0.00 H new ATOM 0 HA ASP A 54 1.168 -11.130 13.018 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.301 -12.818 11.260 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.377 -12.383 11.513 1.00 0.00 H new ATOM 493 N GLY A 55 2.403 -8.963 11.210 1.00 0.00 N ATOM 494 CA GLY A 55 3.651 -8.356 10.796 1.00 0.00 C ATOM 495 C GLY A 55 3.569 -7.652 9.456 1.00 0.00 C ATOM 496 O GLY A 55 2.481 -7.438 8.920 1.00 0.00 O ATOM 0 H GLY A 55 1.613 -8.322 11.281 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.966 -7.639 11.555 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.421 -9.126 10.746 1.00 0.00 H new ATOM 500 N TRP A 56 4.730 -7.305 8.916 1.00 0.00 N ATOM 501 CA TRP A 56 4.817 -6.533 7.682 1.00 0.00 C ATOM 502 C TRP A 56 4.465 -7.383 6.462 1.00 0.00 C ATOM 503 O TRP A 56 4.925 -8.518 6.331 1.00 0.00 O ATOM 504 CB TRP A 56 6.226 -5.946 7.530 1.00 0.00 C ATOM 505 CG TRP A 56 6.576 -4.957 8.603 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.262 -5.201 9.761 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.254 -3.565 8.616 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.382 -4.042 10.490 1.00 0.00 N ATOM 509 CE2 TRP A 56 6.772 -3.025 9.808 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.580 -2.719 7.734 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.634 -1.683 10.139 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.444 -1.387 8.066 1.00 0.00 C ATOM 513 CH2 TRP A 56 5.970 -0.881 9.258 1.00 0.00 C ATOM 0 H TRP A 56 5.635 -7.549 9.319 1.00 0.00 H new ATOM 0 HA TRP A 56 4.092 -5.722 7.741 1.00 0.00 H new ATOM 0 HB2 TRP A 56 6.953 -6.758 7.542 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.307 -5.460 6.558 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.652 -6.163 10.059 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.850 -3.954 11.392 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.173 -3.100 6.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.038 -1.289 11.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.922 -0.723 7.393 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.848 0.168 9.486 1.00 0.00 H new ATOM 524 N HIS A 57 3.639 -6.829 5.580 1.00 0.00 N ATOM 525 CA HIS A 57 3.232 -7.517 4.356 1.00 0.00 C ATOM 526 C HIS A 57 3.029 -6.524 3.211 1.00 0.00 C ATOM 527 O HIS A 57 2.755 -5.344 3.441 1.00 0.00 O ATOM 528 CB HIS A 57 1.953 -8.329 4.591 1.00 0.00 C ATOM 529 CG HIS A 57 2.216 -9.691 5.162 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.791 -10.782 4.602 1.00 0.00 N flip ATOM 531 CD2 HIS A 57 1.887 -10.057 6.453 1.00 0.00 C flip ATOM 532 CE1 HIS A 57 2.799 -11.771 5.549 1.00 0.00 C flip ATOM 533 NE2 HIS A 57 2.251 -11.309 6.657 1.00 0.00 N flip ATOM 0 H HIS A 57 3.235 -5.899 5.690 1.00 0.00 H new ATOM 0 HA HIS A 57 4.032 -8.203 4.075 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.299 -7.778 5.267 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.418 -8.435 3.647 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.407 -9.419 7.181 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.191 -12.768 5.411 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.129 -11.831 7.525 1.00 0.00 H new ATOM 541 N MET A 58 3.152 -7.022 1.981 1.00 0.00 N ATOM 542 CA MET A 58 3.099 -6.182 0.784 1.00 0.00 C ATOM 543 C MET A 58 1.667 -5.998 0.301 1.00 0.00 C ATOM 544 O MET A 58 0.885 -6.944 0.288 1.00 0.00 O ATOM 545 CB MET A 58 3.925 -6.804 -0.349 1.00 0.00 C ATOM 546 CG MET A 58 5.423 -6.836 -0.094 1.00 0.00 C ATOM 547 SD MET A 58 6.331 -7.648 -1.428 1.00 0.00 S ATOM 548 CE MET A 58 5.809 -6.672 -2.838 1.00 0.00 C ATOM 0 H MET A 58 3.290 -8.014 1.786 1.00 0.00 H new ATOM 0 HA MET A 58 3.513 -5.210 1.053 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.576 -7.823 -0.518 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.737 -6.246 -1.267 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.791 -5.817 0.024 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.618 -7.356 0.844 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.503 -6.827 -3.664 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.808 -6.978 -3.142 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.798 -5.617 -2.566 1.00 0.00 H new ATOM 558 N VAL A 59 1.339 -4.783 -0.121 1.00 0.00 N ATOM 559 CA VAL A 59 0.005 -4.479 -0.625 1.00 0.00 C ATOM 560 C VAL A 59 -0.054 -4.675 -2.140 1.00 0.00 C ATOM 561 O VAL A 59 0.849 -4.253 -2.865 1.00 0.00 O ATOM 562 CB VAL A 59 -0.412 -3.028 -0.285 1.00 0.00 C ATOM 563 CG1 VAL A 59 -1.832 -2.740 -0.754 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.283 -2.766 1.208 1.00 0.00 C ATOM 0 H VAL A 59 1.980 -3.990 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.688 -5.165 -0.139 1.00 0.00 H new ATOM 0 HB VAL A 59 0.263 -2.355 -0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.097 -1.713 -0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.893 -2.876 -1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.523 -3.425 -0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.581 -1.740 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.927 -3.454 1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.752 -2.916 1.516 1.00 0.00 H new ATOM 574 N CYS A 60 -1.105 -5.332 -2.611 1.00 0.00 N ATOM 575 CA CYS A 60 -1.307 -5.528 -4.040 1.00 0.00 C ATOM 576 C CYS A 60 -2.267 -4.487 -4.609 1.00 0.00 C ATOM 577 O CYS A 60 -3.175 -4.019 -3.918 1.00 0.00 O ATOM 578 CB CYS A 60 -1.858 -6.928 -4.313 1.00 0.00 C ATOM 579 SG CYS A 60 -0.693 -8.276 -3.955 1.00 0.00 S ATOM 0 H CYS A 60 -1.832 -5.739 -2.023 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.339 -5.416 -4.529 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.758 -7.074 -3.716 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.156 -6.990 -5.360 1.00 0.00 H new ATOM 584 N SER A 61 -2.073 -4.143 -5.878 1.00 0.00 N ATOM 585 CA SER A 61 -2.932 -3.187 -6.568 1.00 0.00 C ATOM 586 C SER A 61 -4.238 -3.849 -7.012 1.00 0.00 C ATOM 587 O SER A 61 -4.686 -3.673 -8.142 1.00 0.00 O ATOM 588 CB SER A 61 -2.197 -2.617 -7.780 1.00 0.00 C ATOM 589 OG SER A 61 -0.907 -2.158 -7.419 1.00 0.00 O ATOM 0 H SER A 61 -1.320 -4.517 -6.455 1.00 0.00 H new ATOM 0 HA SER A 61 -3.176 -2.379 -5.878 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.112 -3.382 -8.552 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.773 -1.796 -8.207 1.00 0.00 H new ATOM 0 HG SER A 61 -0.234 -2.802 -7.724 1.00 0.00 H new ATOM 595 N GLN A 62 -4.824 -4.628 -6.115 1.00 0.00 N ATOM 596 CA GLN A 62 -6.087 -5.299 -6.376 1.00 0.00 C ATOM 597 C GLN A 62 -6.888 -5.350 -5.078 1.00 0.00 C ATOM 598 O GLN A 62 -7.623 -6.297 -4.808 1.00 0.00 O ATOM 599 CB GLN A 62 -5.822 -6.711 -6.916 1.00 0.00 C ATOM 600 CG GLN A 62 -7.042 -7.397 -7.523 1.00 0.00 C ATOM 601 CD GLN A 62 -7.580 -6.686 -8.756 1.00 0.00 C ATOM 602 OE1 GLN A 62 -8.550 -5.808 -8.565 1.00 0.00 O flip ATOM 603 NE2 GLN A 62 -7.144 -6.946 -9.876 1.00 0.00 N flip ATOM 0 H GLN A 62 -4.438 -4.812 -5.189 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.659 -4.754 -7.127 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.039 -6.656 -7.672 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.439 -7.330 -6.105 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.780 -8.421 -7.788 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.830 -7.454 -6.772 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.395 -7.629 -9.986 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.532 -6.478 -10.695 1.00 0.00 H new ATOM 612 N SER A 63 -6.761 -4.294 -4.285 1.00 0.00 N ATOM 613 CA SER A 63 -7.326 -4.272 -2.947 1.00 0.00 C ATOM 614 C SER A 63 -8.465 -3.255 -2.863 1.00 0.00 C ATOM 615 O SER A 63 -8.460 -2.255 -3.579 1.00 0.00 O ATOM 616 CB SER A 63 -6.224 -3.922 -1.933 1.00 0.00 C ATOM 617 OG SER A 63 -6.632 -4.195 -0.606 1.00 0.00 O ATOM 0 H SER A 63 -6.270 -3.440 -4.549 1.00 0.00 H new ATOM 0 HA SER A 63 -7.731 -5.257 -2.715 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.324 -4.492 -2.162 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.966 -2.867 -2.025 1.00 0.00 H new ATOM 0 HG SER A 63 -7.546 -4.549 -0.611 1.00 0.00 H new ATOM 623 N TRP A 64 -9.440 -3.535 -1.998 1.00 0.00 N ATOM 624 CA TRP A 64 -10.568 -2.626 -1.728 1.00 0.00 C ATOM 625 C TRP A 64 -11.396 -2.324 -2.978 1.00 0.00 C ATOM 626 O TRP A 64 -12.113 -1.322 -3.029 1.00 0.00 O ATOM 627 CB TRP A 64 -10.075 -1.302 -1.133 1.00 0.00 C ATOM 628 CG TRP A 64 -9.256 -1.449 0.113 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.670 -1.924 1.322 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.880 -1.092 0.270 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.633 -1.885 2.222 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.523 -1.378 1.599 1.00 0.00 C ATOM 633 CE3 TRP A 64 -6.914 -0.558 -0.587 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.243 -1.149 2.089 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.643 -0.331 -0.100 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.318 -0.626 1.227 1.00 0.00 C ATOM 0 H TRP A 64 -9.475 -4.401 -1.460 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.206 -3.145 -1.012 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.482 -0.779 -1.883 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.938 -0.673 -0.914 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.667 -2.279 1.540 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.681 -2.185 3.196 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.158 -0.327 -1.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.987 -1.376 3.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.888 0.081 -0.754 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.315 -0.437 1.580 1.00 0.00 H new ATOM 647 N GLY A 65 -11.305 -3.176 -3.985 1.00 0.00 N ATOM 648 CA GLY A 65 -12.039 -2.934 -5.211 1.00 0.00 C ATOM 649 C GLY A 65 -11.241 -2.116 -6.209 1.00 0.00 C ATOM 650 O GLY A 65 -11.702 -1.856 -7.320 1.00 0.00 O ATOM 0 H GLY A 65 -10.741 -4.026 -3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.312 -3.888 -5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.968 -2.414 -4.979 1.00 0.00 H new ATOM 654 N ARG A 66 -10.045 -1.696 -5.813 1.00 0.00 N ATOM 655 CA ARG A 66 -9.151 -1.002 -6.723 1.00 0.00 C ATOM 656 C ARG A 66 -8.577 -2.017 -7.701 1.00 0.00 C ATOM 657 O ARG A 66 -7.898 -2.957 -7.290 1.00 0.00 O ATOM 658 CB ARG A 66 -8.014 -0.314 -5.954 1.00 0.00 C ATOM 659 CG ARG A 66 -8.487 0.718 -4.938 1.00 0.00 C ATOM 660 CD ARG A 66 -8.581 2.118 -5.534 1.00 0.00 C ATOM 661 NE ARG A 66 -7.259 2.731 -5.709 1.00 0.00 N ATOM 662 CZ ARG A 66 -7.015 4.030 -5.527 1.00 0.00 C ATOM 663 NH1 ARG A 66 -7.998 4.838 -5.155 1.00 0.00 N ATOM 664 NH2 ARG A 66 -5.798 4.523 -5.726 1.00 0.00 N ATOM 0 H ARG A 66 -9.676 -1.825 -4.871 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.706 -0.232 -7.259 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.427 -1.074 -5.438 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.349 0.172 -6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.463 0.424 -4.552 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.801 0.732 -4.091 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.088 2.068 -6.498 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.190 2.748 -4.885 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.483 2.130 -5.985 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.936 4.466 -5.009 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.816 5.832 -5.015 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.040 3.907 -6.021 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.621 5.518 -5.584 1.00 0.00 H new ATOM 677 N SER A 67 -8.890 -1.854 -8.977 1.00 0.00 N ATOM 678 CA SER A 67 -8.388 -2.752 -10.008 1.00 0.00 C ATOM 679 C SER A 67 -6.909 -2.466 -10.263 1.00 0.00 C ATOM 680 O SER A 67 -6.362 -1.494 -9.732 1.00 0.00 O ATOM 681 CB SER A 67 -9.204 -2.588 -11.295 1.00 0.00 C ATOM 682 OG SER A 67 -8.933 -3.628 -12.221 1.00 0.00 O ATOM 0 H SER A 67 -9.491 -1.107 -9.325 1.00 0.00 H new ATOM 0 HA SER A 67 -8.491 -3.783 -9.670 1.00 0.00 H new ATOM 0 HB2 SER A 67 -10.267 -2.582 -11.054 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.975 -1.625 -11.751 1.00 0.00 H new ATOM 0 HG SER A 67 -9.471 -3.494 -13.029 1.00 0.00 H new ATOM 688 N SER A 68 -6.279 -3.302 -11.082 1.00 0.00 N ATOM 689 CA SER A 68 -4.841 -3.244 -11.312 1.00 0.00 C ATOM 690 C SER A 68 -4.449 -2.052 -12.187 1.00 0.00 C ATOM 691 O SER A 68 -4.017 -2.217 -13.331 1.00 0.00 O ATOM 692 CB SER A 68 -4.381 -4.553 -11.953 1.00 0.00 C ATOM 693 OG SER A 68 -5.203 -4.890 -13.060 1.00 0.00 O ATOM 0 H SER A 68 -6.752 -4.039 -11.605 1.00 0.00 H new ATOM 0 HA SER A 68 -4.346 -3.109 -10.350 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.345 -4.459 -12.279 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.411 -5.355 -11.215 1.00 0.00 H new ATOM 0 HG SER A 68 -5.197 -4.155 -13.708 1.00 0.00 H new ATOM 699 N LYS A 69 -4.596 -0.857 -11.636 1.00 0.00 N ATOM 700 CA LYS A 69 -4.269 0.374 -12.335 1.00 0.00 C ATOM 701 C LYS A 69 -4.251 1.525 -11.338 1.00 0.00 C ATOM 702 O LYS A 69 -4.691 1.366 -10.198 1.00 0.00 O ATOM 703 CB LYS A 69 -5.293 0.646 -13.446 1.00 0.00 C ATOM 704 CG LYS A 69 -6.717 0.839 -12.943 1.00 0.00 C ATOM 705 CD LYS A 69 -7.712 0.914 -14.091 1.00 0.00 C ATOM 706 CE LYS A 69 -7.415 2.076 -15.024 1.00 0.00 C ATOM 707 NZ LYS A 69 -7.608 3.393 -14.358 1.00 0.00 N ATOM 0 H LYS A 69 -4.946 -0.714 -10.689 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.286 0.278 -12.795 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.989 1.537 -13.996 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.277 -0.185 -14.151 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.985 0.015 -12.282 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.774 1.753 -12.352 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.687 -0.019 -14.654 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.721 1.018 -13.691 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.389 1.999 -15.383 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.064 2.014 -15.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.612 4.147 -15.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.515 3.395 -13.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.832 3.559 -13.685 1.00 0.00 H new ATOM 720 N GLN A 70 -3.715 2.664 -11.749 1.00 0.00 N ATOM 721 CA GLN A 70 -3.740 3.852 -10.910 1.00 0.00 C ATOM 722 C GLN A 70 -5.111 4.514 -10.979 1.00 0.00 C ATOM 723 O GLN A 70 -5.671 4.691 -12.064 1.00 0.00 O ATOM 724 CB GLN A 70 -2.651 4.846 -11.329 1.00 0.00 C ATOM 725 CG GLN A 70 -2.708 6.162 -10.566 1.00 0.00 C ATOM 726 CD GLN A 70 -1.588 7.114 -10.938 1.00 0.00 C ATOM 727 OE1 GLN A 70 -0.482 6.695 -11.274 1.00 0.00 O ATOM 728 NE2 GLN A 70 -1.873 8.405 -10.890 1.00 0.00 N ATOM 0 H GLN A 70 -3.260 2.791 -12.653 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.543 3.547 -9.882 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.674 4.388 -11.177 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -2.745 5.049 -12.396 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.666 6.645 -10.758 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.663 5.957 -9.496 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.803 8.712 -10.606 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.162 9.094 -11.137 1.00 0.00 H new ATOM 737 N TRP A 71 -5.649 4.874 -9.823 1.00 0.00 N ATOM 738 CA TRP A 71 -6.973 5.478 -9.755 1.00 0.00 C ATOM 739 C TRP A 71 -6.873 6.947 -9.361 1.00 0.00 C ATOM 740 O TRP A 71 -5.801 7.432 -8.991 1.00 0.00 O ATOM 741 CB TRP A 71 -7.865 4.708 -8.778 1.00 0.00 C ATOM 742 CG TRP A 71 -8.147 3.304 -9.227 1.00 0.00 C ATOM 743 CD1 TRP A 71 -7.376 2.203 -9.001 1.00 0.00 C ATOM 744 CD2 TRP A 71 -9.278 2.853 -9.984 1.00 0.00 C ATOM 745 NE1 TRP A 71 -7.948 1.096 -9.575 1.00 0.00 N ATOM 746 CE2 TRP A 71 -9.120 1.469 -10.181 1.00 0.00 C ATOM 747 CE3 TRP A 71 -10.408 3.482 -10.514 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -10.050 0.709 -10.886 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -11.328 2.725 -11.212 1.00 0.00 C ATOM 750 CH2 TRP A 71 -11.145 1.352 -11.391 1.00 0.00 C ATOM 0 H TRP A 71 -5.190 4.759 -8.919 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.429 5.424 -10.744 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -7.385 4.682 -7.800 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.808 5.242 -8.657 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -6.448 2.202 -8.449 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -7.565 0.151 -9.554 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.559 4.543 -10.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.911 -0.352 -11.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -12.204 3.203 -11.626 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.884 0.787 -11.940 1.00 0.00 H new ATOM 761 N GLU A 72 -8.008 7.635 -9.421 1.00 0.00 N ATOM 762 CA GLU A 72 -8.046 9.096 -9.394 1.00 0.00 C ATOM 763 C GLU A 72 -7.967 9.685 -7.984 1.00 0.00 C ATOM 764 O GLU A 72 -7.910 10.907 -7.831 1.00 0.00 O ATOM 765 CB GLU A 72 -9.323 9.571 -10.087 1.00 0.00 C ATOM 766 CG GLU A 72 -9.376 9.201 -11.562 1.00 0.00 C ATOM 767 CD GLU A 72 -10.790 9.077 -12.084 1.00 0.00 C ATOM 768 OE1 GLU A 72 -11.356 10.096 -12.530 1.00 0.00 O ATOM 769 OE2 GLU A 72 -11.336 7.952 -12.063 1.00 0.00 O ATOM 0 H GLU A 72 -8.927 7.198 -9.490 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.160 9.451 -9.920 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.186 9.140 -9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.402 10.654 -9.987 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.845 9.956 -12.141 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.853 8.257 -11.714 1.00 0.00 H new ATOM 776 N ASP A 73 -7.955 8.840 -6.960 1.00 0.00 N ATOM 777 CA ASP A 73 -7.866 9.335 -5.586 1.00 0.00 C ATOM 778 C ASP A 73 -6.673 8.705 -4.871 1.00 0.00 C ATOM 779 O ASP A 73 -6.782 7.620 -4.293 1.00 0.00 O ATOM 780 CB ASP A 73 -9.154 9.040 -4.808 1.00 0.00 C ATOM 781 CG ASP A 73 -9.290 9.899 -3.557 1.00 0.00 C ATOM 782 OD1 ASP A 73 -8.300 10.040 -2.807 1.00 0.00 O ATOM 783 OD2 ASP A 73 -10.390 10.454 -3.331 1.00 0.00 O ATOM 0 H ASP A 73 -8.005 7.825 -7.048 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.729 10.416 -5.628 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.013 9.210 -5.457 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.171 7.987 -4.526 1.00 0.00 H new ATOM 788 N PRO A 74 -5.499 9.350 -4.950 1.00 0.00 N ATOM 789 CA PRO A 74 -4.298 8.897 -4.269 1.00 0.00 C ATOM 790 C PRO A 74 -4.047 9.616 -2.941 1.00 0.00 C ATOM 791 O PRO A 74 -3.214 9.189 -2.141 1.00 0.00 O ATOM 792 CB PRO A 74 -3.218 9.256 -5.284 1.00 0.00 C ATOM 793 CG PRO A 74 -3.728 10.476 -5.992 1.00 0.00 C ATOM 794 CD PRO A 74 -5.224 10.543 -5.763 1.00 0.00 C ATOM 0 HA PRO A 74 -4.345 7.844 -3.993 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.267 9.456 -4.791 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.048 8.438 -5.984 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.241 11.373 -5.609 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.505 10.422 -7.058 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.510 11.458 -5.244 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.775 10.524 -6.703 1.00 0.00 H new ATOM 802 N SER A 75 -4.783 10.694 -2.704 1.00 0.00 N ATOM 803 CA SER A 75 -4.539 11.556 -1.558 1.00 0.00 C ATOM 804 C SER A 75 -5.050 10.946 -0.254 1.00 0.00 C ATOM 805 O SER A 75 -4.783 11.472 0.827 1.00 0.00 O ATOM 806 CB SER A 75 -5.165 12.928 -1.805 1.00 0.00 C ATOM 807 OG SER A 75 -6.390 12.811 -2.516 1.00 0.00 O ATOM 0 H SER A 75 -5.559 10.992 -3.295 1.00 0.00 H new ATOM 0 HA SER A 75 -3.461 11.667 -1.445 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.340 13.428 -0.852 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.471 13.551 -2.369 1.00 0.00 H new ATOM 0 HG SER A 75 -6.771 13.702 -2.660 1.00 0.00 H new ATOM 813 N GLN A 76 -5.761 9.825 -0.353 1.00 0.00 N ATOM 814 CA GLN A 76 -6.255 9.116 0.825 1.00 0.00 C ATOM 815 C GLN A 76 -5.108 8.695 1.749 1.00 0.00 C ATOM 816 O GLN A 76 -5.295 8.533 2.953 1.00 0.00 O ATOM 817 CB GLN A 76 -7.054 7.876 0.405 1.00 0.00 C ATOM 818 CG GLN A 76 -8.388 8.189 -0.257 1.00 0.00 C ATOM 819 CD GLN A 76 -9.392 8.821 0.693 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.313 8.465 1.966 1.00 0.00 O flip ATOM 821 NE2 GLN A 76 -10.242 9.610 0.284 1.00 0.00 N flip ATOM 0 H GLN A 76 -6.009 9.387 -1.240 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.903 9.801 1.371 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.450 7.284 -0.282 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.234 7.258 1.285 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.220 8.861 -1.098 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.810 7.270 -0.663 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.272 9.861 -0.704 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.917 10.014 0.933 1.00 0.00 H new ATOM 830 N ALA A 77 -3.916 8.545 1.184 1.00 0.00 N ATOM 831 CA ALA A 77 -2.769 8.040 1.933 1.00 0.00 C ATOM 832 C ALA A 77 -1.899 9.177 2.465 1.00 0.00 C ATOM 833 O ALA A 77 -0.702 9.000 2.696 1.00 0.00 O ATOM 834 CB ALA A 77 -1.943 7.113 1.053 1.00 0.00 C ATOM 0 H ALA A 77 -3.717 8.766 0.208 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.146 7.484 2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.089 6.740 1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.559 6.274 0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.589 7.660 0.180 1.00 0.00 H new ATOM 840 N SER A 78 -2.512 10.337 2.668 1.00 0.00 N ATOM 841 CA SER A 78 -1.796 11.525 3.130 1.00 0.00 C ATOM 842 C SER A 78 -1.084 11.273 4.463 1.00 0.00 C ATOM 843 O SER A 78 0.079 11.648 4.632 1.00 0.00 O ATOM 844 CB SER A 78 -2.763 12.706 3.261 1.00 0.00 C ATOM 845 OG SER A 78 -2.078 13.901 3.585 1.00 0.00 O ATOM 0 H SER A 78 -3.511 10.483 2.519 1.00 0.00 H new ATOM 0 HA SER A 78 -1.034 11.764 2.388 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.306 12.839 2.326 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.503 12.489 4.031 1.00 0.00 H new ATOM 0 HG SER A 78 -2.721 14.637 3.660 1.00 0.00 H new ATOM 851 N LYS A 79 -1.773 10.615 5.398 1.00 0.00 N ATOM 852 CA LYS A 79 -1.217 10.374 6.730 1.00 0.00 C ATOM 853 C LYS A 79 0.056 9.533 6.642 1.00 0.00 C ATOM 854 O LYS A 79 0.977 9.707 7.443 1.00 0.00 O ATOM 855 CB LYS A 79 -2.269 9.701 7.630 1.00 0.00 C ATOM 856 CG LYS A 79 -1.883 9.590 9.106 1.00 0.00 C ATOM 857 CD LYS A 79 -1.042 8.351 9.392 1.00 0.00 C ATOM 858 CE LYS A 79 -0.525 8.328 10.825 1.00 0.00 C ATOM 859 NZ LYS A 79 -1.623 8.288 11.832 1.00 0.00 N ATOM 0 H LYS A 79 -2.712 10.242 5.258 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.949 11.332 7.176 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.201 10.261 7.555 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.467 8.700 7.246 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -1.327 10.480 9.402 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.787 9.561 9.715 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.639 7.458 9.208 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.199 8.319 8.702 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.119 7.459 10.961 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.090 9.211 10.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.227 8.427 12.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.308 9.043 11.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.101 7.366 11.788 1.00 0.00 H new ATOM 872 N VAL A 80 0.120 8.650 5.650 1.00 0.00 N ATOM 873 CA VAL A 80 1.294 7.807 5.458 1.00 0.00 C ATOM 874 C VAL A 80 2.498 8.663 5.097 1.00 0.00 C ATOM 875 O VAL A 80 3.523 8.628 5.778 1.00 0.00 O ATOM 876 CB VAL A 80 1.074 6.746 4.353 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.344 5.940 4.112 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.079 5.822 4.712 1.00 0.00 C ATOM 0 H VAL A 80 -0.625 8.500 4.969 1.00 0.00 H new ATOM 0 HA VAL A 80 1.472 7.285 6.398 1.00 0.00 H new ATOM 0 HB VAL A 80 0.821 7.271 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.163 5.201 3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.146 6.609 3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.633 5.432 5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.215 5.085 3.921 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.142 5.311 5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.992 6.406 4.824 1.00 0.00 H new ATOM 888 N CYS A 81 2.357 9.453 4.042 1.00 0.00 N ATOM 889 CA CYS A 81 3.438 10.315 3.587 1.00 0.00 C ATOM 890 C CYS A 81 3.840 11.292 4.685 1.00 0.00 C ATOM 891 O CYS A 81 5.025 11.520 4.918 1.00 0.00 O ATOM 892 CB CYS A 81 3.019 11.078 2.330 1.00 0.00 C ATOM 893 SG CYS A 81 2.423 10.017 0.974 1.00 0.00 S ATOM 0 H CYS A 81 1.505 9.515 3.485 1.00 0.00 H new ATOM 0 HA CYS A 81 4.297 9.689 3.346 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.234 11.786 2.594 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.868 11.661 1.973 1.00 0.00 H new ATOM 898 N GLN A 82 2.848 11.842 5.378 1.00 0.00 N ATOM 899 CA GLN A 82 3.099 12.804 6.444 1.00 0.00 C ATOM 900 C GLN A 82 3.902 12.165 7.576 1.00 0.00 C ATOM 901 O GLN A 82 4.838 12.773 8.102 1.00 0.00 O ATOM 902 CB GLN A 82 1.777 13.358 6.988 1.00 0.00 C ATOM 903 CG GLN A 82 1.950 14.433 8.052 1.00 0.00 C ATOM 904 CD GLN A 82 2.672 15.662 7.534 1.00 0.00 C ATOM 905 OE1 GLN A 82 2.047 16.594 7.031 1.00 0.00 O ATOM 906 NE2 GLN A 82 3.990 15.675 7.657 1.00 0.00 N ATOM 0 H GLN A 82 1.861 11.637 5.220 1.00 0.00 H new ATOM 0 HA GLN A 82 3.682 13.625 6.027 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.199 13.769 6.161 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.195 12.537 7.406 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.970 14.725 8.429 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.505 14.019 8.894 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.471 14.881 8.080 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.525 16.479 7.328 1.00 0.00 H new ATOM 915 N ARG A 83 3.547 10.937 7.936 1.00 0.00 N ATOM 916 CA ARG A 83 4.228 10.232 9.016 1.00 0.00 C ATOM 917 C ARG A 83 5.671 9.927 8.622 1.00 0.00 C ATOM 918 O ARG A 83 6.570 9.945 9.460 1.00 0.00 O ATOM 919 CB ARG A 83 3.482 8.935 9.365 1.00 0.00 C ATOM 920 CG ARG A 83 3.408 8.640 10.859 1.00 0.00 C ATOM 921 CD ARG A 83 4.777 8.376 11.469 1.00 0.00 C ATOM 922 NE ARG A 83 4.710 8.228 12.921 1.00 0.00 N ATOM 923 CZ ARG A 83 5.746 7.889 13.682 1.00 0.00 C ATOM 924 NH1 ARG A 83 6.925 7.644 13.127 1.00 0.00 N ATOM 925 NH2 ARG A 83 5.607 7.795 14.995 1.00 0.00 N ATOM 0 H ARG A 83 2.793 10.409 7.497 1.00 0.00 H new ATOM 0 HA ARG A 83 4.236 10.873 9.898 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.469 8.993 8.967 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.974 8.100 8.865 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.942 9.483 11.370 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.767 7.774 11.024 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.201 7.472 11.032 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.450 9.196 11.219 1.00 0.00 H new ATOM 0 HE ARG A 83 3.814 8.395 13.379 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.037 7.716 12.116 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.720 7.384 13.711 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.702 7.983 15.427 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.405 7.535 15.575 1.00 0.00 H new ATOM 938 N LEU A 84 5.891 9.673 7.337 1.00 0.00 N ATOM 939 CA LEU A 84 7.232 9.389 6.830 1.00 0.00 C ATOM 940 C LEU A 84 7.981 10.680 6.505 1.00 0.00 C ATOM 941 O LEU A 84 9.067 10.647 5.925 1.00 0.00 O ATOM 942 CB LEU A 84 7.171 8.490 5.590 1.00 0.00 C ATOM 943 CG LEU A 84 7.127 6.983 5.868 1.00 0.00 C ATOM 944 CD1 LEU A 84 5.851 6.588 6.596 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.255 6.206 4.570 1.00 0.00 C ATOM 0 H LEU A 84 5.160 9.657 6.626 1.00 0.00 H new ATOM 0 HA LEU A 84 7.775 8.862 7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.289 8.761 5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.040 8.701 4.966 1.00 0.00 H new ATOM 0 HG LEU A 84 7.969 6.738 6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.853 5.513 6.777 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.797 7.116 7.548 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.987 6.851 5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.222 5.137 4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.432 6.470 3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.202 6.452 4.090 1.00 0.00 H new ATOM 957 N ASN A 85 7.382 11.810 6.884 1.00 0.00 N ATOM 958 CA ASN A 85 7.985 13.131 6.698 1.00 0.00 C ATOM 959 C ASN A 85 8.166 13.451 5.218 1.00 0.00 C ATOM 960 O ASN A 85 9.158 14.060 4.812 1.00 0.00 O ATOM 961 CB ASN A 85 9.324 13.236 7.439 1.00 0.00 C ATOM 962 CG ASN A 85 9.178 13.128 8.950 1.00 0.00 C ATOM 963 OD1 ASN A 85 8.065 13.612 9.484 1.00 0.00 O flip ATOM 964 ND2 ASN A 85 10.071 12.627 9.635 1.00 0.00 N flip ATOM 0 H ASN A 85 6.464 11.835 7.329 1.00 0.00 H new ATOM 0 HA ASN A 85 7.302 13.866 7.123 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.990 12.449 7.087 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.796 14.187 7.192 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.914 12.265 9.189 1.00 0.00 H new ATOM 0 HD22 ASN A 85 9.968 12.574 10.648 1.00 0.00 H new ATOM 971 N CYS A 86 7.198 13.037 4.420 1.00 0.00 N ATOM 972 CA CYS A 86 7.192 13.323 2.998 1.00 0.00 C ATOM 973 C CYS A 86 6.007 14.232 2.675 1.00 0.00 C ATOM 974 O CYS A 86 5.173 14.499 3.543 1.00 0.00 O ATOM 975 CB CYS A 86 7.098 12.017 2.200 1.00 0.00 C ATOM 976 SG CYS A 86 8.276 10.723 2.728 1.00 0.00 S ATOM 0 H CYS A 86 6.396 12.494 4.739 1.00 0.00 H new ATOM 0 HA CYS A 86 8.118 13.828 2.722 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.084 11.625 2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.267 12.237 1.146 1.00 0.00 H new ATOM 981 N GLY A 87 5.931 14.702 1.443 1.00 0.00 N ATOM 982 CA GLY A 87 4.861 15.598 1.053 1.00 0.00 C ATOM 983 C GLY A 87 3.609 14.861 0.611 1.00 0.00 C ATOM 984 O GLY A 87 3.455 13.670 0.875 1.00 0.00 O ATOM 0 H GLY A 87 6.594 14.479 0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.616 16.251 1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.207 16.238 0.241 1.00 0.00 H new ATOM 988 N ASP A 88 2.725 15.582 -0.070 1.00 0.00 N ATOM 989 CA ASP A 88 1.438 15.043 -0.521 1.00 0.00 C ATOM 990 C ASP A 88 1.621 13.826 -1.426 1.00 0.00 C ATOM 991 O ASP A 88 2.643 13.694 -2.104 1.00 0.00 O ATOM 992 CB ASP A 88 0.655 16.117 -1.282 1.00 0.00 C ATOM 993 CG ASP A 88 0.331 17.331 -0.436 1.00 0.00 C ATOM 994 OD1 ASP A 88 1.255 18.123 -0.146 1.00 0.00 O ATOM 995 OD2 ASP A 88 -0.851 17.513 -0.077 1.00 0.00 O ATOM 0 H ASP A 88 2.876 16.557 -0.327 1.00 0.00 H new ATOM 0 HA ASP A 88 0.886 14.734 0.367 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.233 16.432 -2.151 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.273 15.684 -1.656 1.00 0.00 H new ATOM 1000 N PRO A 89 0.627 12.920 -1.448 1.00 0.00 N ATOM 1001 CA PRO A 89 0.658 11.729 -2.288 1.00 0.00 C ATOM 1002 C PRO A 89 0.316 12.049 -3.742 1.00 0.00 C ATOM 1003 O PRO A 89 -0.803 12.460 -4.055 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.410 10.808 -1.680 1.00 0.00 C ATOM 1005 CG PRO A 89 -1.004 11.546 -0.521 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.610 12.988 -0.667 1.00 0.00 C ATOM 0 HA PRO A 89 1.650 11.279 -2.309 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.175 10.564 -2.417 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.031 9.866 -1.354 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.089 11.442 -0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.638 11.140 0.422 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.379 13.565 -1.180 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.449 13.461 0.302 1.00 0.00 H new ATOM 1014 N LEU A 90 1.289 11.854 -4.619 1.00 0.00 N ATOM 1015 CA LEU A 90 1.129 12.153 -6.037 1.00 0.00 C ATOM 1016 C LEU A 90 0.385 11.012 -6.729 1.00 0.00 C ATOM 1017 O LEU A 90 -0.509 11.235 -7.544 1.00 0.00 O ATOM 1018 CB LEU A 90 2.510 12.353 -6.689 1.00 0.00 C ATOM 1019 CG LEU A 90 2.567 13.304 -7.899 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.006 13.472 -8.364 1.00 0.00 C ATOM 1021 CD2 LEU A 90 1.708 12.799 -9.049 1.00 0.00 C ATOM 0 H LEU A 90 2.208 11.486 -4.371 1.00 0.00 H new ATOM 0 HA LEU A 90 0.550 13.070 -6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.195 12.727 -5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.883 11.378 -7.003 1.00 0.00 H new ATOM 0 HG LEU A 90 2.171 14.269 -7.582 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.035 14.146 -9.220 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.604 13.888 -7.553 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.411 12.502 -8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.773 13.496 -9.885 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.063 11.818 -9.365 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.671 12.721 -8.722 1.00 0.00 H new ATOM 1033 N SER A 91 0.758 9.786 -6.399 1.00 0.00 N ATOM 1034 CA SER A 91 0.187 8.621 -7.056 1.00 0.00 C ATOM 1035 C SER A 91 0.093 7.437 -6.100 1.00 0.00 C ATOM 1036 O SER A 91 0.969 7.236 -5.256 1.00 0.00 O ATOM 1037 CB SER A 91 1.023 8.238 -8.279 1.00 0.00 C ATOM 1038 OG SER A 91 1.095 9.313 -9.201 1.00 0.00 O ATOM 0 H SER A 91 1.452 9.572 -5.682 1.00 0.00 H new ATOM 0 HA SER A 91 -0.822 8.881 -7.377 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.028 7.956 -7.964 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.585 7.366 -8.765 1.00 0.00 H new ATOM 0 HG SER A 91 1.635 9.046 -9.974 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.981 6.672 -6.240 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.189 5.464 -5.456 1.00 0.00 C ATOM 1046 C LEU A 92 -1.711 4.359 -6.367 1.00 0.00 C ATOM 1047 O LEU A 92 -2.896 4.330 -6.712 1.00 0.00 O ATOM 1048 CB LEU A 92 -2.189 5.721 -4.324 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.506 4.510 -3.437 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -1.327 4.161 -2.540 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -3.752 4.769 -2.602 1.00 0.00 C ATOM 0 H LEU A 92 -1.732 6.872 -6.900 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.240 5.160 -5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.800 6.520 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.120 6.084 -4.760 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.696 3.658 -4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.582 3.299 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.459 3.923 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.094 5.011 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.960 3.899 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.589 5.639 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.600 4.955 -3.261 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.824 3.465 -6.763 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.190 2.421 -7.697 1.00 0.00 C ATOM 1065 C GLY A 93 -0.078 1.412 -7.869 1.00 0.00 C ATOM 1066 O GLY A 93 0.772 1.295 -6.993 1.00 0.00 O ATOM 0 H GLY A 93 0.148 3.442 -6.454 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.089 1.916 -7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.432 2.865 -8.663 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.047 0.674 -8.989 1.00 0.00 N ATOM 1071 CA PRO A 94 0.986 -0.334 -9.239 1.00 0.00 C ATOM 1072 C PRO A 94 2.377 0.286 -9.370 1.00 0.00 C ATOM 1073 O PRO A 94 2.584 1.223 -10.148 1.00 0.00 O ATOM 1074 CB PRO A 94 0.563 -0.985 -10.565 1.00 0.00 C ATOM 1075 CG PRO A 94 -0.857 -0.581 -10.767 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.007 0.756 -10.096 1.00 0.00 C ATOM 0 HA PRO A 94 1.061 -1.044 -8.415 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.190 -0.643 -11.388 1.00 0.00 H new ATOM 0 HB3 PRO A 94 0.660 -2.070 -10.519 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.096 -0.514 -11.828 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.537 -1.314 -10.333 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -0.774 1.577 -10.774 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.024 0.917 -9.738 1.00 0.00 H new ATOM 1084 N PHE A 95 3.323 -0.240 -8.607 1.00 0.00 N ATOM 1085 CA PHE A 95 4.692 0.245 -8.638 1.00 0.00 C ATOM 1086 C PHE A 95 5.651 -0.935 -8.751 1.00 0.00 C ATOM 1087 O PHE A 95 5.950 -1.597 -7.754 1.00 0.00 O ATOM 1088 CB PHE A 95 4.994 1.072 -7.383 1.00 0.00 C ATOM 1089 CG PHE A 95 6.282 1.845 -7.459 1.00 0.00 C ATOM 1090 CD1 PHE A 95 6.302 3.132 -7.977 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.469 1.290 -7.014 1.00 0.00 C ATOM 1092 CE1 PHE A 95 7.481 3.848 -8.047 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.652 2.002 -7.083 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.658 3.283 -7.600 1.00 0.00 C ATOM 0 H PHE A 95 3.165 -1.008 -7.955 1.00 0.00 H new ATOM 0 HA PHE A 95 4.824 0.890 -9.507 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.173 1.768 -7.212 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.031 0.406 -6.521 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.384 3.579 -8.330 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.471 0.289 -6.608 1.00 0.00 H new ATOM 0 HE1 PHE A 95 7.482 4.849 -8.451 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.571 1.557 -6.733 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.581 3.841 -7.654 1.00 0.00 H new ATOM 1104 N LEU A 96 6.096 -1.197 -9.983 1.00 0.00 N ATOM 1105 CA LEU A 96 7.017 -2.298 -10.291 1.00 0.00 C ATOM 1106 C LEU A 96 6.315 -3.653 -10.205 1.00 0.00 C ATOM 1107 O LEU A 96 5.374 -3.843 -9.433 1.00 0.00 O ATOM 1108 CB LEU A 96 8.240 -2.284 -9.360 1.00 0.00 C ATOM 1109 CG LEU A 96 9.125 -1.031 -9.439 1.00 0.00 C ATOM 1110 CD1 LEU A 96 10.255 -1.112 -8.421 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.689 -0.849 -10.842 1.00 0.00 C ATOM 0 H LEU A 96 5.827 -0.649 -10.800 1.00 0.00 H new ATOM 0 HA LEU A 96 7.359 -2.148 -11.315 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.893 -2.396 -8.333 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.855 -3.155 -9.586 1.00 0.00 H new ATOM 0 HG LEU A 96 8.505 -0.165 -9.206 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.872 -0.216 -8.491 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.836 -1.187 -7.418 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.867 -1.991 -8.625 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.312 0.045 -10.871 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.290 -1.719 -11.108 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.869 -0.743 -11.553 1.00 0.00 H new ATOM 1123 N LYS A 97 6.769 -4.594 -11.016 1.00 0.00 N ATOM 1124 CA LYS A 97 6.232 -5.945 -10.984 1.00 0.00 C ATOM 1125 C LYS A 97 7.222 -6.863 -10.280 1.00 0.00 C ATOM 1126 O LYS A 97 7.965 -7.604 -10.923 1.00 0.00 O ATOM 1127 CB LYS A 97 5.941 -6.477 -12.397 1.00 0.00 C ATOM 1128 CG LYS A 97 4.976 -5.629 -13.222 1.00 0.00 C ATOM 1129 CD LYS A 97 5.708 -4.595 -14.067 1.00 0.00 C ATOM 1130 CE LYS A 97 4.748 -3.802 -14.947 1.00 0.00 C ATOM 1131 NZ LYS A 97 3.989 -4.682 -15.880 1.00 0.00 N ATOM 0 H LYS A 97 7.508 -4.448 -11.704 1.00 0.00 H new ATOM 0 HA LYS A 97 5.288 -5.922 -10.440 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.883 -6.558 -12.939 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.534 -7.485 -12.312 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.387 -6.277 -13.871 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.276 -5.124 -12.556 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.252 -3.912 -13.415 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.447 -5.095 -14.693 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.048 -3.253 -14.317 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.308 -3.063 -15.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.561 -4.104 -16.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.635 -5.377 -16.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.241 -5.179 -15.357 1.00 0.00 H new ATOM 1144 N THR A 98 7.239 -6.789 -8.957 1.00 0.00 N ATOM 1145 CA THR A 98 8.177 -7.559 -8.149 1.00 0.00 C ATOM 1146 C THR A 98 7.830 -9.049 -8.160 1.00 0.00 C ATOM 1147 O THR A 98 8.719 -9.895 -8.035 1.00 0.00 O ATOM 1148 CB THR A 98 8.190 -7.028 -6.702 1.00 0.00 C ATOM 1149 OG1 THR A 98 8.358 -5.604 -6.718 1.00 0.00 O ATOM 1150 CG2 THR A 98 9.314 -7.663 -5.891 1.00 0.00 C ATOM 0 H THR A 98 6.608 -6.198 -8.415 1.00 0.00 H new ATOM 0 HA THR A 98 9.170 -7.442 -8.584 1.00 0.00 H new ATOM 0 HB THR A 98 7.241 -7.288 -6.233 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.305 -5.388 -6.850 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.297 -7.269 -4.875 1.00 0.00 H new ATOM 0 HG22 THR A 98 9.177 -8.744 -5.863 1.00 0.00 H new ATOM 0 HG23 THR A 98 10.273 -7.431 -6.354 1.00 0.00 H new ATOM 1158 N TYR A 99 6.546 -9.361 -8.333 1.00 0.00 N ATOM 1159 CA TYR A 99 6.090 -10.754 -8.416 1.00 0.00 C ATOM 1160 C TYR A 99 6.520 -11.565 -7.193 1.00 0.00 C ATOM 1161 O TYR A 99 7.503 -12.310 -7.237 1.00 0.00 O ATOM 1162 CB TYR A 99 6.620 -11.420 -9.691 1.00 0.00 C ATOM 1163 CG TYR A 99 5.672 -11.352 -10.870 1.00 0.00 C ATOM 1164 CD1 TYR A 99 5.600 -10.222 -11.676 1.00 0.00 C ATOM 1165 CD2 TYR A 99 4.855 -12.432 -11.181 1.00 0.00 C ATOM 1166 CE1 TYR A 99 4.736 -10.171 -12.756 1.00 0.00 C ATOM 1167 CE2 TYR A 99 3.992 -12.386 -12.258 1.00 0.00 C ATOM 1168 CZ TYR A 99 3.937 -11.256 -13.042 1.00 0.00 C ATOM 1169 OH TYR A 99 3.078 -11.214 -14.116 1.00 0.00 O ATOM 0 H TYR A 99 5.801 -8.670 -8.419 1.00 0.00 H new ATOM 0 HA TYR A 99 5.001 -10.735 -8.445 1.00 0.00 H new ATOM 0 HB2 TYR A 99 7.562 -10.947 -9.969 1.00 0.00 H new ATOM 0 HB3 TYR A 99 6.840 -12.466 -9.476 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.228 -9.371 -11.456 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.896 -13.322 -10.570 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.688 -9.285 -13.372 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.362 -13.234 -12.484 1.00 0.00 H new ATOM 0 HH TYR A 99 2.589 -12.061 -14.177 1.00 0.00 H new ATOM 1179 N THR A 100 5.787 -11.413 -6.103 1.00 0.00 N ATOM 1180 CA THR A 100 6.055 -12.164 -4.888 1.00 0.00 C ATOM 1181 C THR A 100 4.743 -12.641 -4.265 1.00 0.00 C ATOM 1182 O THR A 100 4.244 -12.043 -3.310 1.00 0.00 O ATOM 1183 CB THR A 100 6.841 -11.311 -3.875 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.983 -10.727 -4.519 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.301 -12.152 -2.694 1.00 0.00 C ATOM 0 H THR A 100 4.997 -10.772 -6.035 1.00 0.00 H new ATOM 0 HA THR A 100 6.663 -13.030 -5.150 1.00 0.00 H new ATOM 0 HB THR A 100 6.182 -10.526 -3.505 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.481 -10.184 -3.873 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.853 -11.525 -1.994 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.433 -12.579 -2.192 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.947 -12.955 -3.049 1.00 0.00 H new ATOM 1193 N PRO A 101 4.170 -13.731 -4.806 1.00 0.00 N ATOM 1194 CA PRO A 101 2.866 -14.250 -4.386 1.00 0.00 C ATOM 1195 C PRO A 101 2.935 -15.005 -3.062 1.00 0.00 C ATOM 1196 O PRO A 101 2.659 -16.204 -2.996 1.00 0.00 O ATOM 1197 CB PRO A 101 2.462 -15.200 -5.530 1.00 0.00 C ATOM 1198 CG PRO A 101 3.521 -15.059 -6.578 1.00 0.00 C ATOM 1199 CD PRO A 101 4.744 -14.557 -5.871 1.00 0.00 C ATOM 0 HA PRO A 101 2.151 -13.446 -4.215 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.397 -16.229 -5.177 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.482 -14.937 -5.928 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.717 -16.015 -7.064 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.208 -14.363 -7.357 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.347 -15.373 -5.473 1.00 0.00 H new ATOM 0 HD3 PRO A 101 5.388 -13.978 -6.533 1.00 0.00 H new ATOM 1207 N GLN A 102 3.309 -14.295 -2.013 1.00 0.00 N ATOM 1208 CA GLN A 102 3.417 -14.884 -0.689 1.00 0.00 C ATOM 1209 C GLN A 102 3.251 -13.814 0.378 1.00 0.00 C ATOM 1210 O GLN A 102 2.375 -13.909 1.233 1.00 0.00 O ATOM 1211 CB GLN A 102 4.764 -15.595 -0.532 1.00 0.00 C ATOM 1212 CG GLN A 102 4.956 -16.254 0.825 1.00 0.00 C ATOM 1213 CD GLN A 102 6.209 -17.103 0.889 1.00 0.00 C ATOM 1214 OE1 GLN A 102 6.178 -18.300 0.607 1.00 0.00 O ATOM 1215 NE2 GLN A 102 7.324 -16.484 1.240 1.00 0.00 N ATOM 0 H GLN A 102 3.545 -13.303 -2.052 1.00 0.00 H new ATOM 0 HA GLN A 102 2.622 -15.620 -0.567 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.857 -16.353 -1.310 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.566 -14.874 -0.692 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.004 -15.484 1.595 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.089 -16.875 1.049 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.306 -15.490 1.466 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.202 -17.001 1.285 1.00 0.00 H new ATOM 1224 N SER A 103 4.085 -12.786 0.316 1.00 0.00 N ATOM 1225 CA SER A 103 4.002 -11.682 1.261 1.00 0.00 C ATOM 1226 C SER A 103 2.972 -10.659 0.781 1.00 0.00 C ATOM 1227 O SER A 103 2.658 -9.695 1.478 1.00 0.00 O ATOM 1228 CB SER A 103 5.378 -11.025 1.427 1.00 0.00 C ATOM 1229 OG SER A 103 5.382 -10.091 2.495 1.00 0.00 O ATOM 0 H SER A 103 4.826 -12.693 -0.378 1.00 0.00 H new ATOM 0 HA SER A 103 3.684 -12.066 2.230 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.129 -11.793 1.611 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.656 -10.522 0.501 1.00 0.00 H new ATOM 0 HG SER A 103 4.557 -9.562 2.470 1.00 0.00 H new ATOM 1235 N SER A 104 2.445 -10.894 -0.410 1.00 0.00 N ATOM 1236 CA SER A 104 1.479 -9.996 -1.023 1.00 0.00 C ATOM 1237 C SER A 104 0.069 -10.267 -0.493 1.00 0.00 C ATOM 1238 O SER A 104 -0.340 -11.425 -0.357 1.00 0.00 O ATOM 1239 CB SER A 104 1.526 -10.182 -2.538 1.00 0.00 C ATOM 1240 OG SER A 104 1.372 -11.551 -2.882 1.00 0.00 O ATOM 0 H SER A 104 2.674 -11.710 -0.978 1.00 0.00 H new ATOM 0 HA SER A 104 1.733 -8.966 -0.771 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.737 -9.594 -3.006 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.474 -9.809 -2.926 1.00 0.00 H new ATOM 0 HG SER A 104 0.936 -11.621 -3.757 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.671 -9.203 -0.195 1.00 0.00 N ATOM 1247 CA ILE A 105 -2.015 -9.339 0.349 1.00 0.00 C ATOM 1248 C ILE A 105 -3.036 -8.563 -0.479 1.00 0.00 C ATOM 1249 O ILE A 105 -2.712 -7.564 -1.127 1.00 0.00 O ATOM 1250 CB ILE A 105 -2.108 -8.843 1.814 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.686 -7.372 1.907 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.264 -9.716 2.737 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.915 -6.742 3.264 1.00 0.00 C ATOM 0 H ILE A 105 -0.362 -8.239 -0.321 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.239 -10.405 0.315 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.145 -8.921 2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.628 -7.293 1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.234 -6.801 1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.345 -9.348 3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.621 -10.745 2.692 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.222 -9.679 2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.589 -5.702 3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.976 -6.785 3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.345 -7.285 4.018 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.268 -9.039 -0.445 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.396 -8.338 -1.035 1.00 0.00 C ATOM 1267 C ILE A 106 -6.442 -8.118 0.048 1.00 0.00 C ATOM 1268 O ILE A 106 -6.900 -9.072 0.673 1.00 0.00 O ATOM 1269 CB ILE A 106 -6.011 -9.126 -2.219 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -5.105 -9.026 -3.446 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.407 -8.614 -2.549 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.568 -9.864 -4.620 1.00 0.00 C ATOM 0 H ILE A 106 -4.516 -9.926 -0.006 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.049 -7.385 -1.433 1.00 0.00 H new ATOM 0 HB ILE A 106 -6.095 -10.172 -1.925 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.045 -7.983 -3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.097 -9.334 -3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.816 -9.184 -3.383 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -8.053 -8.731 -1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.353 -7.560 -2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.874 -9.740 -5.452 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.600 -10.914 -4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.563 -9.542 -4.927 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.801 -6.872 0.298 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.675 -6.570 1.417 1.00 0.00 C ATOM 1286 C CYS A 107 -9.064 -6.163 0.940 1.00 0.00 C ATOM 1287 O CYS A 107 -9.227 -5.638 -0.164 1.00 0.00 O ATOM 1288 CB CYS A 107 -7.064 -5.467 2.285 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.577 -5.535 4.029 1.00 0.00 S ATOM 0 H CYS A 107 -6.506 -6.063 -0.249 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.779 -7.474 2.017 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.977 -5.537 2.233 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.341 -4.497 1.872 1.00 0.00 H new ATOM 1294 N TYR A 108 -10.060 -6.422 1.777 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.440 -6.098 1.455 1.00 0.00 C ATOM 1296 C TYR A 108 -12.055 -5.287 2.590 1.00 0.00 C ATOM 1297 O TYR A 108 -11.702 -5.473 3.760 1.00 0.00 O ATOM 1298 CB TYR A 108 -12.251 -7.378 1.223 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.703 -8.263 0.118 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.983 -7.993 -1.216 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.896 -9.361 0.407 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.484 -8.794 -2.229 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.392 -10.163 -0.600 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.686 -9.876 -1.914 1.00 0.00 C ATOM 1305 OH TYR A 108 -10.184 -10.673 -2.919 1.00 0.00 O ATOM 0 H TYR A 108 -9.934 -6.859 2.690 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.459 -5.507 0.539 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.282 -7.950 2.151 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -13.279 -7.106 0.981 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.601 -7.143 -1.467 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.660 -9.590 1.436 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.718 -8.574 -3.260 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.770 -11.012 -0.357 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.642 -11.390 -2.528 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.969 -4.395 2.248 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.576 -3.543 3.245 1.00 0.00 C ATOM 1317 C GLY A 109 -13.610 -2.094 2.811 1.00 0.00 C ATOM 1318 O GLY A 109 -14.138 -1.776 1.744 1.00 0.00 O ATOM 0 H GLY A 109 -13.302 -4.246 1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.592 -3.885 3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.022 -3.628 4.180 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.037 -1.226 3.632 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.029 0.204 3.360 1.00 0.00 C ATOM 1324 C GLN A 110 -11.675 0.636 2.807 1.00 0.00 C ATOM 1325 O GLN A 110 -10.627 0.238 3.325 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.351 0.976 4.641 1.00 0.00 C ATOM 1327 CG GLN A 110 -13.307 2.486 4.480 1.00 0.00 C ATOM 1328 CD GLN A 110 -13.719 3.214 5.741 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -12.890 3.551 6.588 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -15.012 3.447 5.880 1.00 0.00 N ATOM 0 H GLN A 110 -12.568 -1.490 4.499 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.790 0.424 2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.343 0.687 4.988 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -12.644 0.683 5.417 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.298 2.790 4.202 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -13.965 2.781 3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -15.664 3.151 5.154 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.358 3.923 6.713 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.707 1.446 1.755 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.496 1.924 1.102 1.00 0.00 C ATOM 1341 C LEU A 111 -9.613 2.681 2.082 1.00 0.00 C ATOM 1342 O LEU A 111 -9.945 3.781 2.520 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.851 2.822 -0.084 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.664 3.489 -0.796 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.759 2.454 -1.456 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -10.158 4.494 -1.827 1.00 0.00 C ATOM 0 H LEU A 111 -12.570 1.788 1.333 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.943 1.058 0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.401 2.228 -0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.527 3.603 0.265 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.078 4.016 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.929 2.959 -1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.370 1.774 -0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.330 1.888 -2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.304 4.957 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.773 3.983 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.751 5.263 -1.331 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.487 2.077 2.426 1.00 0.00 N ATOM 1359 CA GLY A 112 -7.570 2.700 3.353 1.00 0.00 C ATOM 1360 C GLY A 112 -7.486 1.958 4.667 1.00 0.00 C ATOM 1361 O GLY A 112 -6.652 2.279 5.514 1.00 0.00 O ATOM 0 H GLY A 112 -8.192 1.165 2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.579 2.748 2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.886 3.727 3.538 1.00 0.00 H new ATOM 1365 N SER A 113 -8.343 0.962 4.845 1.00 0.00 N ATOM 1366 CA SER A 113 -8.347 0.185 6.069 1.00 0.00 C ATOM 1367 C SER A 113 -7.976 -1.270 5.796 1.00 0.00 C ATOM 1368 O SER A 113 -8.661 -1.974 5.052 1.00 0.00 O ATOM 1369 CB SER A 113 -9.716 0.261 6.740 1.00 0.00 C ATOM 1370 OG SER A 113 -9.653 -0.209 8.077 1.00 0.00 O ATOM 0 H SER A 113 -9.041 0.676 4.158 1.00 0.00 H new ATOM 0 HA SER A 113 -7.599 0.608 6.740 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.074 1.291 6.729 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.435 -0.332 6.176 1.00 0.00 H new ATOM 0 HG SER A 113 -10.102 -1.078 8.140 1.00 0.00 H new ATOM 1376 N PHE A 114 -6.891 -1.712 6.411 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.438 -3.089 6.301 1.00 0.00 C ATOM 1378 C PHE A 114 -7.114 -3.934 7.376 1.00 0.00 C ATOM 1379 O PHE A 114 -6.468 -4.476 8.273 1.00 0.00 O ATOM 1380 CB PHE A 114 -4.912 -3.156 6.439 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.181 -2.441 5.337 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -3.867 -1.093 5.453 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -3.807 -3.113 4.185 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.200 -0.432 4.442 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.138 -2.456 3.170 1.00 0.00 C ATOM 1386 CZ PHE A 114 -2.833 -1.114 3.301 1.00 0.00 C ATOM 0 H PHE A 114 -6.300 -1.126 7.000 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.708 -3.482 5.321 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.622 -2.724 7.397 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.601 -4.201 6.453 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -4.149 -0.555 6.346 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.041 -4.162 4.079 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -2.966 0.617 4.544 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.854 -2.990 2.275 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.307 -0.600 2.510 1.00 0.00 H new ATOM 1396 N SER A 115 -8.430 -4.005 7.294 1.00 0.00 N ATOM 1397 CA SER A 115 -9.222 -4.715 8.281 1.00 0.00 C ATOM 1398 C SER A 115 -9.247 -6.217 7.995 1.00 0.00 C ATOM 1399 O SER A 115 -8.680 -7.015 8.745 1.00 0.00 O ATOM 1400 CB SER A 115 -10.641 -4.153 8.295 1.00 0.00 C ATOM 1401 OG SER A 115 -10.626 -2.735 8.369 1.00 0.00 O ATOM 0 H SER A 115 -8.976 -3.576 6.547 1.00 0.00 H new ATOM 0 HA SER A 115 -8.765 -4.573 9.260 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.170 -4.468 7.395 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.189 -4.559 9.145 1.00 0.00 H new ATOM 0 HG SER A 115 -11.546 -2.398 8.375 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.894 -6.596 6.901 1.00 0.00 N ATOM 1408 CA ASN A 116 -10.011 -7.997 6.531 1.00 0.00 C ATOM 1409 C ASN A 116 -9.223 -8.257 5.256 1.00 0.00 C ATOM 1410 O ASN A 116 -9.763 -8.207 4.147 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.484 -8.382 6.342 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.680 -9.868 6.097 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -11.839 -10.650 7.036 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -11.674 -10.267 4.835 1.00 0.00 N ATOM 0 H ASN A 116 -10.346 -5.950 6.254 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.601 -8.611 7.332 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -12.048 -8.087 7.227 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.895 -7.823 5.502 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -11.804 -11.254 4.611 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -11.539 -9.588 4.086 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.934 -8.500 5.416 1.00 0.00 N ATOM 1422 CA CYS A 117 -7.060 -8.722 4.279 1.00 0.00 C ATOM 1423 C CYS A 117 -6.787 -10.211 4.101 1.00 0.00 C ATOM 1424 O CYS A 117 -6.701 -10.957 5.078 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.743 -7.964 4.463 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.928 -6.227 5.001 1.00 0.00 S ATOM 0 H CYS A 117 -7.470 -8.548 6.323 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.557 -8.348 3.384 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -5.134 -8.494 5.196 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.195 -7.982 3.521 1.00 0.00 H new ATOM 1431 N SER A 118 -6.666 -10.640 2.856 1.00 0.00 N ATOM 1432 CA SER A 118 -6.400 -12.032 2.547 1.00 0.00 C ATOM 1433 C SER A 118 -4.990 -12.203 2.000 1.00 0.00 C ATOM 1434 O SER A 118 -4.463 -11.320 1.317 1.00 0.00 O ATOM 1435 CB SER A 118 -7.426 -12.546 1.537 1.00 0.00 C ATOM 1436 OG SER A 118 -8.742 -12.407 2.044 1.00 0.00 O ATOM 0 H SER A 118 -6.749 -10.037 2.037 1.00 0.00 H new ATOM 0 HA SER A 118 -6.482 -12.614 3.465 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.331 -11.994 0.602 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.227 -13.593 1.310 1.00 0.00 H new ATOM 0 HG SER A 118 -9.384 -12.740 1.383 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.380 -13.334 2.322 1.00 0.00 N ATOM 1443 CA HIS A 119 -3.041 -13.651 1.840 1.00 0.00 C ATOM 1444 C HIS A 119 -3.141 -14.210 0.424 1.00 0.00 C ATOM 1445 O HIS A 119 -3.843 -15.192 0.188 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.356 -14.661 2.772 1.00 0.00 C ATOM 1447 CG HIS A 119 -2.247 -14.200 4.199 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.065 -13.788 4.775 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -3.187 -14.096 5.169 1.00 0.00 C ATOM 1450 CE1 HIS A 119 -1.279 -13.451 6.032 1.00 0.00 C ATOM 1451 NE2 HIS A 119 -2.559 -13.628 6.295 1.00 0.00 N ATOM 0 H HIS A 119 -4.792 -14.052 2.918 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.436 -12.744 1.829 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.911 -15.599 2.745 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -1.356 -14.871 2.391 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -4.235 -14.337 5.073 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -0.534 -13.092 6.727 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -3.010 -13.446 7.192 1.00 0.00 H new ATOM 1459 N SER A 120 -2.451 -13.581 -0.516 1.00 0.00 N ATOM 1460 CA SER A 120 -2.639 -13.894 -1.924 1.00 0.00 C ATOM 1461 C SER A 120 -1.555 -14.830 -2.450 1.00 0.00 C ATOM 1462 O SER A 120 -0.359 -14.580 -2.279 1.00 0.00 O ATOM 1463 CB SER A 120 -2.658 -12.603 -2.742 1.00 0.00 C ATOM 1464 OG SER A 120 -2.963 -12.854 -4.107 1.00 0.00 O ATOM 0 H SER A 120 -1.759 -12.855 -0.330 1.00 0.00 H new ATOM 0 HA SER A 120 -3.594 -14.409 -2.026 1.00 0.00 H new ATOM 0 HB2 SER A 120 -3.395 -11.917 -2.324 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.688 -12.111 -2.670 1.00 0.00 H new ATOM 0 HG SER A 120 -2.673 -12.093 -4.652 1.00 0.00 H new ATOM 1470 N ARG A 121 -1.987 -15.910 -3.089 1.00 0.00 N ATOM 1471 CA ARG A 121 -1.080 -16.843 -3.738 1.00 0.00 C ATOM 1472 C ARG A 121 -1.234 -16.756 -5.253 1.00 0.00 C ATOM 1473 O ARG A 121 -1.261 -17.772 -5.948 1.00 0.00 O ATOM 1474 CB ARG A 121 -1.359 -18.276 -3.276 1.00 0.00 C ATOM 1475 CG ARG A 121 -1.079 -18.524 -1.801 1.00 0.00 C ATOM 1476 CD ARG A 121 -1.393 -19.961 -1.417 1.00 0.00 C ATOM 1477 NE ARG A 121 -0.705 -20.920 -2.281 1.00 0.00 N ATOM 1478 CZ ARG A 121 -1.127 -22.161 -2.495 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -2.209 -22.607 -1.877 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -0.473 -22.954 -3.328 1.00 0.00 N ATOM 0 H ARG A 121 -2.972 -16.162 -3.171 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.060 -16.576 -3.462 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.403 -18.515 -3.481 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -0.753 -18.961 -3.869 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.033 -18.307 -1.585 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.677 -17.844 -1.195 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -1.101 -20.132 -0.381 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.469 -20.126 -1.476 1.00 0.00 H new ATOM 0 HE ARG A 121 0.150 -20.617 -2.747 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -2.718 -21.998 -1.237 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.534 -23.560 -2.041 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.359 -22.613 -3.809 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.801 -23.906 -3.489 1.00 0.00 H new ATOM 1493 N ASN A 122 -1.350 -15.537 -5.761 1.00 0.00 N ATOM 1494 CA ASN A 122 -1.535 -15.322 -7.193 1.00 0.00 C ATOM 1495 C ASN A 122 -0.420 -14.456 -7.762 1.00 0.00 C ATOM 1496 O ASN A 122 0.029 -13.505 -7.123 1.00 0.00 O ATOM 1497 CB ASN A 122 -2.883 -14.654 -7.482 1.00 0.00 C ATOM 1498 CG ASN A 122 -4.072 -15.531 -7.143 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -4.524 -16.326 -7.965 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -4.601 -15.376 -5.941 1.00 0.00 N ATOM 0 H ASN A 122 -1.320 -14.682 -5.206 1.00 0.00 H new ATOM 0 HA ASN A 122 -1.511 -16.301 -7.671 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -2.950 -13.727 -6.913 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -2.928 -14.385 -8.537 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -5.414 -15.927 -5.667 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.196 -14.705 -5.288 1.00 0.00 H new ATOM 1507 N ASP A 123 0.009 -14.779 -8.979 1.00 0.00 N ATOM 1508 CA ASP A 123 1.064 -14.022 -9.652 1.00 0.00 C ATOM 1509 C ASP A 123 0.503 -12.727 -10.232 1.00 0.00 C ATOM 1510 O ASP A 123 1.253 -11.831 -10.616 1.00 0.00 O ATOM 1511 CB ASP A 123 1.703 -14.850 -10.773 1.00 0.00 C ATOM 1512 CG ASP A 123 0.772 -15.037 -11.953 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -0.196 -15.812 -11.828 1.00 0.00 O ATOM 1514 OD2 ASP A 123 1.003 -14.406 -13.006 1.00 0.00 O ATOM 0 H ASP A 123 -0.358 -15.561 -9.521 1.00 0.00 H new ATOM 0 HA ASP A 123 1.828 -13.784 -8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.617 -14.359 -11.108 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.991 -15.826 -10.382 1.00 0.00 H new ATOM 1519 N MET A 124 -0.822 -12.633 -10.282 1.00 0.00 N ATOM 1520 CA MET A 124 -1.494 -11.433 -10.780 1.00 0.00 C ATOM 1521 C MET A 124 -1.598 -10.379 -9.679 1.00 0.00 C ATOM 1522 O MET A 124 -2.345 -9.406 -9.796 1.00 0.00 O ATOM 1523 CB MET A 124 -2.896 -11.768 -11.317 1.00 0.00 C ATOM 1524 CG MET A 124 -3.846 -12.320 -10.263 1.00 0.00 C ATOM 1525 SD MET A 124 -5.529 -12.532 -10.879 1.00 0.00 S ATOM 1526 CE MET A 124 -6.005 -10.827 -11.153 1.00 0.00 C ATOM 0 H MET A 124 -1.455 -13.375 -9.983 1.00 0.00 H new ATOM 0 HA MET A 124 -0.896 -11.033 -11.599 1.00 0.00 H new ATOM 0 HB2 MET A 124 -3.333 -10.868 -11.750 1.00 0.00 H new ATOM 0 HB3 MET A 124 -2.801 -12.496 -12.123 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.470 -13.280 -9.909 1.00 0.00 H new ATOM 0 HG3 MET A 124 -3.860 -11.647 -9.405 1.00 0.00 H new ATOM 0 HE1 MET A 124 -6.978 -10.643 -10.698 1.00 0.00 H new ATOM 0 HE2 MET A 124 -5.264 -10.166 -10.704 1.00 0.00 H new ATOM 0 HE3 MET A 124 -6.063 -10.633 -12.224 1.00 0.00 H new ATOM 1536 N CYS A 125 -0.845 -10.577 -8.608 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.840 -9.637 -7.498 1.00 0.00 C ATOM 1538 C CYS A 125 0.148 -8.512 -7.784 1.00 0.00 C ATOM 1539 O CYS A 125 1.288 -8.536 -7.318 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.485 -10.345 -6.184 1.00 0.00 C ATOM 1541 SG CYS A 125 -1.574 -9.906 -4.788 1.00 0.00 S ATOM 0 H CYS A 125 -0.229 -11.381 -8.484 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.839 -9.215 -7.390 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.528 -11.423 -6.341 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.544 -10.103 -5.919 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.297 -7.546 -8.589 1.00 0.00 N ATOM 1547 CA HIS A 126 0.526 -6.394 -8.951 1.00 0.00 C ATOM 1548 C HIS A 126 0.951 -5.646 -7.696 1.00 0.00 C ATOM 1549 O HIS A 126 0.117 -5.326 -6.849 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.238 -5.441 -9.885 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.591 -6.026 -11.225 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -1.481 -6.989 -11.567 1.00 0.00 N flip ATOM 1553 CD2 HIS A 126 -0.025 -5.599 -12.409 1.00 0.00 C flip ATOM 1554 CE1 HIS A 126 -1.436 -7.122 -12.932 1.00 0.00 C flip ATOM 1555 NE2 HIS A 126 -0.550 -6.273 -13.415 1.00 0.00 N flip ATOM 0 H HIS A 126 -1.229 -7.540 -9.004 1.00 0.00 H new ATOM 0 HA HIS A 126 1.408 -6.759 -9.477 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -1.155 -5.125 -9.388 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.365 -4.546 -10.041 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -2.075 -7.517 -10.928 1.00 0.00 H new ATOM 0 HD2 HIS A 126 0.730 -4.832 -12.498 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.030 -7.810 -13.516 1.00 0.00 H new ATOM 1563 N SER A 127 2.244 -5.382 -7.573 1.00 0.00 N ATOM 1564 CA SER A 127 2.777 -4.699 -6.406 1.00 0.00 C ATOM 1565 C SER A 127 2.304 -3.247 -6.372 1.00 0.00 C ATOM 1566 O SER A 127 2.445 -2.520 -7.353 1.00 0.00 O ATOM 1567 CB SER A 127 4.304 -4.772 -6.423 1.00 0.00 C ATOM 1568 OG SER A 127 4.733 -6.103 -6.673 1.00 0.00 O ATOM 0 H SER A 127 2.945 -5.632 -8.271 1.00 0.00 H new ATOM 0 HA SER A 127 2.410 -5.191 -5.505 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.698 -4.106 -7.191 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.702 -4.428 -5.468 1.00 0.00 H new ATOM 0 HG SER A 127 5.275 -6.419 -5.920 1.00 0.00 H new ATOM 1574 N LEU A 128 1.723 -2.841 -5.250 1.00 0.00 N ATOM 1575 CA LEU A 128 1.194 -1.491 -5.113 1.00 0.00 C ATOM 1576 C LEU A 128 2.232 -0.586 -4.459 1.00 0.00 C ATOM 1577 O LEU A 128 2.894 -0.976 -3.493 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.113 -1.514 -4.303 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.918 -0.206 -4.283 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.396 -0.504 -4.090 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -0.429 0.716 -3.174 1.00 0.00 C ATOM 0 H LEU A 128 1.607 -3.427 -4.423 1.00 0.00 H new ATOM 0 HA LEU A 128 0.971 -1.091 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.750 -2.303 -4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.125 -1.786 -3.275 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.774 0.296 -5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.957 0.430 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.751 -1.129 -4.909 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.541 -1.027 -3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -1.015 1.635 -3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -0.544 0.219 -2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.622 0.954 -3.336 1.00 0.00 H new ATOM 1593 N GLY A 129 2.369 0.616 -4.993 1.00 0.00 N ATOM 1594 CA GLY A 129 3.329 1.558 -4.474 1.00 0.00 C ATOM 1595 C GLY A 129 2.742 2.940 -4.301 1.00 0.00 C ATOM 1596 O GLY A 129 1.796 3.320 -4.995 1.00 0.00 O ATOM 0 H GLY A 129 1.825 0.957 -5.786 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.702 1.201 -3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 129 4.184 1.611 -5.148 1.00 0.00 H new ATOM 1600 N LEU A 130 3.307 3.691 -3.374 1.00 0.00 N ATOM 1601 CA LEU A 130 2.851 5.041 -3.097 1.00 0.00 C ATOM 1602 C LEU A 130 3.947 6.033 -3.459 1.00 0.00 C ATOM 1603 O LEU A 130 5.119 5.814 -3.151 1.00 0.00 O ATOM 1604 CB LEU A 130 2.472 5.172 -1.617 1.00 0.00 C ATOM 1605 CG LEU A 130 1.949 6.546 -1.175 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.677 6.912 -1.922 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.698 6.555 0.325 1.00 0.00 C ATOM 0 H LEU A 130 4.089 3.386 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 130 1.968 5.257 -3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.711 4.425 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.347 4.928 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 130 2.709 7.291 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.328 7.890 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.880 6.944 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.091 6.165 -1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.327 7.535 0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.958 5.795 0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.629 6.342 0.851 1.00 0.00 H new ATOM 1619 N THR A 131 3.576 7.099 -4.145 1.00 0.00 N ATOM 1620 CA THR A 131 4.528 8.126 -4.526 1.00 0.00 C ATOM 1621 C THR A 131 4.231 9.433 -3.796 1.00 0.00 C ATOM 1622 O THR A 131 3.343 10.185 -4.197 1.00 0.00 O ATOM 1623 CB THR A 131 4.487 8.370 -6.048 1.00 0.00 C ATOM 1624 OG1 THR A 131 4.589 7.119 -6.743 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.621 9.287 -6.487 1.00 0.00 C ATOM 0 H THR A 131 2.619 7.276 -4.450 1.00 0.00 H new ATOM 0 HA THR A 131 5.523 7.778 -4.247 1.00 0.00 H new ATOM 0 HB THR A 131 3.539 8.852 -6.289 1.00 0.00 H new ATOM 0 HG1 THR A 131 4.561 7.278 -7.710 1.00 0.00 H new ATOM 0 HG21 THR A 131 5.567 9.442 -7.565 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.531 10.247 -5.978 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.577 8.830 -6.233 1.00 0.00 H new ATOM 1633 N CYS A 132 4.958 9.690 -2.721 1.00 0.00 N ATOM 1634 CA CYS A 132 4.789 10.927 -1.964 1.00 0.00 C ATOM 1635 C CYS A 132 5.770 11.981 -2.471 1.00 0.00 C ATOM 1636 O CYS A 132 6.908 11.661 -2.819 1.00 0.00 O ATOM 1637 CB CYS A 132 5.019 10.672 -0.469 1.00 0.00 C ATOM 1638 SG CYS A 132 4.122 9.228 0.187 1.00 0.00 S ATOM 0 H CYS A 132 5.671 9.062 -2.350 1.00 0.00 H new ATOM 0 HA CYS A 132 3.770 11.289 -2.103 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.086 10.533 -0.295 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.718 11.558 0.090 1.00 0.00 H new ATOM 1643 N LEU A 133 5.324 13.230 -2.531 1.00 0.00 N ATOM 1644 CA LEU A 133 6.166 14.319 -3.011 1.00 0.00 C ATOM 1645 C LEU A 133 7.320 14.586 -2.049 1.00 0.00 C ATOM 1646 O LEU A 133 7.189 14.398 -0.842 1.00 0.00 O ATOM 1647 CB LEU A 133 5.339 15.594 -3.191 1.00 0.00 C ATOM 1648 CG LEU A 133 4.326 15.561 -4.336 1.00 0.00 C ATOM 1649 CD1 LEU A 133 3.491 16.829 -4.344 1.00 0.00 C ATOM 1650 CD2 LEU A 133 5.035 15.394 -5.671 1.00 0.00 C ATOM 0 H LEU A 133 4.384 13.514 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 133 6.580 14.020 -3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 133 4.806 15.795 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.020 16.429 -3.355 1.00 0.00 H new ATOM 0 HG LEU A 133 3.665 14.708 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 133 2.776 16.788 -5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.954 16.917 -3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.143 17.693 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 133 4.298 15.373 -6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 133 5.718 16.229 -5.827 1.00 0.00 H new ATOM 0 HD23 LEU A 133 5.598 14.460 -5.670 1.00 0.00 H new ATOM 1662 N GLU A 134 8.452 15.001 -2.593 1.00 0.00 N ATOM 1663 CA GLU A 134 9.593 15.394 -1.780 1.00 0.00 C ATOM 1664 C GLU A 134 10.055 16.781 -2.194 1.00 0.00 C ATOM 1665 O GLU A 134 10.756 16.888 -3.222 1.00 0.00 O ATOM 1666 CB GLU A 134 10.743 14.393 -1.928 1.00 0.00 C ATOM 1667 CG GLU A 134 10.390 12.976 -1.511 1.00 0.00 C ATOM 1668 CD GLU A 134 11.544 12.016 -1.691 1.00 0.00 C ATOM 1669 OE1 GLU A 134 12.394 11.925 -0.788 1.00 0.00 O ATOM 1670 OE2 GLU A 134 11.608 11.345 -2.742 1.00 0.00 O ATOM 1671 OXT GLU A 134 9.687 17.763 -1.516 1.00 0.00 O ATOM 0 H GLU A 134 8.606 15.075 -3.599 1.00 0.00 H new ATOM 0 HA GLU A 134 9.288 15.406 -0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.070 14.383 -2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 134 11.588 14.736 -1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.080 12.975 -0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 134 9.538 12.630 -2.097 1.00 0.00 H new