USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 795 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 GLN : amide:sc= -0.0215 X(o=-0.021,f=-0.016) USER MOD Set 1.2: A 131 THR OG1 : rot 180:sc=0.000408 USER MOD Set 2.1: A 122 ASN : amide:sc= -0.205 K(o=-0.2,f=-2.9!) USER MOD Set 2.2: A 124 MET CE :methyl 158:sc= 0 (180deg=0) USER MOD Set 3.1: A 113 SER OG : rot 172:sc= 1.08 USER MOD Set 3.2: A 115 SER OG : rot -93:sc= 1.27 USER MOD Set 4.1: A 38 THR OG1 : rot 140:sc= -0.333 USER MOD Set 4.2: A 47 GLN : amide:sc= 1.2 K(o=2.4,f=0.3!) USER MOD Set 4.3: A 58 MET CE :methyl 163:sc= -0.285 (180deg=-0.824) USER MOD Set 4.4: A 98 THR OG1 : rot -160:sc= 0.756 USER MOD Set 4.5: A 100 THR OG1 : rot 145:sc= 1.04 USER MOD Set 5.1: A 70 GLN : amide:sc= 0.938 K(o=2,f=-0.34) USER MOD Set 5.2: A 91 SER OG : rot -94:sc= 1.11 USER MOD Set 6.1: A 29 TYR OH : rot -10:sc= 0.857 USER MOD Set 6.2: A 76 GLN : amide:sc= 1.76 K(o=2.6,f=-0.59) USER MOD Single : A 27 SER OG : rot 46:sc= 0.104 USER MOD Single : A 34 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.2) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 42 SER OG : rot -177:sc= 1.32 USER MOD Single : A 43 LYS NZ :NH3+ -164:sc= -0.0863 (180deg=-0.448) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 173:sc=-0.00633 (180deg=-0.101) USER MOD Single : A 57 HIS : no HD1:sc= -1.31 X(o=-1.3,f=-1.4) USER MOD Single : A 61 SER OG : rot 170:sc= -1.09 USER MOD Single : A 62 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.12) USER MOD Single : A 63 SER OG : rot 103:sc= 2.24 USER MOD Single : A 67 SER OG : rot 180:sc= 0.00335 USER MOD Single : A 68 SER OG : rot 62:sc= 0.0732 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 63:sc= 1.27 USER MOD Single : A 79 LYS NZ :NH3+ 176:sc= -0.0883 (180deg=-0.316) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.113 F(o=-1.1,f=-0.11) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 135:sc= -0.541 (180deg=-2.48!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 138:sc= 0.447 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0.213 K(o=0.21,f=-4.4!) USER MOD Single : A 116 ASN : amide:sc=-0.00855 K(o=-0.0085,f=-0.96) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HE2:sc= -0.892 X(o=-0.89,f=-1.3) USER MOD Single : A 120 SER OG : rot 120:sc= -0.0271 USER MOD Single : A 126 HIS :FLIP no HD1:sc= -0.671 F(o=-4.1!,f=-0.67) USER MOD Single : A 127 SER OG : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -7.091 -1.521 12.416 1.00 0.00 N ATOM 24 CA LEU A 26 -6.170 -1.472 11.286 1.00 0.00 C ATOM 25 C LEU A 26 -6.730 -0.620 10.151 1.00 0.00 C ATOM 26 O LEU A 26 -7.451 -1.110 9.276 1.00 0.00 O ATOM 27 CB LEU A 26 -5.851 -2.879 10.771 1.00 0.00 C ATOM 28 CG LEU A 26 -5.177 -3.819 11.773 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.844 -5.147 11.109 1.00 0.00 C ATOM 30 CD2 LEU A 26 -3.918 -3.188 12.349 1.00 0.00 C ATOM 0 HA LEU A 26 -5.248 -1.013 11.642 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.779 -3.342 10.436 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.206 -2.788 9.897 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.873 -3.999 12.592 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.365 -5.806 11.833 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.760 -5.612 10.746 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.168 -4.976 10.272 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.458 -3.876 13.058 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.216 -2.975 11.543 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.177 -2.260 12.859 1.00 0.00 H new ATOM 42 N SER A 27 -6.402 0.655 10.190 1.00 0.00 N ATOM 43 CA SER A 27 -6.769 1.592 9.143 1.00 0.00 C ATOM 44 C SER A 27 -5.758 2.727 9.137 1.00 0.00 C ATOM 45 O SER A 27 -5.196 3.058 10.183 1.00 0.00 O ATOM 46 CB SER A 27 -8.182 2.139 9.382 1.00 0.00 C ATOM 47 OG SER A 27 -8.582 3.017 8.342 1.00 0.00 O ATOM 0 H SER A 27 -5.870 1.075 10.952 1.00 0.00 H new ATOM 0 HA SER A 27 -6.765 1.085 8.178 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.887 1.311 9.452 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.213 2.665 10.336 1.00 0.00 H new ATOM 0 HG SER A 27 -8.362 2.618 7.474 1.00 0.00 H new ATOM 53 N TRP A 28 -5.521 3.336 7.978 1.00 0.00 N ATOM 54 CA TRP A 28 -4.535 4.412 7.888 1.00 0.00 C ATOM 55 C TRP A 28 -5.117 5.742 8.378 1.00 0.00 C ATOM 56 O TRP A 28 -4.736 6.820 7.916 1.00 0.00 O ATOM 57 CB TRP A 28 -3.949 4.544 6.466 1.00 0.00 C ATOM 58 CG TRP A 28 -4.951 4.641 5.348 1.00 0.00 C ATOM 59 CD1 TRP A 28 -6.196 5.201 5.386 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.762 4.183 4.003 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.796 5.107 4.152 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.936 4.484 3.288 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.715 3.541 3.336 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -6.089 4.168 1.941 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.869 3.228 1.999 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.049 3.542 1.314 1.00 0.00 C ATOM 0 H TRP A 28 -5.989 3.109 7.101 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.710 4.146 8.548 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.314 5.429 6.437 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.306 3.684 6.278 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.644 5.652 6.259 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.729 5.446 3.919 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.802 3.294 3.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.998 4.409 1.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.066 2.733 1.474 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.139 3.284 0.269 1.00 0.00 H new ATOM 77 N TYR A 29 -6.056 5.641 9.309 1.00 0.00 N ATOM 78 CA TYR A 29 -6.598 6.793 10.010 1.00 0.00 C ATOM 79 C TYR A 29 -6.411 6.621 11.516 1.00 0.00 C ATOM 80 O TYR A 29 -6.857 7.456 12.306 1.00 0.00 O ATOM 81 CB TYR A 29 -8.086 6.974 9.695 1.00 0.00 C ATOM 82 CG TYR A 29 -8.362 7.653 8.373 1.00 0.00 C ATOM 83 CD1 TYR A 29 -8.406 6.928 7.190 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.584 9.023 8.312 1.00 0.00 C ATOM 85 CE1 TYR A 29 -8.658 7.551 5.983 1.00 0.00 C ATOM 86 CE2 TYR A 29 -8.838 9.650 7.109 1.00 0.00 C ATOM 87 CZ TYR A 29 -8.872 8.911 5.948 1.00 0.00 C ATOM 88 OH TYR A 29 -9.122 9.533 4.747 1.00 0.00 O ATOM 0 H TYR A 29 -6.464 4.752 9.599 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.061 7.680 9.674 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.567 5.996 9.696 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.546 7.557 10.493 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.241 5.861 7.214 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.557 9.607 9.220 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.687 6.974 5.071 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.009 10.716 7.079 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.962 8.904 4.013 1.00 0.00 H new ATOM 98 N ASP A 30 -5.751 5.533 11.902 1.00 0.00 N ATOM 99 CA ASP A 30 -5.575 5.194 13.311 1.00 0.00 C ATOM 100 C ASP A 30 -4.134 5.407 13.757 1.00 0.00 C ATOM 101 O ASP A 30 -3.195 5.218 12.983 1.00 0.00 O ATOM 102 CB ASP A 30 -5.983 3.742 13.568 1.00 0.00 C ATOM 103 CG ASP A 30 -7.486 3.552 13.572 1.00 0.00 C ATOM 104 OD1 ASP A 30 -8.072 3.358 12.491 1.00 0.00 O ATOM 105 OD2 ASP A 30 -8.090 3.604 14.667 1.00 0.00 O ATOM 0 H ASP A 30 -5.327 4.868 11.255 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.217 5.857 13.891 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.542 3.103 12.803 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.577 3.418 14.526 1.00 0.00 H new ATOM 110 N PRO A 31 -3.951 5.783 15.035 1.00 0.00 N ATOM 111 CA PRO A 31 -2.639 6.116 15.601 1.00 0.00 C ATOM 112 C PRO A 31 -1.754 4.892 15.827 1.00 0.00 C ATOM 113 O PRO A 31 -0.575 5.024 16.160 1.00 0.00 O ATOM 114 CB PRO A 31 -2.973 6.770 16.951 1.00 0.00 C ATOM 115 CG PRO A 31 -4.450 6.968 16.956 1.00 0.00 C ATOM 116 CD PRO A 31 -5.013 5.928 16.038 1.00 0.00 C ATOM 0 HA PRO A 31 -2.075 6.755 14.922 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.661 6.135 17.780 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.451 7.720 17.064 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.854 6.859 17.962 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.710 7.970 16.615 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.211 4.991 16.559 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.954 6.248 15.590 1.00 0.00 H new ATOM 124 N ASP A 32 -2.326 3.708 15.668 1.00 0.00 N ATOM 125 CA ASP A 32 -1.582 2.468 15.869 1.00 0.00 C ATOM 126 C ASP A 32 -1.312 1.774 14.543 1.00 0.00 C ATOM 127 O ASP A 32 -1.042 0.575 14.506 1.00 0.00 O ATOM 128 CB ASP A 32 -2.336 1.517 16.802 1.00 0.00 C ATOM 129 CG ASP A 32 -2.443 2.041 18.219 1.00 0.00 C ATOM 130 OD1 ASP A 32 -1.392 2.224 18.874 1.00 0.00 O ATOM 131 OD2 ASP A 32 -3.580 2.262 18.690 1.00 0.00 O ATOM 0 H ASP A 32 -3.302 3.577 15.401 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.630 2.731 16.331 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.337 1.347 16.407 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.830 0.552 16.814 1.00 0.00 H new ATOM 136 N PHE A 33 -1.397 2.526 13.458 1.00 0.00 N ATOM 137 CA PHE A 33 -1.124 1.979 12.140 1.00 0.00 C ATOM 138 C PHE A 33 0.319 2.267 11.731 1.00 0.00 C ATOM 139 O PHE A 33 0.726 3.425 11.626 1.00 0.00 O ATOM 140 CB PHE A 33 -2.096 2.569 11.114 1.00 0.00 C ATOM 141 CG PHE A 33 -1.911 2.038 9.720 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.314 0.751 9.392 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.341 2.829 8.736 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.153 0.268 8.108 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.175 2.349 7.451 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.582 1.068 7.136 1.00 0.00 C ATOM 0 H PHE A 33 -1.652 3.514 13.464 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.263 0.898 12.175 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.117 2.365 11.437 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.977 3.652 11.098 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.758 0.121 10.148 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.023 3.833 8.976 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.473 -0.734 7.864 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.727 2.975 6.694 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.454 0.692 6.132 1.00 0.00 H new ATOM 156 N GLN A 34 1.094 1.209 11.526 1.00 0.00 N ATOM 157 CA GLN A 34 2.475 1.348 11.085 1.00 0.00 C ATOM 158 C GLN A 34 2.626 0.885 9.641 1.00 0.00 C ATOM 159 O GLN A 34 2.109 -0.167 9.259 1.00 0.00 O ATOM 160 CB GLN A 34 3.430 0.556 11.987 1.00 0.00 C ATOM 161 CG GLN A 34 3.574 1.129 13.389 1.00 0.00 C ATOM 162 CD GLN A 34 2.435 0.742 14.314 1.00 0.00 C ATOM 163 OE1 GLN A 34 1.867 -0.341 14.201 1.00 0.00 O ATOM 164 NE2 GLN A 34 2.095 1.630 15.234 1.00 0.00 N ATOM 0 H GLN A 34 0.789 0.245 11.658 1.00 0.00 H new ATOM 0 HA GLN A 34 2.736 2.404 11.150 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.075 -0.472 12.060 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.413 0.521 11.517 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.515 0.787 13.819 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.629 2.216 13.326 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.593 2.518 15.294 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.335 1.426 15.883 1.00 0.00 H new ATOM 173 N ALA A 35 3.334 1.672 8.844 1.00 0.00 N ATOM 174 CA ALA A 35 3.552 1.344 7.444 1.00 0.00 C ATOM 175 C ALA A 35 4.889 1.892 6.966 1.00 0.00 C ATOM 176 O ALA A 35 5.481 2.756 7.613 1.00 0.00 O ATOM 177 CB ALA A 35 2.418 1.892 6.589 1.00 0.00 C ATOM 0 H ALA A 35 3.768 2.545 9.145 1.00 0.00 H new ATOM 0 HA ALA A 35 3.571 0.259 7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.595 1.639 5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.474 1.455 6.913 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.372 2.976 6.697 1.00 0.00 H new ATOM 183 N ARG A 36 5.362 1.373 5.843 1.00 0.00 N ATOM 184 CA ARG A 36 6.610 1.819 5.248 1.00 0.00 C ATOM 185 C ARG A 36 6.570 1.598 3.743 1.00 0.00 C ATOM 186 O ARG A 36 5.691 0.906 3.229 1.00 0.00 O ATOM 187 CB ARG A 36 7.796 1.049 5.834 1.00 0.00 C ATOM 188 CG ARG A 36 7.755 -0.442 5.533 1.00 0.00 C ATOM 189 CD ARG A 36 9.111 -1.100 5.739 1.00 0.00 C ATOM 190 NE ARG A 36 10.106 -0.596 4.795 1.00 0.00 N ATOM 191 CZ ARG A 36 11.418 -0.702 4.973 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.902 -1.227 6.088 1.00 0.00 N ATOM 193 NH2 ARG A 36 12.254 -0.259 4.048 1.00 0.00 N ATOM 0 H ARG A 36 4.892 0.633 5.321 1.00 0.00 H new ATOM 0 HA ARG A 36 6.733 2.880 5.466 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.722 1.467 5.439 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.816 1.194 6.914 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.017 -0.922 6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.429 -0.596 4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.452 -0.919 6.758 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.013 -2.179 5.623 1.00 0.00 H new ATOM 0 HE ARG A 36 9.773 -0.135 3.948 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.266 -1.553 6.816 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.911 -1.306 6.219 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.892 0.166 3.194 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.261 -0.342 4.189 1.00 0.00 H new ATOM 206 N LEU A 37 7.515 2.197 3.043 1.00 0.00 N ATOM 207 CA LEU A 37 7.686 1.951 1.624 1.00 0.00 C ATOM 208 C LEU A 37 8.936 1.110 1.411 1.00 0.00 C ATOM 209 O LEU A 37 9.893 1.200 2.187 1.00 0.00 O ATOM 210 CB LEU A 37 7.792 3.271 0.861 1.00 0.00 C ATOM 211 CG LEU A 37 6.541 4.152 0.917 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.774 5.460 0.187 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.347 3.429 0.316 1.00 0.00 C ATOM 0 H LEU A 37 8.180 2.862 3.438 1.00 0.00 H new ATOM 0 HA LEU A 37 6.819 1.412 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.635 3.837 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.018 3.053 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 37 6.329 4.368 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.873 6.071 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.602 5.994 0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.015 5.256 -0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.469 4.073 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.557 3.182 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.157 2.513 0.875 1.00 0.00 H new ATOM 225 N THR A 38 8.910 0.271 0.389 1.00 0.00 N ATOM 226 CA THR A 38 10.037 -0.595 0.086 1.00 0.00 C ATOM 227 C THR A 38 11.155 0.190 -0.598 1.00 0.00 C ATOM 228 O THR A 38 10.938 1.288 -1.115 1.00 0.00 O ATOM 229 CB THR A 38 9.604 -1.781 -0.794 1.00 0.00 C ATOM 230 OG1 THR A 38 8.981 -1.305 -1.994 1.00 0.00 O ATOM 231 CG2 THR A 38 8.639 -2.685 -0.037 1.00 0.00 C ATOM 0 H THR A 38 8.118 0.171 -0.246 1.00 0.00 H new ATOM 0 HA THR A 38 10.415 -0.989 1.029 1.00 0.00 H new ATOM 0 HB THR A 38 10.492 -2.356 -1.055 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.269 -1.855 -2.752 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.344 -3.518 -0.675 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.127 -3.069 0.859 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.755 -2.115 0.248 1.00 0.00 H new ATOM 239 N ARG A 39 12.348 -0.389 -0.611 1.00 0.00 N ATOM 240 CA ARG A 39 13.544 0.316 -1.051 1.00 0.00 C ATOM 241 C ARG A 39 13.703 0.259 -2.571 1.00 0.00 C ATOM 242 O ARG A 39 14.486 -0.529 -3.108 1.00 0.00 O ATOM 243 CB ARG A 39 14.779 -0.257 -0.340 1.00 0.00 C ATOM 244 CG ARG A 39 14.879 -1.774 -0.404 1.00 0.00 C ATOM 245 CD ARG A 39 16.007 -2.297 0.468 1.00 0.00 C ATOM 246 NE ARG A 39 17.314 -1.804 0.037 1.00 0.00 N ATOM 247 CZ ARG A 39 18.452 -2.469 0.212 1.00 0.00 C ATOM 248 NH1 ARG A 39 18.442 -3.665 0.786 1.00 0.00 N ATOM 249 NH2 ARG A 39 19.600 -1.946 -0.185 1.00 0.00 N ATOM 0 H ARG A 39 12.513 -1.352 -0.320 1.00 0.00 H new ATOM 0 HA ARG A 39 13.442 1.367 -0.782 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.675 0.175 -0.785 1.00 0.00 H new ATOM 0 HB3 ARG A 39 14.761 0.052 0.705 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.935 -2.215 -0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 39 15.042 -2.085 -1.436 1.00 0.00 H new ATOM 0 HD2 ARG A 39 15.832 -2.000 1.502 1.00 0.00 H new ATOM 0 HD3 ARG A 39 16.006 -3.387 0.445 1.00 0.00 H new ATOM 0 HE ARG A 39 17.355 -0.896 -0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 39 17.560 -4.076 1.094 1.00 0.00 H new ATOM 0 HH12 ARG A 39 19.316 -4.174 0.920 1.00 0.00 H new ATOM 0 HH21 ARG A 39 19.616 -1.027 -0.628 1.00 0.00 H new ATOM 0 HH22 ARG A 39 20.470 -2.461 -0.048 1.00 0.00 H new ATOM 262 N SER A 40 12.939 1.094 -3.261 1.00 0.00 N ATOM 263 CA SER A 40 13.052 1.213 -4.707 1.00 0.00 C ATOM 264 C SER A 40 14.192 2.163 -5.069 1.00 0.00 C ATOM 265 O SER A 40 15.082 1.812 -5.844 1.00 0.00 O ATOM 266 CB SER A 40 11.733 1.709 -5.311 1.00 0.00 C ATOM 267 OG SER A 40 11.799 1.745 -6.729 1.00 0.00 O ATOM 0 H SER A 40 12.233 1.700 -2.842 1.00 0.00 H new ATOM 0 HA SER A 40 13.270 0.228 -5.120 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.918 1.055 -4.999 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.507 2.705 -4.929 1.00 0.00 H new ATOM 0 HG SER A 40 10.945 2.063 -7.088 1.00 0.00 H new ATOM 273 N ASN A 41 14.160 3.367 -4.503 1.00 0.00 N ATOM 274 CA ASN A 41 15.206 4.359 -4.741 1.00 0.00 C ATOM 275 C ASN A 41 15.237 5.373 -3.607 1.00 0.00 C ATOM 276 O ASN A 41 16.246 5.532 -2.925 1.00 0.00 O ATOM 277 CB ASN A 41 14.982 5.080 -6.075 1.00 0.00 C ATOM 278 CG ASN A 41 16.065 6.106 -6.374 1.00 0.00 C ATOM 279 OD1 ASN A 41 15.952 7.273 -5.998 1.00 0.00 O ATOM 280 ND2 ASN A 41 17.113 5.683 -7.065 1.00 0.00 N ATOM 0 H ASN A 41 13.420 3.680 -3.875 1.00 0.00 H new ATOM 0 HA ASN A 41 16.163 3.839 -4.784 1.00 0.00 H new ATOM 0 HB2 ASN A 41 14.950 4.346 -6.880 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.012 5.576 -6.057 1.00 0.00 H new ATOM 0 HD21 ASN A 41 17.863 6.332 -7.303 1.00 0.00 H new ATOM 0 HD22 ASN A 41 17.170 4.708 -7.359 1.00 0.00 H new ATOM 287 N SER A 42 14.119 6.050 -3.411 1.00 0.00 N ATOM 288 CA SER A 42 13.985 7.022 -2.344 1.00 0.00 C ATOM 289 C SER A 42 12.773 6.644 -1.498 1.00 0.00 C ATOM 290 O SER A 42 11.820 6.059 -2.012 1.00 0.00 O ATOM 291 CB SER A 42 13.830 8.425 -2.943 1.00 0.00 C ATOM 292 OG SER A 42 14.242 9.425 -2.028 1.00 0.00 O ATOM 0 H SER A 42 13.283 5.941 -3.985 1.00 0.00 H new ATOM 0 HA SER A 42 14.873 7.026 -1.711 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.420 8.500 -3.856 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.789 8.591 -3.221 1.00 0.00 H new ATOM 0 HG SER A 42 14.082 10.310 -2.417 1.00 0.00 H new ATOM 298 N LYS A 43 12.807 6.971 -0.210 1.00 0.00 N ATOM 299 CA LYS A 43 11.799 6.473 0.730 1.00 0.00 C ATOM 300 C LYS A 43 10.439 7.135 0.523 1.00 0.00 C ATOM 301 O LYS A 43 9.468 6.766 1.173 1.00 0.00 O ATOM 302 CB LYS A 43 12.241 6.661 2.187 1.00 0.00 C ATOM 303 CG LYS A 43 12.344 8.114 2.624 1.00 0.00 C ATOM 304 CD LYS A 43 13.777 8.618 2.574 1.00 0.00 C ATOM 305 CE LYS A 43 14.652 7.906 3.593 1.00 0.00 C ATOM 306 NZ LYS A 43 14.126 8.067 4.978 1.00 0.00 N ATOM 0 H LYS A 43 13.515 7.574 0.208 1.00 0.00 H new ATOM 0 HA LYS A 43 11.698 5.407 0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 43 11.535 6.146 2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.210 6.182 2.326 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.718 8.732 1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.958 8.217 3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.183 8.466 1.574 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.794 9.691 2.765 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.709 6.846 3.346 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.667 8.301 3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.867 7.814 5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.840 9.056 5.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.304 7.444 5.112 1.00 0.00 H new ATOM 319 N CYS A 44 10.372 8.120 -0.361 1.00 0.00 N ATOM 320 CA CYS A 44 9.103 8.759 -0.678 1.00 0.00 C ATOM 321 C CYS A 44 8.413 8.072 -1.852 1.00 0.00 C ATOM 322 O CYS A 44 7.294 8.422 -2.205 1.00 0.00 O ATOM 323 CB CYS A 44 9.297 10.246 -0.986 1.00 0.00 C ATOM 324 SG CYS A 44 9.845 11.246 0.441 1.00 0.00 S ATOM 0 H CYS A 44 11.175 8.492 -0.868 1.00 0.00 H new ATOM 0 HA CYS A 44 8.466 8.663 0.201 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.029 10.346 -1.787 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.358 10.653 -1.360 1.00 0.00 H new ATOM 329 N GLN A 45 9.070 7.088 -2.457 1.00 0.00 N ATOM 330 CA GLN A 45 8.476 6.379 -3.582 1.00 0.00 C ATOM 331 C GLN A 45 8.883 4.914 -3.585 1.00 0.00 C ATOM 332 O GLN A 45 10.056 4.576 -3.755 1.00 0.00 O ATOM 333 CB GLN A 45 8.864 7.030 -4.913 1.00 0.00 C ATOM 334 CG GLN A 45 8.285 6.318 -6.129 1.00 0.00 C ATOM 335 CD GLN A 45 8.609 7.016 -7.434 1.00 0.00 C ATOM 336 OE1 GLN A 45 9.659 7.641 -7.579 1.00 0.00 O ATOM 337 NE2 GLN A 45 7.696 6.932 -8.390 1.00 0.00 N ATOM 0 H GLN A 45 10.001 6.767 -2.191 1.00 0.00 H new ATOM 0 HA GLN A 45 7.394 6.439 -3.467 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.526 8.066 -4.914 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.951 7.049 -4.996 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.669 5.299 -6.163 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.203 6.247 -6.020 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.838 6.404 -8.231 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.851 7.395 -9.285 1.00 0.00 H new ATOM 346 N GLY A 46 7.902 4.052 -3.404 1.00 0.00 N ATOM 347 CA GLY A 46 8.148 2.630 -3.419 1.00 0.00 C ATOM 348 C GLY A 46 6.868 1.850 -3.231 1.00 0.00 C ATOM 349 O GLY A 46 5.777 2.396 -3.394 1.00 0.00 O ATOM 0 H GLY A 46 6.929 4.314 -3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.612 2.349 -4.364 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.853 2.372 -2.629 1.00 0.00 H new ATOM 353 N GLN A 47 6.991 0.582 -2.884 1.00 0.00 N ATOM 354 CA GLN A 47 5.828 -0.272 -2.703 1.00 0.00 C ATOM 355 C GLN A 47 5.378 -0.235 -1.251 1.00 0.00 C ATOM 356 O GLN A 47 6.204 -0.232 -0.337 1.00 0.00 O ATOM 357 CB GLN A 47 6.159 -1.696 -3.143 1.00 0.00 C ATOM 358 CG GLN A 47 6.596 -1.775 -4.598 1.00 0.00 C ATOM 359 CD GLN A 47 7.424 -3.005 -4.896 1.00 0.00 C ATOM 360 OE1 GLN A 47 8.126 -3.521 -4.026 1.00 0.00 O ATOM 361 NE2 GLN A 47 7.362 -3.475 -6.129 1.00 0.00 N ATOM 0 H GLN A 47 7.885 0.119 -2.721 1.00 0.00 H new ATOM 0 HA GLN A 47 5.007 0.094 -3.320 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.951 -2.093 -2.508 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.285 -2.330 -2.996 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.714 -1.773 -5.238 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.173 -0.885 -4.848 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.767 -3.017 -6.820 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.909 -4.296 -6.390 1.00 0.00 H new ATOM 370 N LEU A 48 4.072 -0.187 -1.047 1.00 0.00 N ATOM 371 CA LEU A 48 3.515 -0.045 0.290 1.00 0.00 C ATOM 372 C LEU A 48 3.595 -1.356 1.063 1.00 0.00 C ATOM 373 O LEU A 48 3.076 -2.384 0.625 1.00 0.00 O ATOM 374 CB LEU A 48 2.058 0.426 0.214 1.00 0.00 C ATOM 375 CG LEU A 48 1.401 0.776 1.557 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.101 1.956 2.217 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.075 1.078 1.359 1.00 0.00 C ATOM 0 H LEU A 48 3.376 -0.244 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 48 4.106 0.702 0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.012 1.303 -0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.468 -0.354 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 48 1.498 -0.086 2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.615 2.183 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.147 1.706 2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.043 2.826 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.528 1.324 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.186 1.922 0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.572 0.204 0.937 1.00 0.00 H new ATOM 389 N GLU A 49 4.255 -1.305 2.207 1.00 0.00 N ATOM 390 CA GLU A 49 4.342 -2.444 3.103 1.00 0.00 C ATOM 391 C GLU A 49 3.812 -2.029 4.468 1.00 0.00 C ATOM 392 O GLU A 49 4.245 -1.024 5.032 1.00 0.00 O ATOM 393 CB GLU A 49 5.791 -2.932 3.202 1.00 0.00 C ATOM 394 CG GLU A 49 5.945 -4.286 3.875 1.00 0.00 C ATOM 395 CD GLU A 49 7.382 -4.764 3.885 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.193 -4.211 4.655 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.708 -5.699 3.121 1.00 0.00 O ATOM 0 H GLU A 49 4.745 -0.474 2.540 1.00 0.00 H new ATOM 0 HA GLU A 49 3.742 -3.269 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.214 -2.987 2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.374 -2.195 3.754 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.578 -4.224 4.900 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.325 -5.018 3.358 1.00 0.00 H new ATOM 404 N VAL A 50 2.858 -2.784 4.985 1.00 0.00 N ATOM 405 CA VAL A 50 2.160 -2.389 6.201 1.00 0.00 C ATOM 406 C VAL A 50 2.322 -3.421 7.308 1.00 0.00 C ATOM 407 O VAL A 50 2.583 -4.600 7.049 1.00 0.00 O ATOM 408 CB VAL A 50 0.654 -2.152 5.944 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.450 -1.054 4.910 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.035 -3.437 5.508 1.00 0.00 C ATOM 0 H VAL A 50 2.549 -3.670 4.586 1.00 0.00 H new ATOM 0 HA VAL A 50 2.617 -1.453 6.523 1.00 0.00 H new ATOM 0 HB VAL A 50 0.200 -1.828 6.881 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.617 -0.904 4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.895 -0.127 5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.925 -1.344 3.973 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.093 -3.242 5.334 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.423 -3.801 4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.071 -4.190 6.289 1.00 0.00 H new ATOM 420 N TYR A 51 2.184 -2.954 8.539 1.00 0.00 N ATOM 421 CA TYR A 51 2.212 -3.821 9.705 1.00 0.00 C ATOM 422 C TYR A 51 0.821 -4.389 9.958 1.00 0.00 C ATOM 423 O TYR A 51 -0.095 -3.667 10.354 1.00 0.00 O ATOM 424 CB TYR A 51 2.710 -3.040 10.934 1.00 0.00 C ATOM 425 CG TYR A 51 2.601 -3.798 12.246 1.00 0.00 C ATOM 426 CD1 TYR A 51 3.565 -4.728 12.625 1.00 0.00 C ATOM 427 CD2 TYR A 51 1.532 -3.575 13.111 1.00 0.00 C ATOM 428 CE1 TYR A 51 3.465 -5.411 13.824 1.00 0.00 C ATOM 429 CE2 TYR A 51 1.427 -4.256 14.309 1.00 0.00 C ATOM 430 CZ TYR A 51 2.395 -5.171 14.662 1.00 0.00 C ATOM 431 OH TYR A 51 2.292 -5.850 15.860 1.00 0.00 O ATOM 0 H TYR A 51 2.050 -1.967 8.757 1.00 0.00 H new ATOM 0 HA TYR A 51 2.899 -4.647 9.522 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.752 -2.762 10.775 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.141 -2.114 11.015 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.404 -4.919 11.973 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.772 -2.857 12.841 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.222 -6.129 14.103 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.590 -4.072 14.966 1.00 0.00 H new ATOM 0 HH TYR A 51 1.481 -5.563 16.330 1.00 0.00 H new ATOM 441 N LEU A 52 0.661 -5.677 9.700 1.00 0.00 N ATOM 442 CA LEU A 52 -0.607 -6.348 9.932 1.00 0.00 C ATOM 443 C LEU A 52 -0.684 -6.847 11.367 1.00 0.00 C ATOM 444 O LEU A 52 0.149 -6.497 12.200 1.00 0.00 O ATOM 445 CB LEU A 52 -0.791 -7.529 8.972 1.00 0.00 C ATOM 446 CG LEU A 52 -0.897 -7.181 7.489 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.019 -8.453 6.670 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.090 -6.271 7.231 1.00 0.00 C ATOM 0 H LEU A 52 1.396 -6.280 9.329 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.403 -5.626 9.753 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.048 -8.212 9.105 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.692 -8.070 9.262 1.00 0.00 H new ATOM 0 HG LEU A 52 0.006 -6.649 7.191 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.094 -8.199 5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.139 -9.076 6.832 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.911 -8.999 6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.145 -6.036 6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.006 -6.775 7.540 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.974 -5.349 7.801 1.00 0.00 H new ATOM 460 N LYS A 53 -1.666 -7.686 11.645 1.00 0.00 N ATOM 461 CA LYS A 53 -1.855 -8.222 12.981 1.00 0.00 C ATOM 462 C LYS A 53 -0.706 -9.163 13.351 1.00 0.00 C ATOM 463 O LYS A 53 -0.455 -9.426 14.528 1.00 0.00 O ATOM 464 CB LYS A 53 -3.193 -8.957 13.049 1.00 0.00 C ATOM 465 CG LYS A 53 -3.726 -9.143 14.459 1.00 0.00 C ATOM 466 CD LYS A 53 -3.993 -7.808 15.142 1.00 0.00 C ATOM 467 CE LYS A 53 -5.002 -6.963 14.375 1.00 0.00 C ATOM 468 NZ LYS A 53 -6.312 -7.650 14.215 1.00 0.00 N ATOM 0 H LYS A 53 -2.348 -8.012 10.960 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.861 -7.401 13.698 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.929 -8.406 12.464 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.082 -9.935 12.582 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.647 -9.725 14.426 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.008 -9.715 15.047 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.363 -7.986 16.152 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.058 -7.257 15.238 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.152 -6.018 14.897 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.598 -6.723 13.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.999 -6.993 13.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.197 -8.476 13.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.657 -7.961 15.146 1.00 0.00 H new ATOM 481 N ASP A 54 -0.018 -9.669 12.337 1.00 0.00 N ATOM 482 CA ASP A 54 1.114 -10.561 12.548 1.00 0.00 C ATOM 483 C ASP A 54 2.445 -9.846 12.298 1.00 0.00 C ATOM 484 O ASP A 54 3.345 -9.890 13.139 1.00 0.00 O ATOM 485 CB ASP A 54 0.995 -11.801 11.648 1.00 0.00 C ATOM 486 CG ASP A 54 1.036 -11.472 10.165 1.00 0.00 C ATOM 487 OD1 ASP A 54 0.183 -10.683 9.700 1.00 0.00 O ATOM 488 OD2 ASP A 54 1.913 -12.007 9.458 1.00 0.00 O ATOM 0 H ASP A 54 -0.225 -9.476 11.357 1.00 0.00 H new ATOM 0 HA ASP A 54 1.097 -10.879 13.591 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.805 -12.491 11.883 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.062 -12.317 11.873 1.00 0.00 H new ATOM 493 N GLY A 55 2.572 -9.183 11.153 1.00 0.00 N ATOM 494 CA GLY A 55 3.821 -8.527 10.821 1.00 0.00 C ATOM 495 C GLY A 55 3.754 -7.758 9.517 1.00 0.00 C ATOM 496 O GLY A 55 2.669 -7.405 9.054 1.00 0.00 O ATOM 0 H GLY A 55 1.836 -9.089 10.453 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.092 -7.844 11.626 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.612 -9.274 10.756 1.00 0.00 H new ATOM 500 N TRP A 56 4.912 -7.523 8.912 1.00 0.00 N ATOM 501 CA TRP A 56 5.008 -6.671 7.731 1.00 0.00 C ATOM 502 C TRP A 56 4.639 -7.426 6.459 1.00 0.00 C ATOM 503 O TRP A 56 5.208 -8.474 6.152 1.00 0.00 O ATOM 504 CB TRP A 56 6.418 -6.088 7.602 1.00 0.00 C ATOM 505 CG TRP A 56 6.743 -5.079 8.662 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.439 -5.292 9.819 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.379 -3.695 8.664 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.524 -4.124 10.538 1.00 0.00 N ATOM 509 CE2 TRP A 56 6.883 -3.130 9.851 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.677 -2.877 7.778 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.703 -1.787 10.173 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.500 -1.546 8.098 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.011 -1.012 9.284 1.00 0.00 C ATOM 0 H TRP A 56 5.803 -7.912 9.221 1.00 0.00 H new ATOM 0 HA TRP A 56 4.294 -5.857 7.858 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.144 -6.899 7.648 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.522 -5.622 6.622 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.860 -6.239 10.123 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.990 -4.016 11.439 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.279 -3.278 6.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.095 -1.373 11.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.957 -0.905 7.419 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.856 0.034 9.503 1.00 0.00 H new ATOM 524 N HIS A 57 3.684 -6.882 5.720 1.00 0.00 N ATOM 525 CA HIS A 57 3.259 -7.470 4.460 1.00 0.00 C ATOM 526 C HIS A 57 3.028 -6.389 3.413 1.00 0.00 C ATOM 527 O HIS A 57 2.583 -5.286 3.733 1.00 0.00 O ATOM 528 CB HIS A 57 1.984 -8.295 4.651 1.00 0.00 C ATOM 529 CG HIS A 57 2.241 -9.703 5.106 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.052 -10.130 6.405 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.667 -10.788 4.416 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.352 -11.413 6.492 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.726 -11.835 5.299 1.00 0.00 N ATOM 0 H HIS A 57 3.186 -6.029 5.974 1.00 0.00 H new ATOM 0 HA HIS A 57 4.053 -8.130 4.112 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.345 -7.797 5.381 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.434 -8.321 3.710 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.914 -10.822 3.365 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.300 -12.015 7.387 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.013 -12.787 5.071 1.00 0.00 H new ATOM 541 N MET A 58 3.333 -6.717 2.166 1.00 0.00 N ATOM 542 CA MET A 58 3.191 -5.777 1.059 1.00 0.00 C ATOM 543 C MET A 58 1.733 -5.671 0.642 1.00 0.00 C ATOM 544 O MET A 58 1.027 -6.675 0.582 1.00 0.00 O ATOM 545 CB MET A 58 4.023 -6.231 -0.142 1.00 0.00 C ATOM 546 CG MET A 58 5.518 -6.299 0.119 1.00 0.00 C ATOM 547 SD MET A 58 6.430 -6.938 -1.302 1.00 0.00 S ATOM 548 CE MET A 58 5.911 -5.790 -2.576 1.00 0.00 C ATOM 0 H MET A 58 3.684 -7.635 1.892 1.00 0.00 H new ATOM 0 HA MET A 58 3.547 -4.803 1.395 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.677 -7.215 -0.457 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.842 -5.548 -0.972 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.887 -5.304 0.368 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.705 -6.934 0.985 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.596 -5.851 -3.422 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.904 -6.044 -2.906 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.917 -4.776 -2.176 1.00 0.00 H new ATOM 558 N VAL A 59 1.285 -4.463 0.342 1.00 0.00 N ATOM 559 CA VAL A 59 -0.092 -4.253 -0.078 1.00 0.00 C ATOM 560 C VAL A 59 -0.213 -4.409 -1.590 1.00 0.00 C ATOM 561 O VAL A 59 0.574 -3.843 -2.352 1.00 0.00 O ATOM 562 CB VAL A 59 -0.620 -2.860 0.342 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.066 -2.669 -0.097 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.499 -2.670 1.847 1.00 0.00 C ATOM 0 H VAL A 59 1.851 -3.616 0.381 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.700 -5.008 0.421 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.008 -2.108 -0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.412 -1.682 0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.131 -2.755 -1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.691 -3.433 0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.876 -1.684 2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.082 -3.436 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.547 -2.753 2.141 1.00 0.00 H new ATOM 574 N CYS A 60 -1.184 -5.199 -2.013 1.00 0.00 N ATOM 575 CA CYS A 60 -1.450 -5.403 -3.427 1.00 0.00 C ATOM 576 C CYS A 60 -2.452 -4.355 -3.897 1.00 0.00 C ATOM 577 O CYS A 60 -3.427 -4.077 -3.199 1.00 0.00 O ATOM 578 CB CYS A 60 -2.008 -6.816 -3.643 1.00 0.00 C ATOM 579 SG CYS A 60 -1.887 -7.441 -5.347 1.00 0.00 S ATOM 0 H CYS A 60 -1.807 -5.714 -1.391 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.530 -5.301 -4.002 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.480 -7.503 -2.982 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.056 -6.826 -3.342 1.00 0.00 H new ATOM 584 N SER A 61 -2.219 -3.767 -5.065 1.00 0.00 N ATOM 585 CA SER A 61 -3.078 -2.694 -5.563 1.00 0.00 C ATOM 586 C SER A 61 -4.442 -3.217 -6.019 1.00 0.00 C ATOM 587 O SER A 61 -5.310 -2.441 -6.410 1.00 0.00 O ATOM 588 CB SER A 61 -2.377 -1.944 -6.696 1.00 0.00 C ATOM 589 OG SER A 61 -1.738 -2.841 -7.588 1.00 0.00 O ATOM 0 H SER A 61 -1.446 -4.012 -5.684 1.00 0.00 H new ATOM 0 HA SER A 61 -3.261 -2.004 -4.739 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.104 -1.342 -7.241 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.641 -1.256 -6.279 1.00 0.00 H new ATOM 0 HG SER A 61 -1.438 -2.353 -8.383 1.00 0.00 H new ATOM 595 N GLN A 62 -4.630 -4.530 -5.951 1.00 0.00 N ATOM 596 CA GLN A 62 -5.922 -5.143 -6.248 1.00 0.00 C ATOM 597 C GLN A 62 -6.710 -5.313 -4.943 1.00 0.00 C ATOM 598 O GLN A 62 -7.385 -6.315 -4.710 1.00 0.00 O ATOM 599 CB GLN A 62 -5.713 -6.486 -6.979 1.00 0.00 C ATOM 600 CG GLN A 62 -6.995 -7.216 -7.375 1.00 0.00 C ATOM 601 CD GLN A 62 -8.013 -6.319 -8.055 1.00 0.00 C ATOM 602 OE1 GLN A 62 -8.859 -5.716 -7.396 1.00 0.00 O ATOM 603 NE2 GLN A 62 -7.957 -6.242 -9.375 1.00 0.00 N ATOM 0 H GLN A 62 -3.901 -5.194 -5.692 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.501 -4.501 -6.912 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.124 -6.304 -7.878 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.123 -7.142 -6.339 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.744 -8.040 -8.043 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.445 -7.654 -6.484 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.240 -6.757 -9.886 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.631 -5.667 -9.881 1.00 0.00 H new ATOM 612 N SER A 63 -6.607 -4.316 -4.080 1.00 0.00 N ATOM 613 CA SER A 63 -7.316 -4.329 -2.815 1.00 0.00 C ATOM 614 C SER A 63 -8.470 -3.337 -2.845 1.00 0.00 C ATOM 615 O SER A 63 -8.404 -2.324 -3.541 1.00 0.00 O ATOM 616 CB SER A 63 -6.363 -3.981 -1.668 1.00 0.00 C ATOM 617 OG SER A 63 -5.336 -4.950 -1.548 1.00 0.00 O ATOM 0 H SER A 63 -6.036 -3.485 -4.235 1.00 0.00 H new ATOM 0 HA SER A 63 -7.714 -5.331 -2.654 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.923 -2.999 -1.842 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.921 -3.919 -0.733 1.00 0.00 H new ATOM 0 HG SER A 63 -4.506 -4.596 -1.931 1.00 0.00 H new ATOM 623 N TRP A 64 -9.521 -3.646 -2.090 1.00 0.00 N ATOM 624 CA TRP A 64 -10.676 -2.760 -1.937 1.00 0.00 C ATOM 625 C TRP A 64 -11.377 -2.508 -3.273 1.00 0.00 C ATOM 626 O TRP A 64 -12.024 -1.475 -3.462 1.00 0.00 O ATOM 627 CB TRP A 64 -10.245 -1.427 -1.312 1.00 0.00 C ATOM 628 CG TRP A 64 -9.471 -1.589 -0.036 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.930 -2.096 1.145 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.100 -1.238 0.187 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.932 -2.080 2.085 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.799 -1.559 1.522 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.098 -0.684 -0.615 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.539 -1.346 2.073 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.847 -0.472 -0.065 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.579 -0.802 1.265 1.00 0.00 C ATOM 0 H TRP A 64 -9.598 -4.518 -1.566 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.386 -3.257 -1.275 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.636 -0.878 -2.030 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.131 -0.823 -1.117 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.934 -2.457 1.315 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -9.020 -2.404 3.048 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.297 -0.426 -1.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.327 -1.601 3.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.065 -0.044 -0.674 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.592 -0.624 1.665 1.00 0.00 H new ATOM 647 N GLY A 65 -11.251 -3.457 -4.191 1.00 0.00 N ATOM 648 CA GLY A 65 -11.884 -3.321 -5.487 1.00 0.00 C ATOM 649 C GLY A 65 -11.231 -2.251 -6.338 1.00 0.00 C ATOM 650 O GLY A 65 -11.845 -1.222 -6.635 1.00 0.00 O ATOM 0 H GLY A 65 -10.721 -4.319 -4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.841 -4.275 -6.012 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.938 -3.080 -5.350 1.00 0.00 H new ATOM 654 N ARG A 66 -9.984 -2.481 -6.727 1.00 0.00 N ATOM 655 CA ARG A 66 -9.250 -1.519 -7.534 1.00 0.00 C ATOM 656 C ARG A 66 -8.618 -2.194 -8.742 1.00 0.00 C ATOM 657 O ARG A 66 -7.948 -3.216 -8.620 1.00 0.00 O ATOM 658 CB ARG A 66 -8.165 -0.832 -6.703 1.00 0.00 C ATOM 659 CG ARG A 66 -8.702 0.069 -5.604 1.00 0.00 C ATOM 660 CD ARG A 66 -9.556 1.195 -6.165 1.00 0.00 C ATOM 661 NE ARG A 66 -10.020 2.097 -5.116 1.00 0.00 N ATOM 662 CZ ARG A 66 -11.303 2.311 -4.839 1.00 0.00 C ATOM 663 NH1 ARG A 66 -12.247 1.693 -5.535 1.00 0.00 N ATOM 664 NH2 ARG A 66 -11.650 3.147 -3.875 1.00 0.00 N ATOM 0 H ARG A 66 -9.461 -3.326 -6.496 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.960 -0.768 -7.882 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.529 -1.595 -6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.534 -0.241 -7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.294 -0.523 -4.905 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.870 0.490 -5.040 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.979 1.757 -6.899 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.414 0.774 -6.688 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.320 2.592 -4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.990 1.051 -6.285 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.230 1.859 -5.320 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.932 3.633 -3.338 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.636 3.306 -3.668 1.00 0.00 H new ATOM 677 N SER A 67 -8.850 -1.609 -9.905 1.00 0.00 N ATOM 678 CA SER A 67 -8.293 -2.103 -11.152 1.00 0.00 C ATOM 679 C SER A 67 -6.787 -1.856 -11.205 1.00 0.00 C ATOM 680 O SER A 67 -6.262 -1.023 -10.466 1.00 0.00 O ATOM 681 CB SER A 67 -8.982 -1.391 -12.315 1.00 0.00 C ATOM 682 OG SER A 67 -8.917 0.017 -12.148 1.00 0.00 O ATOM 0 H SER A 67 -9.431 -0.777 -10.011 1.00 0.00 H new ATOM 0 HA SER A 67 -8.461 -3.178 -11.222 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.507 -1.674 -13.254 1.00 0.00 H new ATOM 0 HB3 SER A 67 -10.023 -1.708 -12.377 1.00 0.00 H new ATOM 0 HG SER A 67 -9.362 0.457 -12.903 1.00 0.00 H new ATOM 688 N SER A 68 -6.099 -2.563 -12.094 1.00 0.00 N ATOM 689 CA SER A 68 -4.659 -2.401 -12.263 1.00 0.00 C ATOM 690 C SER A 68 -4.342 -1.141 -13.069 1.00 0.00 C ATOM 691 O SER A 68 -3.564 -1.168 -14.027 1.00 0.00 O ATOM 692 CB SER A 68 -4.076 -3.643 -12.936 1.00 0.00 C ATOM 693 OG SER A 68 -4.946 -4.133 -13.944 1.00 0.00 O ATOM 0 H SER A 68 -6.518 -3.258 -12.712 1.00 0.00 H new ATOM 0 HA SER A 68 -4.200 -2.286 -11.281 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.107 -3.403 -13.373 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.906 -4.419 -12.190 1.00 0.00 H new ATOM 0 HG SER A 68 -5.056 -3.452 -14.640 1.00 0.00 H new ATOM 699 N LYS A 69 -4.951 -0.041 -12.654 1.00 0.00 N ATOM 700 CA LYS A 69 -4.799 1.249 -13.299 1.00 0.00 C ATOM 701 C LYS A 69 -4.893 2.333 -12.235 1.00 0.00 C ATOM 702 O LYS A 69 -5.619 2.168 -11.258 1.00 0.00 O ATOM 703 CB LYS A 69 -5.901 1.455 -14.350 1.00 0.00 C ATOM 704 CG LYS A 69 -5.836 0.477 -15.518 1.00 0.00 C ATOM 705 CD LYS A 69 -7.021 0.641 -16.458 1.00 0.00 C ATOM 706 CE LYS A 69 -8.338 0.329 -15.765 1.00 0.00 C ATOM 707 NZ LYS A 69 -9.491 0.402 -16.702 1.00 0.00 N ATOM 0 H LYS A 69 -5.574 -0.022 -11.847 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.833 1.296 -13.802 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.873 1.362 -13.865 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.834 2.472 -14.737 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.909 0.632 -16.071 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.813 -0.544 -15.137 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.044 1.662 -16.840 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.897 -0.018 -17.317 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.290 -0.668 -15.326 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.492 1.031 -14.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.369 0.183 -16.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.553 1.360 -17.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.358 -0.286 -17.471 1.00 0.00 H new ATOM 720 N GLN A 70 -4.149 3.418 -12.414 1.00 0.00 N ATOM 721 CA GLN A 70 -4.138 4.515 -11.448 1.00 0.00 C ATOM 722 C GLN A 70 -5.542 5.091 -11.262 1.00 0.00 C ATOM 723 O GLN A 70 -6.162 5.561 -12.221 1.00 0.00 O ATOM 724 CB GLN A 70 -3.174 5.613 -11.911 1.00 0.00 C ATOM 725 CG GLN A 70 -3.119 6.820 -10.985 1.00 0.00 C ATOM 726 CD GLN A 70 -2.115 7.857 -11.448 1.00 0.00 C ATOM 727 OE1 GLN A 70 -0.953 7.844 -11.042 1.00 0.00 O ATOM 728 NE2 GLN A 70 -2.553 8.760 -12.310 1.00 0.00 N ATOM 0 H GLN A 70 -3.543 3.564 -13.221 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.799 4.124 -10.488 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.173 5.190 -11.999 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.469 5.945 -12.906 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.108 7.276 -10.927 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.860 6.491 -9.979 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -3.524 8.738 -12.623 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.920 9.478 -12.662 1.00 0.00 H new ATOM 737 N TRP A 71 -6.039 5.042 -10.028 1.00 0.00 N ATOM 738 CA TRP A 71 -7.377 5.530 -9.713 1.00 0.00 C ATOM 739 C TRP A 71 -7.352 6.991 -9.267 1.00 0.00 C ATOM 740 O TRP A 71 -6.304 7.638 -9.260 1.00 0.00 O ATOM 741 CB TRP A 71 -8.040 4.642 -8.651 1.00 0.00 C ATOM 742 CG TRP A 71 -7.135 4.240 -7.529 1.00 0.00 C ATOM 743 CD1 TRP A 71 -6.872 4.944 -6.390 1.00 0.00 C ATOM 744 CD2 TRP A 71 -6.382 3.026 -7.435 1.00 0.00 C ATOM 745 NE1 TRP A 71 -5.999 4.241 -5.596 1.00 0.00 N ATOM 746 CE2 TRP A 71 -5.684 3.061 -6.217 1.00 0.00 C ATOM 747 CE3 TRP A 71 -6.230 1.912 -8.266 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -4.849 2.025 -5.810 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -5.399 0.886 -7.860 1.00 0.00 C ATOM 750 CH2 TRP A 71 -4.721 0.950 -6.641 1.00 0.00 C ATOM 0 H TRP A 71 -5.531 4.667 -9.227 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.973 5.479 -10.624 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.899 5.171 -8.237 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.422 3.742 -9.134 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -7.289 5.911 -6.149 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -5.643 4.548 -4.691 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -6.753 1.855 -9.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -4.321 2.070 -4.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.272 0.022 -8.495 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -4.081 0.130 -6.349 1.00 0.00 H new ATOM 761 N GLU A 72 -8.526 7.486 -8.887 1.00 0.00 N ATOM 762 CA GLU A 72 -8.792 8.922 -8.825 1.00 0.00 C ATOM 763 C GLU A 72 -8.307 9.584 -7.535 1.00 0.00 C ATOM 764 O GLU A 72 -7.977 10.771 -7.543 1.00 0.00 O ATOM 765 CB GLU A 72 -10.294 9.167 -8.984 1.00 0.00 C ATOM 766 CG GLU A 72 -10.870 8.642 -10.292 1.00 0.00 C ATOM 767 CD GLU A 72 -12.382 8.699 -10.321 1.00 0.00 C ATOM 768 OE1 GLU A 72 -13.027 7.850 -9.668 1.00 0.00 O ATOM 769 OE2 GLU A 72 -12.934 9.587 -11.005 1.00 0.00 O ATOM 0 H GLU A 72 -9.319 6.906 -8.614 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.228 9.377 -9.640 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.819 8.697 -8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.487 10.238 -8.918 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.471 9.226 -11.122 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.545 7.612 -10.442 1.00 0.00 H new ATOM 776 N ASP A 73 -8.277 8.846 -6.434 1.00 0.00 N ATOM 777 CA ASP A 73 -7.930 9.444 -5.148 1.00 0.00 C ATOM 778 C ASP A 73 -6.783 8.702 -4.474 1.00 0.00 C ATOM 779 O ASP A 73 -6.990 7.689 -3.803 1.00 0.00 O ATOM 780 CB ASP A 73 -9.147 9.480 -4.220 1.00 0.00 C ATOM 781 CG ASP A 73 -8.839 10.137 -2.888 1.00 0.00 C ATOM 782 OD1 ASP A 73 -7.973 11.038 -2.843 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.476 9.767 -1.880 1.00 0.00 O ATOM 0 H ASP A 73 -8.485 7.848 -6.402 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.603 10.465 -5.344 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.958 10.020 -4.709 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.499 8.463 -4.048 1.00 0.00 H new ATOM 788 N PRO A 74 -5.549 9.190 -4.662 1.00 0.00 N ATOM 789 CA PRO A 74 -4.373 8.634 -4.018 1.00 0.00 C ATOM 790 C PRO A 74 -4.013 9.358 -2.717 1.00 0.00 C ATOM 791 O PRO A 74 -3.102 8.949 -1.994 1.00 0.00 O ATOM 792 CB PRO A 74 -3.298 8.863 -5.074 1.00 0.00 C ATOM 793 CG PRO A 74 -3.699 10.125 -5.770 1.00 0.00 C ATOM 794 CD PRO A 74 -5.187 10.301 -5.560 1.00 0.00 C ATOM 0 HA PRO A 74 -4.508 7.594 -3.721 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.312 8.960 -4.619 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.246 8.027 -5.772 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.151 10.977 -5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.465 10.069 -6.833 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.416 11.268 -5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.733 10.248 -6.502 1.00 0.00 H new ATOM 802 N SER A 75 -4.751 10.421 -2.415 1.00 0.00 N ATOM 803 CA SER A 75 -4.437 11.286 -1.283 1.00 0.00 C ATOM 804 C SER A 75 -4.750 10.626 0.061 1.00 0.00 C ATOM 805 O SER A 75 -4.446 11.182 1.119 1.00 0.00 O ATOM 806 CB SER A 75 -5.202 12.599 -1.411 1.00 0.00 C ATOM 807 OG SER A 75 -4.965 13.198 -2.672 1.00 0.00 O ATOM 0 H SER A 75 -5.576 10.706 -2.942 1.00 0.00 H new ATOM 0 HA SER A 75 -3.364 11.476 -1.305 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.269 12.417 -1.285 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.899 13.281 -0.617 1.00 0.00 H new ATOM 0 HG SER A 75 -5.466 14.038 -2.735 1.00 0.00 H new ATOM 813 N GLN A 76 -5.334 9.434 0.019 1.00 0.00 N ATOM 814 CA GLN A 76 -5.649 8.687 1.234 1.00 0.00 C ATOM 815 C GLN A 76 -4.375 8.333 2.001 1.00 0.00 C ATOM 816 O GLN A 76 -4.409 8.048 3.199 1.00 0.00 O ATOM 817 CB GLN A 76 -6.406 7.405 0.879 1.00 0.00 C ATOM 818 CG GLN A 76 -7.756 7.646 0.225 1.00 0.00 C ATOM 819 CD GLN A 76 -8.778 8.244 1.173 1.00 0.00 C ATOM 820 OE1 GLN A 76 -8.760 7.987 2.378 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.679 9.041 0.630 1.00 0.00 N ATOM 0 H GLN A 76 -5.600 8.962 -0.845 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.274 9.316 1.868 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.791 6.806 0.208 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.553 6.819 1.786 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.626 8.313 -0.627 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.138 6.702 -0.164 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.657 9.227 -0.373 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.397 9.471 1.213 1.00 0.00 H new ATOM 830 N ALA A 77 -3.246 8.380 1.305 1.00 0.00 N ATOM 831 CA ALA A 77 -1.977 7.971 1.885 1.00 0.00 C ATOM 832 C ALA A 77 -1.156 9.164 2.362 1.00 0.00 C ATOM 833 O ALA A 77 0.025 9.018 2.675 1.00 0.00 O ATOM 834 CB ALA A 77 -1.181 7.160 0.876 1.00 0.00 C ATOM 0 H ALA A 77 -3.185 8.698 0.338 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.197 7.355 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.232 6.858 1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.748 6.273 0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.991 7.766 -0.010 1.00 0.00 H new ATOM 840 N SER A 78 -1.780 10.338 2.424 1.00 0.00 N ATOM 841 CA SER A 78 -1.092 11.552 2.872 1.00 0.00 C ATOM 842 C SER A 78 -0.443 11.352 4.242 1.00 0.00 C ATOM 843 O SER A 78 0.721 11.699 4.443 1.00 0.00 O ATOM 844 CB SER A 78 -2.063 12.731 2.924 1.00 0.00 C ATOM 845 OG SER A 78 -2.569 13.030 1.635 1.00 0.00 O ATOM 0 H SER A 78 -2.758 10.477 2.171 1.00 0.00 H new ATOM 0 HA SER A 78 -0.305 11.769 2.150 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.888 12.498 3.597 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.557 13.606 3.332 1.00 0.00 H new ATOM 0 HG SER A 78 -3.075 12.262 1.296 1.00 0.00 H new ATOM 851 N LYS A 79 -1.194 10.770 5.172 1.00 0.00 N ATOM 852 CA LYS A 79 -0.686 10.505 6.513 1.00 0.00 C ATOM 853 C LYS A 79 0.478 9.519 6.481 1.00 0.00 C ATOM 854 O LYS A 79 1.416 9.641 7.263 1.00 0.00 O ATOM 855 CB LYS A 79 -1.807 9.979 7.415 1.00 0.00 C ATOM 856 CG LYS A 79 -2.789 11.057 7.852 1.00 0.00 C ATOM 857 CD LYS A 79 -4.031 10.468 8.505 1.00 0.00 C ATOM 858 CE LYS A 79 -5.124 10.174 7.486 1.00 0.00 C ATOM 859 NZ LYS A 79 -4.700 9.177 6.463 1.00 0.00 N ATOM 0 H LYS A 79 -2.158 10.473 5.021 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.317 11.445 6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.351 9.196 6.887 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.366 9.520 8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.297 11.733 8.552 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.082 11.652 6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.765 9.549 9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.411 11.162 9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.009 9.804 8.004 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.410 11.100 6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.501 8.962 5.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.915 9.567 5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.388 8.305 6.936 1.00 0.00 H new ATOM 872 N VAL A 80 0.428 8.556 5.566 1.00 0.00 N ATOM 873 CA VAL A 80 1.516 7.596 5.415 1.00 0.00 C ATOM 874 C VAL A 80 2.771 8.308 4.923 1.00 0.00 C ATOM 875 O VAL A 80 3.847 8.154 5.499 1.00 0.00 O ATOM 876 CB VAL A 80 1.150 6.453 4.437 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.349 5.543 4.195 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.028 5.645 4.967 1.00 0.00 C ATOM 0 H VAL A 80 -0.350 8.420 4.921 1.00 0.00 H new ATOM 0 HA VAL A 80 1.699 7.151 6.393 1.00 0.00 H new ATOM 0 HB VAL A 80 0.861 6.903 3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.068 4.747 3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.166 6.124 3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.671 5.106 5.140 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.268 4.847 4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.233 5.211 5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.893 6.297 5.085 1.00 0.00 H new ATOM 888 N CYS A 81 2.612 9.105 3.872 1.00 0.00 N ATOM 889 CA CYS A 81 3.708 9.905 3.345 1.00 0.00 C ATOM 890 C CYS A 81 4.297 10.790 4.442 1.00 0.00 C ATOM 891 O CYS A 81 5.515 10.902 4.579 1.00 0.00 O ATOM 892 CB CYS A 81 3.216 10.778 2.185 1.00 0.00 C ATOM 893 SG CYS A 81 2.523 9.851 0.773 1.00 0.00 S ATOM 0 H CYS A 81 1.732 9.213 3.368 1.00 0.00 H new ATOM 0 HA CYS A 81 4.483 9.230 2.981 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.456 11.463 2.561 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.047 11.388 1.829 1.00 0.00 H new ATOM 898 N GLN A 82 3.418 11.392 5.237 1.00 0.00 N ATOM 899 CA GLN A 82 3.830 12.280 6.319 1.00 0.00 C ATOM 900 C GLN A 82 4.694 11.543 7.341 1.00 0.00 C ATOM 901 O GLN A 82 5.684 12.083 7.831 1.00 0.00 O ATOM 902 CB GLN A 82 2.597 12.873 7.005 1.00 0.00 C ATOM 903 CG GLN A 82 2.926 13.941 8.036 1.00 0.00 C ATOM 904 CD GLN A 82 3.612 15.151 7.424 1.00 0.00 C ATOM 905 OE1 GLN A 82 3.256 15.480 6.193 1.00 0.00 O flip ATOM 906 NE2 GLN A 82 4.439 15.798 8.064 1.00 0.00 N flip ATOM 0 H GLN A 82 2.408 11.280 5.151 1.00 0.00 H new ATOM 0 HA GLN A 82 4.427 13.084 5.890 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.941 13.302 6.247 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.041 12.071 7.490 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.008 14.259 8.530 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.569 13.513 8.805 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.688 15.513 9.011 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.876 16.620 7.648 1.00 0.00 H new ATOM 915 N ARG A 83 4.332 10.298 7.636 1.00 0.00 N ATOM 916 CA ARG A 83 5.057 9.502 8.627 1.00 0.00 C ATOM 917 C ARG A 83 6.458 9.149 8.136 1.00 0.00 C ATOM 918 O ARG A 83 7.328 8.797 8.927 1.00 0.00 O ATOM 919 CB ARG A 83 4.294 8.217 8.965 1.00 0.00 C ATOM 920 CG ARG A 83 2.942 8.440 9.630 1.00 0.00 C ATOM 921 CD ARG A 83 3.063 9.211 10.939 1.00 0.00 C ATOM 922 NE ARG A 83 3.930 8.536 11.903 1.00 0.00 N ATOM 923 CZ ARG A 83 3.915 8.789 13.208 1.00 0.00 C ATOM 924 NH1 ARG A 83 3.081 9.696 13.692 1.00 0.00 N ATOM 925 NH2 ARG A 83 4.727 8.145 14.032 1.00 0.00 N ATOM 0 H ARG A 83 3.543 9.817 7.205 1.00 0.00 H new ATOM 0 HA ARG A 83 5.144 10.110 9.527 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.144 7.647 8.048 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.912 7.605 9.623 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.290 8.986 8.948 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.470 7.476 9.821 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.456 10.207 10.736 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.072 9.341 11.374 1.00 0.00 H new ATOM 0 HE ARG A 83 4.582 7.833 11.556 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.453 10.198 13.064 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.066 9.893 14.693 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.374 7.446 13.667 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.706 8.348 15.031 1.00 0.00 H new ATOM 938 N LEU A 84 6.669 9.231 6.832 1.00 0.00 N ATOM 939 CA LEU A 84 7.987 8.983 6.262 1.00 0.00 C ATOM 940 C LEU A 84 8.710 10.294 5.970 1.00 0.00 C ATOM 941 O LEU A 84 9.769 10.300 5.340 1.00 0.00 O ATOM 942 CB LEU A 84 7.884 8.147 4.982 1.00 0.00 C ATOM 943 CG LEU A 84 7.765 6.631 5.186 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.449 6.257 5.851 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.911 5.908 3.859 1.00 0.00 C ATOM 0 H LEU A 84 5.949 9.466 6.149 1.00 0.00 H new ATOM 0 HA LEU A 84 8.563 8.422 6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.017 8.488 4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.763 8.345 4.369 1.00 0.00 H new ATOM 0 HG LEU A 84 8.571 6.321 5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.400 5.176 5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.383 6.741 6.825 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.619 6.586 5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.825 4.833 4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.127 6.238 3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.886 6.133 3.427 1.00 0.00 H new ATOM 957 N ASN A 85 8.135 11.398 6.453 1.00 0.00 N ATOM 958 CA ASN A 85 8.666 12.742 6.213 1.00 0.00 C ATOM 959 C ASN A 85 8.636 13.083 4.730 1.00 0.00 C ATOM 960 O ASN A 85 9.572 13.678 4.189 1.00 0.00 O ATOM 961 CB ASN A 85 10.085 12.896 6.773 1.00 0.00 C ATOM 962 CG ASN A 85 10.107 12.970 8.287 1.00 0.00 C ATOM 963 OD1 ASN A 85 10.240 11.955 8.973 1.00 0.00 O ATOM 964 ND2 ASN A 85 9.980 14.177 8.819 1.00 0.00 N ATOM 0 H ASN A 85 7.288 11.385 7.021 1.00 0.00 H new ATOM 0 HA ASN A 85 8.022 13.445 6.741 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.695 12.054 6.445 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.538 13.798 6.362 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.990 14.291 9.833 1.00 0.00 H new ATOM 0 HD22 ASN A 85 9.872 14.992 8.215 1.00 0.00 H new ATOM 971 N CYS A 86 7.550 12.703 4.082 1.00 0.00 N ATOM 972 CA CYS A 86 7.336 13.011 2.681 1.00 0.00 C ATOM 973 C CYS A 86 6.083 13.869 2.533 1.00 0.00 C ATOM 974 O CYS A 86 5.310 14.019 3.483 1.00 0.00 O ATOM 975 CB CYS A 86 7.206 11.716 1.874 1.00 0.00 C ATOM 976 SG CYS A 86 8.663 10.625 1.970 1.00 0.00 S ATOM 0 H CYS A 86 6.792 12.173 4.512 1.00 0.00 H new ATOM 0 HA CYS A 86 8.190 13.569 2.296 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.332 11.168 2.226 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.024 11.969 0.830 1.00 0.00 H new ATOM 981 N GLY A 87 5.891 14.434 1.355 1.00 0.00 N ATOM 982 CA GLY A 87 4.775 15.327 1.129 1.00 0.00 C ATOM 983 C GLY A 87 3.596 14.643 0.469 1.00 0.00 C ATOM 984 O GLY A 87 3.409 13.434 0.614 1.00 0.00 O ATOM 0 H GLY A 87 6.492 14.290 0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.456 15.750 2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.102 16.158 0.505 1.00 0.00 H new ATOM 988 N ASP A 88 2.817 15.426 -0.272 1.00 0.00 N ATOM 989 CA ASP A 88 1.573 14.958 -0.888 1.00 0.00 C ATOM 990 C ASP A 88 1.785 13.741 -1.785 1.00 0.00 C ATOM 991 O ASP A 88 2.827 13.602 -2.430 1.00 0.00 O ATOM 992 CB ASP A 88 0.930 16.079 -1.709 1.00 0.00 C ATOM 993 CG ASP A 88 0.270 17.131 -0.842 1.00 0.00 C ATOM 994 OD1 ASP A 88 0.943 18.109 -0.458 1.00 0.00 O ATOM 995 OD2 ASP A 88 -0.929 16.981 -0.537 1.00 0.00 O ATOM 0 H ASP A 88 3.028 16.405 -0.464 1.00 0.00 H new ATOM 0 HA ASP A 88 0.914 14.663 -0.072 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.691 16.551 -2.331 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.188 15.651 -2.383 1.00 0.00 H new ATOM 1000 N PRO A 89 0.786 12.844 -1.830 1.00 0.00 N ATOM 1001 CA PRO A 89 0.810 11.665 -2.686 1.00 0.00 C ATOM 1002 C PRO A 89 0.533 12.020 -4.142 1.00 0.00 C ATOM 1003 O PRO A 89 -0.560 12.469 -4.490 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.314 10.772 -2.141 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.850 11.468 -0.931 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.451 12.910 -1.051 1.00 0.00 C ATOM 0 HA PRO A 89 1.787 11.181 -2.672 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.096 10.631 -2.887 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.064 9.782 -1.885 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.934 11.370 -0.876 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.444 11.029 -0.020 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.216 13.500 -1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.290 13.367 -0.075 1.00 0.00 H new ATOM 1014 N LEU A 90 1.529 11.824 -4.983 1.00 0.00 N ATOM 1015 CA LEU A 90 1.415 12.129 -6.398 1.00 0.00 C ATOM 1016 C LEU A 90 0.724 10.992 -7.139 1.00 0.00 C ATOM 1017 O LEU A 90 -0.058 11.223 -8.060 1.00 0.00 O ATOM 1018 CB LEU A 90 2.803 12.377 -6.993 1.00 0.00 C ATOM 1019 CG LEU A 90 3.593 13.529 -6.359 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.979 13.633 -6.975 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.848 14.848 -6.519 1.00 0.00 C ATOM 0 H LEU A 90 2.437 11.450 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 90 0.812 13.030 -6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.389 11.462 -6.900 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.693 12.578 -8.059 1.00 0.00 H new ATOM 0 HG LEU A 90 3.699 13.318 -5.295 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.522 14.456 -6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.521 12.702 -6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.888 13.816 -8.046 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.427 15.651 -6.062 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.707 15.060 -7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.876 14.778 -6.031 1.00 0.00 H new ATOM 1033 N SER A 91 1.023 9.767 -6.733 1.00 0.00 N ATOM 1034 CA SER A 91 0.441 8.585 -7.352 1.00 0.00 C ATOM 1035 C SER A 91 0.347 7.441 -6.356 1.00 0.00 C ATOM 1036 O SER A 91 1.185 7.316 -5.459 1.00 0.00 O ATOM 1037 CB SER A 91 1.270 8.137 -8.559 1.00 0.00 C ATOM 1038 OG SER A 91 1.134 9.036 -9.645 1.00 0.00 O ATOM 0 H SER A 91 1.671 9.565 -5.971 1.00 0.00 H new ATOM 0 HA SER A 91 -0.562 8.851 -7.685 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.320 8.065 -8.274 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.955 7.141 -8.869 1.00 0.00 H new ATOM 0 HG SER A 91 0.425 8.721 -10.244 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.677 6.622 -6.522 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.869 5.432 -5.709 1.00 0.00 C ATOM 1046 C LEU A 92 -1.621 4.401 -6.538 1.00 0.00 C ATOM 1047 O LEU A 92 -2.790 4.596 -6.868 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.639 5.777 -4.420 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.704 4.675 -3.347 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -1.994 5.280 -1.982 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.774 3.642 -3.675 1.00 0.00 C ATOM 0 H LEU A 92 -1.401 6.763 -7.226 1.00 0.00 H new ATOM 0 HA LEU A 92 0.096 5.023 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.182 6.661 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.659 6.049 -4.693 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.734 4.179 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.037 4.488 -1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.204 5.983 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.950 5.803 -2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.793 2.878 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.747 4.130 -3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.549 3.177 -4.635 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.941 3.329 -6.901 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.553 2.310 -7.734 1.00 0.00 C ATOM 1065 C GLY A 93 -0.578 1.204 -8.078 1.00 0.00 C ATOM 1066 O GLY A 93 0.309 0.907 -7.288 1.00 0.00 O ATOM 0 H GLY A 93 0.026 3.142 -6.635 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.414 1.887 -7.217 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.924 2.766 -8.652 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.710 0.570 -9.252 1.00 0.00 N ATOM 1071 CA PRO A 94 0.210 -0.489 -9.673 1.00 0.00 C ATOM 1072 C PRO A 94 1.562 0.072 -10.114 1.00 0.00 C ATOM 1073 O PRO A 94 1.638 0.866 -11.053 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.517 -1.136 -10.854 1.00 0.00 C ATOM 1075 CG PRO A 94 -1.376 -0.055 -11.416 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.760 0.831 -10.258 1.00 0.00 C ATOM 0 HA PRO A 94 0.438 -1.186 -8.866 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.189 -1.506 -11.597 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.115 -1.988 -10.531 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.839 0.512 -12.177 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.261 -0.473 -11.895 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.784 1.881 -10.548 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.750 0.584 -9.876 1.00 0.00 H new ATOM 1084 N PHE A 95 2.626 -0.325 -9.429 1.00 0.00 N ATOM 1085 CA PHE A 95 3.954 0.187 -9.738 1.00 0.00 C ATOM 1086 C PHE A 95 5.010 -0.889 -9.527 1.00 0.00 C ATOM 1087 O PHE A 95 5.164 -1.395 -8.414 1.00 0.00 O ATOM 1088 CB PHE A 95 4.269 1.385 -8.845 1.00 0.00 C ATOM 1089 CG PHE A 95 5.460 2.186 -9.292 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.341 3.118 -10.312 1.00 0.00 C ATOM 1091 CD2 PHE A 95 6.696 2.013 -8.688 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.431 3.862 -10.721 1.00 0.00 C ATOM 1093 CE2 PHE A 95 7.789 2.752 -9.094 1.00 0.00 C ATOM 1094 CZ PHE A 95 7.656 3.678 -10.112 1.00 0.00 C ATOM 0 H PHE A 95 2.596 -0.995 -8.661 1.00 0.00 H new ATOM 0 HA PHE A 95 3.967 0.493 -10.784 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.397 2.038 -8.811 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.443 1.032 -7.829 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.385 3.264 -10.792 1.00 0.00 H new ATOM 0 HD2 PHE A 95 6.805 1.292 -7.891 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.325 4.586 -11.515 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.747 2.607 -8.617 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.510 4.257 -10.431 1.00 0.00 H new ATOM 1104 N LEU A 96 5.721 -1.225 -10.604 1.00 0.00 N ATOM 1105 CA LEU A 96 6.840 -2.169 -10.557 1.00 0.00 C ATOM 1106 C LEU A 96 6.388 -3.525 -10.011 1.00 0.00 C ATOM 1107 O LEU A 96 6.425 -3.768 -8.805 1.00 0.00 O ATOM 1108 CB LEU A 96 7.979 -1.591 -9.698 1.00 0.00 C ATOM 1109 CG LEU A 96 9.403 -2.032 -10.080 1.00 0.00 C ATOM 1110 CD1 LEU A 96 10.429 -1.265 -9.258 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.595 -3.533 -9.891 1.00 0.00 C ATOM 0 H LEU A 96 5.538 -0.850 -11.535 1.00 0.00 H new ATOM 0 HA LEU A 96 7.207 -2.323 -11.572 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.931 -0.503 -9.750 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.801 -1.868 -8.659 1.00 0.00 H new ATOM 0 HG LEU A 96 9.548 -1.808 -11.137 1.00 0.00 H new ATOM 0 HD11 LEU A 96 11.433 -1.586 -9.537 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.323 -0.197 -9.449 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.267 -1.462 -8.198 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.612 -3.808 -10.171 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.423 -3.793 -8.847 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.887 -4.072 -10.521 1.00 0.00 H new ATOM 1123 N LYS A 97 5.976 -4.415 -10.903 1.00 0.00 N ATOM 1124 CA LYS A 97 5.522 -5.733 -10.484 1.00 0.00 C ATOM 1125 C LYS A 97 6.722 -6.621 -10.189 1.00 0.00 C ATOM 1126 O LYS A 97 7.223 -7.320 -11.065 1.00 0.00 O ATOM 1127 CB LYS A 97 4.624 -6.388 -11.540 1.00 0.00 C ATOM 1128 CG LYS A 97 3.359 -5.594 -11.847 1.00 0.00 C ATOM 1129 CD LYS A 97 2.299 -6.432 -12.557 1.00 0.00 C ATOM 1130 CE LYS A 97 2.676 -6.794 -13.990 1.00 0.00 C ATOM 1131 NZ LYS A 97 3.705 -7.868 -14.061 1.00 0.00 N ATOM 0 H LYS A 97 5.947 -4.252 -11.909 1.00 0.00 H new ATOM 0 HA LYS A 97 4.927 -5.611 -9.579 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.194 -6.516 -12.460 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.343 -7.384 -11.198 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.945 -5.203 -10.918 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.615 -4.736 -12.468 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.131 -7.348 -11.991 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.357 -5.884 -12.564 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.783 -7.116 -14.526 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.049 -5.905 -14.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.429 -8.566 -14.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.624 -7.452 -14.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.782 -8.337 -13.136 1.00 0.00 H new ATOM 1144 N THR A 98 7.187 -6.569 -8.948 1.00 0.00 N ATOM 1145 CA THR A 98 8.339 -7.350 -8.514 1.00 0.00 C ATOM 1146 C THR A 98 7.992 -8.837 -8.427 1.00 0.00 C ATOM 1147 O THR A 98 8.876 -9.693 -8.344 1.00 0.00 O ATOM 1148 CB THR A 98 8.830 -6.852 -7.140 1.00 0.00 C ATOM 1149 OG1 THR A 98 8.943 -5.427 -7.163 1.00 0.00 O ATOM 1150 CG2 THR A 98 10.178 -7.453 -6.774 1.00 0.00 C ATOM 0 H THR A 98 6.779 -5.987 -8.216 1.00 0.00 H new ATOM 0 HA THR A 98 9.131 -7.221 -9.252 1.00 0.00 H new ATOM 0 HB THR A 98 8.103 -7.165 -6.391 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.536 -5.134 -6.440 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.491 -7.078 -5.799 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.094 -8.539 -6.735 1.00 0.00 H new ATOM 0 HG23 THR A 98 10.917 -7.173 -7.525 1.00 0.00 H new ATOM 1158 N TYR A 99 6.692 -9.120 -8.468 1.00 0.00 N ATOM 1159 CA TYR A 99 6.176 -10.478 -8.337 1.00 0.00 C ATOM 1160 C TYR A 99 6.603 -11.076 -6.999 1.00 0.00 C ATOM 1161 O TYR A 99 7.486 -11.931 -6.929 1.00 0.00 O ATOM 1162 CB TYR A 99 6.638 -11.361 -9.507 1.00 0.00 C ATOM 1163 CG TYR A 99 6.051 -12.758 -9.487 1.00 0.00 C ATOM 1164 CD1 TYR A 99 4.700 -12.967 -9.731 1.00 0.00 C ATOM 1165 CD2 TYR A 99 6.849 -13.865 -9.220 1.00 0.00 C ATOM 1166 CE1 TYR A 99 4.160 -14.239 -9.705 1.00 0.00 C ATOM 1167 CE2 TYR A 99 6.315 -15.138 -9.196 1.00 0.00 C ATOM 1168 CZ TYR A 99 4.973 -15.320 -9.438 1.00 0.00 C ATOM 1169 OH TYR A 99 4.440 -16.587 -9.408 1.00 0.00 O ATOM 0 H TYR A 99 5.967 -8.413 -8.593 1.00 0.00 H new ATOM 0 HA TYR A 99 5.087 -10.437 -8.367 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.367 -10.876 -10.445 1.00 0.00 H new ATOM 0 HB3 TYR A 99 7.725 -11.433 -9.488 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.061 -12.123 -9.944 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.903 -13.727 -9.028 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.107 -14.385 -9.893 1.00 0.00 H new ATOM 0 HE2 TYR A 99 6.948 -15.988 -8.988 1.00 0.00 H new ATOM 0 HH TYR A 99 5.147 -17.235 -9.207 1.00 0.00 H new ATOM 1179 N THR A 100 5.974 -10.609 -5.933 1.00 0.00 N ATOM 1180 CA THR A 100 6.253 -11.114 -4.602 1.00 0.00 C ATOM 1181 C THR A 100 4.975 -11.612 -3.921 1.00 0.00 C ATOM 1182 O THR A 100 4.562 -11.073 -2.892 1.00 0.00 O ATOM 1183 CB THR A 100 6.912 -10.027 -3.731 1.00 0.00 C ATOM 1184 OG1 THR A 100 6.255 -8.769 -3.945 1.00 0.00 O ATOM 1185 CG2 THR A 100 8.395 -9.891 -4.048 1.00 0.00 C ATOM 0 H THR A 100 5.264 -9.878 -5.966 1.00 0.00 H new ATOM 0 HA THR A 100 6.942 -11.952 -4.708 1.00 0.00 H new ATOM 0 HB THR A 100 6.812 -10.322 -2.686 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.232 -8.265 -3.105 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.832 -9.117 -3.418 1.00 0.00 H new ATOM 0 HG22 THR A 100 8.896 -10.840 -3.857 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.520 -9.619 -5.096 1.00 0.00 H new ATOM 1193 N PRO A 101 4.349 -12.677 -4.464 1.00 0.00 N ATOM 1194 CA PRO A 101 3.079 -13.201 -3.953 1.00 0.00 C ATOM 1195 C PRO A 101 3.266 -13.958 -2.646 1.00 0.00 C ATOM 1196 O PRO A 101 2.323 -14.515 -2.090 1.00 0.00 O ATOM 1197 CB PRO A 101 2.598 -14.152 -5.062 1.00 0.00 C ATOM 1198 CG PRO A 101 3.541 -13.955 -6.204 1.00 0.00 C ATOM 1199 CD PRO A 101 4.823 -13.473 -5.598 1.00 0.00 C ATOM 0 HA PRO A 101 2.368 -12.405 -3.732 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.608 -15.187 -4.721 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.574 -13.923 -5.357 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.693 -14.886 -6.750 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.147 -13.229 -6.915 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.458 -14.299 -5.278 1.00 0.00 H new ATOM 0 HD3 PRO A 101 5.406 -12.876 -6.299 1.00 0.00 H new ATOM 1207 N GLN A 102 4.502 -13.969 -2.172 1.00 0.00 N ATOM 1208 CA GLN A 102 4.844 -14.597 -0.907 1.00 0.00 C ATOM 1209 C GLN A 102 5.047 -13.523 0.156 1.00 0.00 C ATOM 1210 O GLN A 102 5.585 -13.781 1.233 1.00 0.00 O ATOM 1211 CB GLN A 102 6.115 -15.438 -1.057 1.00 0.00 C ATOM 1212 CG GLN A 102 6.011 -16.518 -2.125 1.00 0.00 C ATOM 1213 CD GLN A 102 7.323 -17.237 -2.350 1.00 0.00 C ATOM 1214 OE1 GLN A 102 7.607 -18.250 -1.715 1.00 0.00 O ATOM 1215 NE2 GLN A 102 8.136 -16.711 -3.253 1.00 0.00 N ATOM 0 H GLN A 102 5.294 -13.543 -2.653 1.00 0.00 H new ATOM 0 HA GLN A 102 4.029 -15.255 -0.603 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.949 -14.780 -1.299 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.345 -15.906 -0.100 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.249 -17.241 -1.833 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.681 -16.068 -3.062 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.861 -15.869 -3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.038 -17.148 -3.444 1.00 0.00 H new ATOM 1224 N SER A 103 4.636 -12.303 -0.171 1.00 0.00 N ATOM 1225 CA SER A 103 4.739 -11.184 0.755 1.00 0.00 C ATOM 1226 C SER A 103 3.581 -10.202 0.572 1.00 0.00 C ATOM 1227 O SER A 103 3.257 -9.444 1.488 1.00 0.00 O ATOM 1228 CB SER A 103 6.073 -10.458 0.560 1.00 0.00 C ATOM 1229 OG SER A 103 7.169 -11.333 0.776 1.00 0.00 O ATOM 0 H SER A 103 4.227 -12.064 -1.074 1.00 0.00 H new ATOM 0 HA SER A 103 4.689 -11.583 1.768 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.124 -10.049 -0.449 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.136 -9.615 1.249 1.00 0.00 H new ATOM 0 HG SER A 103 8.008 -10.845 0.644 1.00 0.00 H new ATOM 1235 N SER A 104 2.960 -10.211 -0.603 1.00 0.00 N ATOM 1236 CA SER A 104 1.881 -9.280 -0.897 1.00 0.00 C ATOM 1237 C SER A 104 0.524 -9.825 -0.438 1.00 0.00 C ATOM 1238 O SER A 104 0.304 -11.038 -0.403 1.00 0.00 O ATOM 1239 CB SER A 104 1.859 -8.972 -2.397 1.00 0.00 C ATOM 1240 OG SER A 104 1.766 -10.161 -3.164 1.00 0.00 O ATOM 0 H SER A 104 3.186 -10.851 -1.364 1.00 0.00 H new ATOM 0 HA SER A 104 2.064 -8.359 -0.343 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.014 -8.322 -2.625 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.763 -8.428 -2.672 1.00 0.00 H new ATOM 0 HG SER A 104 1.132 -10.027 -3.899 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.373 -8.917 -0.070 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.709 -9.283 0.379 1.00 0.00 C ATOM 1248 C ILE A 105 -2.772 -8.469 -0.356 1.00 0.00 C ATOM 1249 O ILE A 105 -2.551 -7.306 -0.698 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.885 -9.050 1.897 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.540 -7.596 2.243 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.030 -10.025 2.701 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.897 -7.191 3.653 1.00 0.00 C ATOM 0 H ILE A 105 -0.195 -7.913 -0.075 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.831 -10.344 0.161 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.926 -9.233 2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.471 -7.443 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.057 -6.936 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.172 -9.840 3.766 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.327 -11.047 2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.020 -9.885 2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.620 -6.149 3.814 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.970 -7.308 3.805 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.359 -7.823 4.360 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.917 -9.086 -0.598 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.058 -8.392 -1.177 1.00 0.00 C ATOM 1267 C ILE A 106 -6.112 -8.158 -0.104 1.00 0.00 C ATOM 1268 O ILE A 106 -6.651 -9.104 0.471 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.673 -9.171 -2.368 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.814 -8.986 -3.620 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.107 -8.727 -2.636 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.337 -9.723 -4.834 1.00 0.00 C ATOM 0 H ILE A 106 -4.082 -10.073 -0.401 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.705 -7.436 -1.564 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.694 -10.229 -2.107 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.750 -7.923 -3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.801 -9.327 -3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.511 -9.291 -3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.716 -8.909 -1.750 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.120 -7.663 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.675 -9.544 -5.681 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.374 -10.792 -4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.338 -9.365 -5.073 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.385 -6.898 0.175 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.339 -6.539 1.211 1.00 0.00 C ATOM 1286 C CYS A 107 -8.713 -6.267 0.616 1.00 0.00 C ATOM 1287 O CYS A 107 -8.839 -5.890 -0.552 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.840 -5.323 1.995 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.275 -5.620 2.883 1.00 0.00 S ATOM 0 H CYS A 107 -5.959 -6.103 -0.302 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.431 -7.381 1.897 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.705 -4.488 1.307 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.604 -5.025 2.713 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.743 -6.480 1.418 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.112 -6.282 0.980 1.00 0.00 C ATOM 1296 C TYR A 108 -11.781 -5.218 1.839 1.00 0.00 C ATOM 1297 O TYR A 108 -11.313 -4.921 2.940 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.891 -7.599 1.066 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.253 -8.735 0.294 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.344 -8.795 -1.092 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.556 -9.742 0.949 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -10.759 -9.827 -1.801 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -9.967 -10.775 0.247 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.072 -10.813 -1.127 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.486 -11.842 -1.829 1.00 0.00 O ATOM 0 H TYR A 108 -9.654 -6.793 2.385 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.107 -5.948 -0.058 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.983 -7.889 2.113 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.901 -7.438 0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.880 -8.023 -1.623 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.473 -9.717 2.026 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -10.840 -9.860 -2.877 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.427 -11.549 0.772 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.040 -12.452 -1.205 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.871 -4.655 1.341 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.574 -3.626 2.078 1.00 0.00 C ATOM 1317 C GLY A 109 -13.431 -2.261 1.439 1.00 0.00 C ATOM 1318 O GLY A 109 -13.153 -2.154 0.243 1.00 0.00 O ATOM 0 H GLY A 109 -13.282 -4.893 0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.631 -3.886 2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.193 -3.589 3.098 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.636 -1.222 2.232 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.516 0.149 1.759 1.00 0.00 C ATOM 1324 C GLN A 110 -12.054 0.591 1.764 1.00 0.00 C ATOM 1325 O GLN A 110 -11.283 0.205 2.645 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.355 1.075 2.643 1.00 0.00 C ATOM 1327 CG GLN A 110 -14.426 2.512 2.146 1.00 0.00 C ATOM 1328 CD GLN A 110 -14.952 2.609 0.727 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -14.183 2.599 -0.236 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -16.263 2.693 0.586 1.00 0.00 N ATOM 0 H GLN A 110 -13.889 -1.303 3.217 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.885 0.203 0.735 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -15.367 0.675 2.712 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.941 1.071 3.651 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.069 3.091 2.809 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -13.433 2.959 2.194 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.865 2.698 1.409 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.673 2.753 -0.346 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.696 1.401 0.768 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.333 1.904 0.592 1.00 0.00 C ATOM 1341 C LEU A 111 -9.796 2.531 1.877 1.00 0.00 C ATOM 1342 O LEU A 111 -10.123 3.671 2.212 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.312 2.932 -0.549 1.00 0.00 C ATOM 1344 CG LEU A 111 -8.952 3.583 -0.845 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -7.947 2.557 -1.347 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.111 4.706 -1.860 1.00 0.00 C ATOM 0 H LEU A 111 -12.348 1.729 0.055 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.686 1.063 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.664 2.444 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.026 3.721 -0.314 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.571 4.000 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.995 3.048 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.805 1.786 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.320 2.101 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.139 5.157 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.521 4.304 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.787 5.463 -1.462 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.971 1.773 2.588 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.400 2.250 3.828 1.00 0.00 C ATOM 1360 C GLY A 112 -8.511 1.232 4.942 1.00 0.00 C ATOM 1361 O GLY A 112 -7.703 1.225 5.870 1.00 0.00 O ATOM 0 H GLY A 112 -8.687 0.830 2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.351 2.499 3.670 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.904 3.169 4.127 1.00 0.00 H new ATOM 1365 N SER A 113 -9.505 0.359 4.845 1.00 0.00 N ATOM 1366 CA SER A 113 -9.743 -0.638 5.875 1.00 0.00 C ATOM 1367 C SER A 113 -8.868 -1.870 5.656 1.00 0.00 C ATOM 1368 O SER A 113 -9.086 -2.650 4.729 1.00 0.00 O ATOM 1369 CB SER A 113 -11.220 -1.037 5.892 1.00 0.00 C ATOM 1370 OG SER A 113 -11.486 -1.976 6.922 1.00 0.00 O ATOM 0 H SER A 113 -10.158 0.323 4.063 1.00 0.00 H new ATOM 0 HA SER A 113 -9.481 -0.201 6.839 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.837 -0.150 6.036 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.495 -1.464 4.927 1.00 0.00 H new ATOM 0 HG SER A 113 -12.453 -2.116 6.995 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.880 -2.047 6.518 1.00 0.00 N ATOM 1377 CA PHE A 114 -7.014 -3.218 6.465 1.00 0.00 C ATOM 1378 C PHE A 114 -7.560 -4.292 7.398 1.00 0.00 C ATOM 1379 O PHE A 114 -6.819 -4.946 8.130 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.581 -2.845 6.861 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.880 -1.960 5.866 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.962 -0.578 5.964 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.135 -2.509 4.835 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.314 0.236 5.056 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.484 -1.699 3.924 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.573 -0.326 4.034 1.00 0.00 C ATOM 0 H PHE A 114 -7.655 -1.392 7.267 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.994 -3.603 5.445 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.602 -2.342 7.828 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -5.001 -3.759 6.990 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.540 -0.133 6.761 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.062 -3.583 4.742 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.386 1.310 5.144 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.906 -2.140 3.126 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.064 0.308 3.323 1.00 0.00 H new ATOM 1396 N SER A 115 -8.876 -4.446 7.376 1.00 0.00 N ATOM 1397 CA SER A 115 -9.562 -5.367 8.266 1.00 0.00 C ATOM 1398 C SER A 115 -9.475 -6.805 7.766 1.00 0.00 C ATOM 1399 O SER A 115 -9.144 -7.717 8.526 1.00 0.00 O ATOM 1400 CB SER A 115 -11.023 -4.944 8.411 1.00 0.00 C ATOM 1401 OG SER A 115 -11.579 -4.624 7.144 1.00 0.00 O ATOM 0 H SER A 115 -9.494 -3.938 6.743 1.00 0.00 H new ATOM 0 HA SER A 115 -9.071 -5.330 9.238 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.596 -5.748 8.873 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.093 -4.081 9.073 1.00 0.00 H new ATOM 0 HG SER A 115 -11.480 -3.664 6.976 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.771 -7.009 6.491 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.752 -8.344 5.916 1.00 0.00 C ATOM 1409 C ASN A 116 -8.820 -8.389 4.717 1.00 0.00 C ATOM 1410 O ASN A 116 -9.091 -7.772 3.690 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.160 -8.774 5.495 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.216 -10.234 5.090 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -10.453 -11.059 5.593 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -12.124 -10.564 4.187 1.00 0.00 N ATOM 0 H ASN A 116 -10.026 -6.269 5.837 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.389 -9.035 6.676 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.853 -8.600 6.319 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.493 -8.155 4.662 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -12.211 -11.534 3.882 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -12.737 -9.849 3.795 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.722 -9.110 4.856 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.745 -9.222 3.784 1.00 0.00 C ATOM 1423 C CYS A 117 -6.384 -10.684 3.546 1.00 0.00 C ATOM 1424 O CYS A 117 -6.303 -11.474 4.490 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.495 -8.405 4.121 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.838 -6.659 4.537 1.00 0.00 S ATOM 0 H CYS A 117 -7.483 -9.628 5.701 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.182 -8.824 2.868 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.983 -8.874 4.961 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.812 -8.438 3.272 1.00 0.00 H new ATOM 1431 N SER A 118 -6.180 -11.038 2.285 1.00 0.00 N ATOM 1432 CA SER A 118 -5.899 -12.411 1.903 1.00 0.00 C ATOM 1433 C SER A 118 -4.565 -12.501 1.162 1.00 0.00 C ATOM 1434 O SER A 118 -4.254 -11.659 0.317 1.00 0.00 O ATOM 1435 CB SER A 118 -7.038 -12.938 1.022 1.00 0.00 C ATOM 1436 OG SER A 118 -6.821 -14.284 0.640 1.00 0.00 O ATOM 0 H SER A 118 -6.205 -10.384 1.503 1.00 0.00 H new ATOM 0 HA SER A 118 -5.827 -13.023 2.802 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.982 -12.860 1.561 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.127 -12.316 0.131 1.00 0.00 H new ATOM 0 HG SER A 118 -7.566 -14.590 0.081 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.775 -13.510 1.497 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.489 -13.735 0.846 1.00 0.00 C ATOM 1444 C HIS A 119 -2.701 -14.380 -0.524 1.00 0.00 C ATOM 1445 O HIS A 119 -3.258 -15.473 -0.621 1.00 0.00 O ATOM 1446 CB HIS A 119 -1.619 -14.635 1.725 1.00 0.00 C ATOM 1447 CG HIS A 119 -0.159 -14.601 1.389 1.00 0.00 C ATOM 1448 ND1 HIS A 119 0.534 -15.695 0.915 1.00 0.00 N ATOM 1449 CD2 HIS A 119 0.753 -13.605 1.505 1.00 0.00 C ATOM 1450 CE1 HIS A 119 1.803 -15.377 0.759 1.00 0.00 C ATOM 1451 NE2 HIS A 119 1.964 -14.114 1.109 1.00 0.00 N ATOM 0 H HIS A 119 -4.002 -14.192 2.221 1.00 0.00 H new ATOM 0 HA HIS A 119 -1.985 -12.779 0.706 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -1.747 -14.339 2.766 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -1.976 -15.661 1.639 1.00 0.00 H new ATOM 0 HD1 HIS A 119 0.127 -16.609 0.716 1.00 0.00 H new ATOM 0 HD2 HIS A 119 0.562 -12.598 1.846 1.00 0.00 H new ATOM 0 HE1 HIS A 119 2.580 -16.038 0.405 1.00 0.00 H new ATOM 1459 N SER A 120 -2.264 -13.702 -1.578 1.00 0.00 N ATOM 1460 CA SER A 120 -2.507 -14.164 -2.940 1.00 0.00 C ATOM 1461 C SER A 120 -1.221 -14.680 -3.594 1.00 0.00 C ATOM 1462 O SER A 120 -0.275 -13.923 -3.802 1.00 0.00 O ATOM 1463 CB SER A 120 -3.091 -13.018 -3.767 1.00 0.00 C ATOM 1464 OG SER A 120 -4.212 -12.441 -3.115 1.00 0.00 O ATOM 0 H SER A 120 -1.739 -12.830 -1.516 1.00 0.00 H new ATOM 0 HA SER A 120 -3.215 -14.992 -2.902 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.328 -12.256 -3.929 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.387 -13.387 -4.749 1.00 0.00 H new ATOM 0 HG SER A 120 -4.035 -11.493 -2.938 1.00 0.00 H new ATOM 1470 N ARG A 121 -1.203 -15.966 -3.929 1.00 0.00 N ATOM 1471 CA ARG A 121 -0.045 -16.597 -4.551 1.00 0.00 C ATOM 1472 C ARG A 121 -0.264 -16.797 -6.047 1.00 0.00 C ATOM 1473 O ARG A 121 -0.367 -17.928 -6.524 1.00 0.00 O ATOM 1474 CB ARG A 121 0.239 -17.944 -3.884 1.00 0.00 C ATOM 1475 CG ARG A 121 1.306 -17.881 -2.804 1.00 0.00 C ATOM 1476 CD ARG A 121 2.674 -17.583 -3.397 1.00 0.00 C ATOM 1477 NE ARG A 121 3.117 -18.641 -4.308 1.00 0.00 N ATOM 1478 CZ ARG A 121 3.873 -18.425 -5.382 1.00 0.00 C ATOM 1479 NH1 ARG A 121 4.229 -17.191 -5.704 1.00 0.00 N ATOM 1480 NH2 ARG A 121 4.277 -19.435 -6.136 1.00 0.00 N ATOM 0 H ARG A 121 -1.989 -16.598 -3.777 1.00 0.00 H new ATOM 0 HA ARG A 121 0.812 -15.937 -4.416 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -0.684 -18.325 -3.447 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.549 -18.658 -4.647 1.00 0.00 H new ATOM 0 HG2 ARG A 121 1.046 -17.111 -2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.339 -18.829 -2.266 1.00 0.00 H new ATOM 0 HD2 ARG A 121 2.639 -16.634 -3.932 1.00 0.00 H new ATOM 0 HD3 ARG A 121 3.401 -17.468 -2.593 1.00 0.00 H new ATOM 0 HE ARG A 121 2.829 -19.599 -4.108 1.00 0.00 H new ATOM 0 HH11 ARG A 121 3.924 -16.406 -5.129 1.00 0.00 H new ATOM 0 HH12 ARG A 121 4.808 -17.026 -6.527 1.00 0.00 H new ATOM 0 HH21 ARG A 121 4.009 -20.390 -5.896 1.00 0.00 H new ATOM 0 HH22 ARG A 121 4.856 -19.259 -6.957 1.00 0.00 H new ATOM 1493 N ASN A 122 -0.344 -15.694 -6.779 1.00 0.00 N ATOM 1494 CA ASN A 122 -0.505 -15.743 -8.228 1.00 0.00 C ATOM 1495 C ASN A 122 -0.157 -14.383 -8.830 1.00 0.00 C ATOM 1496 O ASN A 122 -0.216 -13.362 -8.142 1.00 0.00 O ATOM 1497 CB ASN A 122 -1.939 -16.147 -8.596 1.00 0.00 C ATOM 1498 CG ASN A 122 -2.108 -16.413 -10.082 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -1.164 -16.799 -10.769 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -3.317 -16.225 -10.585 1.00 0.00 N ATOM 0 H ASN A 122 -0.300 -14.751 -6.393 1.00 0.00 H new ATOM 0 HA ASN A 122 0.172 -16.493 -8.636 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -2.215 -17.041 -8.037 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -2.625 -15.356 -8.292 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -3.491 -16.401 -11.575 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.075 -15.904 -9.983 1.00 0.00 H new ATOM 1507 N ASP A 123 0.188 -14.369 -10.116 1.00 0.00 N ATOM 1508 CA ASP A 123 0.663 -13.154 -10.786 1.00 0.00 C ATOM 1509 C ASP A 123 -0.489 -12.229 -11.177 1.00 0.00 C ATOM 1510 O ASP A 123 -0.356 -11.389 -12.068 1.00 0.00 O ATOM 1511 CB ASP A 123 1.499 -13.504 -12.024 1.00 0.00 C ATOM 1512 CG ASP A 123 0.715 -14.267 -13.074 1.00 0.00 C ATOM 1513 OD1 ASP A 123 0.586 -15.503 -12.938 1.00 0.00 O ATOM 1514 OD2 ASP A 123 0.243 -13.645 -14.047 1.00 0.00 O ATOM 0 H ASP A 123 0.148 -15.190 -10.720 1.00 0.00 H new ATOM 0 HA ASP A 123 1.291 -12.622 -10.072 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.887 -12.586 -12.465 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.359 -14.099 -11.718 1.00 0.00 H new ATOM 1519 N MET A 124 -1.620 -12.380 -10.501 1.00 0.00 N ATOM 1520 CA MET A 124 -2.742 -11.467 -10.679 1.00 0.00 C ATOM 1521 C MET A 124 -2.644 -10.341 -9.663 1.00 0.00 C ATOM 1522 O MET A 124 -3.437 -9.397 -9.668 1.00 0.00 O ATOM 1523 CB MET A 124 -4.080 -12.198 -10.536 1.00 0.00 C ATOM 1524 CG MET A 124 -4.337 -13.215 -11.634 1.00 0.00 C ATOM 1525 SD MET A 124 -5.885 -14.108 -11.402 1.00 0.00 S ATOM 1526 CE MET A 124 -5.870 -15.175 -12.840 1.00 0.00 C ATOM 0 H MET A 124 -1.785 -13.125 -9.825 1.00 0.00 H new ATOM 0 HA MET A 124 -2.697 -11.053 -11.686 1.00 0.00 H new ATOM 0 HB2 MET A 124 -4.107 -12.703 -9.571 1.00 0.00 H new ATOM 0 HB3 MET A 124 -4.887 -11.465 -10.535 1.00 0.00 H new ATOM 0 HG2 MET A 124 -4.356 -12.707 -12.598 1.00 0.00 H new ATOM 0 HG3 MET A 124 -3.512 -13.927 -11.665 1.00 0.00 H new ATOM 0 HE1 MET A 124 -6.515 -16.035 -12.662 1.00 0.00 H new ATOM 0 HE2 MET A 124 -6.233 -14.623 -13.707 1.00 0.00 H new ATOM 0 HE3 MET A 124 -4.853 -15.518 -13.028 1.00 0.00 H new ATOM 1536 N CYS A 125 -1.654 -10.452 -8.792 1.00 0.00 N ATOM 1537 CA CYS A 125 -1.389 -9.429 -7.798 1.00 0.00 C ATOM 1538 C CYS A 125 -0.436 -8.387 -8.373 1.00 0.00 C ATOM 1539 O CYS A 125 0.545 -8.721 -9.036 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.799 -10.044 -6.526 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.408 -8.831 -5.221 1.00 0.00 S ATOM 0 H CYS A 125 -1.017 -11.248 -8.755 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.331 -8.947 -7.535 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.504 -10.774 -6.128 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.110 -10.587 -6.786 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.742 -7.127 -8.126 1.00 0.00 N ATOM 1547 CA HIS A 126 0.063 -6.028 -8.624 1.00 0.00 C ATOM 1548 C HIS A 126 0.618 -5.249 -7.440 1.00 0.00 C ATOM 1549 O HIS A 126 -0.122 -4.929 -6.509 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.783 -5.110 -9.517 1.00 0.00 C ATOM 1551 CG HIS A 126 -1.477 -5.821 -10.642 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -1.053 -6.139 -11.887 1.00 0.00 N flip ATOM 1553 CD2 HIS A 126 -2.772 -6.291 -10.551 1.00 0.00 C flip ATOM 1554 CE1 HIS A 126 -2.087 -6.789 -12.516 1.00 0.00 C flip ATOM 1555 NE2 HIS A 126 -3.112 -6.868 -11.688 1.00 0.00 N flip ATOM 0 H HIS A 126 -1.552 -6.838 -7.577 1.00 0.00 H new ATOM 0 HA HIS A 126 0.886 -6.419 -9.223 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -1.531 -4.610 -8.901 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -0.141 -4.333 -9.933 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -3.408 -6.200 -9.683 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.065 -7.173 -13.525 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -4.013 -7.301 -11.892 1.00 0.00 H new ATOM 1563 N SER A 127 1.912 -4.974 -7.458 1.00 0.00 N ATOM 1564 CA SER A 127 2.548 -4.239 -6.376 1.00 0.00 C ATOM 1565 C SER A 127 1.990 -2.818 -6.289 1.00 0.00 C ATOM 1566 O SER A 127 1.912 -2.109 -7.297 1.00 0.00 O ATOM 1567 CB SER A 127 4.062 -4.198 -6.593 1.00 0.00 C ATOM 1568 OG SER A 127 4.573 -5.501 -6.842 1.00 0.00 O ATOM 0 H SER A 127 2.543 -5.249 -8.211 1.00 0.00 H new ATOM 0 HA SER A 127 2.336 -4.750 -5.437 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.296 -3.544 -7.433 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.548 -3.774 -5.715 1.00 0.00 H new ATOM 0 HG SER A 127 5.495 -5.559 -6.516 1.00 0.00 H new ATOM 1574 N LEU A 128 1.583 -2.418 -5.090 1.00 0.00 N ATOM 1575 CA LEU A 128 1.045 -1.082 -4.881 1.00 0.00 C ATOM 1576 C LEU A 128 2.185 -0.093 -4.675 1.00 0.00 C ATOM 1577 O LEU A 128 2.913 -0.160 -3.682 1.00 0.00 O ATOM 1578 CB LEU A 128 0.083 -1.066 -3.684 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.803 0.183 -3.553 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.037 -0.138 -2.727 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -0.037 1.335 -2.915 1.00 0.00 C ATOM 0 H LEU A 128 1.616 -2.998 -4.252 1.00 0.00 H new ATOM 0 HA LEU A 128 0.481 -0.786 -5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.563 -1.941 -3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.668 -1.170 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.108 0.489 -4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.658 0.753 -2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.605 -0.930 -3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -1.734 -0.468 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -0.689 2.205 -2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 128 0.300 1.041 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.826 1.584 -3.532 1.00 0.00 H new ATOM 1593 N GLY A 129 2.337 0.808 -5.629 1.00 0.00 N ATOM 1594 CA GLY A 129 3.364 1.815 -5.553 1.00 0.00 C ATOM 1595 C GLY A 129 2.824 3.127 -5.046 1.00 0.00 C ATOM 1596 O GLY A 129 1.851 3.656 -5.588 1.00 0.00 O ATOM 0 H GLY A 129 1.756 0.857 -6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.162 1.472 -4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.805 1.960 -6.539 1.00 0.00 H new ATOM 1600 N LEU A 130 3.445 3.646 -4.007 1.00 0.00 N ATOM 1601 CA LEU A 130 3.069 4.930 -3.461 1.00 0.00 C ATOM 1602 C LEU A 130 4.143 5.957 -3.788 1.00 0.00 C ATOM 1603 O LEU A 130 5.303 5.803 -3.399 1.00 0.00 O ATOM 1604 CB LEU A 130 2.867 4.828 -1.948 1.00 0.00 C ATOM 1605 CG LEU A 130 2.485 6.134 -1.245 1.00 0.00 C ATOM 1606 CD1 LEU A 130 1.214 6.721 -1.843 1.00 0.00 C ATOM 1607 CD2 LEU A 130 2.315 5.899 0.250 1.00 0.00 C ATOM 0 H LEU A 130 4.219 3.192 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 130 2.127 5.247 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.090 4.089 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.786 4.450 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 130 3.291 6.852 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.963 7.648 -1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.371 6.926 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.396 6.010 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.044 6.836 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.528 5.163 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.251 5.530 0.669 1.00 0.00 H new ATOM 1619 N THR A 131 3.766 6.983 -4.529 1.00 0.00 N ATOM 1620 CA THR A 131 4.689 8.037 -4.897 1.00 0.00 C ATOM 1621 C THR A 131 4.362 9.315 -4.137 1.00 0.00 C ATOM 1622 O THR A 131 3.479 10.074 -4.527 1.00 0.00 O ATOM 1623 CB THR A 131 4.642 8.305 -6.413 1.00 0.00 C ATOM 1624 OG1 THR A 131 4.829 7.072 -7.119 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.713 9.305 -6.832 1.00 0.00 C ATOM 0 H THR A 131 2.820 7.107 -4.889 1.00 0.00 H new ATOM 0 HA THR A 131 5.695 7.711 -4.634 1.00 0.00 H new ATOM 0 HB THR A 131 3.669 8.731 -6.657 1.00 0.00 H new ATOM 0 HG1 THR A 131 4.798 7.240 -8.084 1.00 0.00 H new ATOM 0 HG21 THR A 131 5.653 9.473 -7.907 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.555 10.248 -6.308 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.697 8.911 -6.580 1.00 0.00 H new ATOM 1633 N CYS A 132 5.061 9.527 -3.039 1.00 0.00 N ATOM 1634 CA CYS A 132 4.892 10.727 -2.243 1.00 0.00 C ATOM 1635 C CYS A 132 5.891 11.783 -2.695 1.00 0.00 C ATOM 1636 O CYS A 132 6.958 11.457 -3.222 1.00 0.00 O ATOM 1637 CB CYS A 132 5.106 10.416 -0.759 1.00 0.00 C ATOM 1638 SG CYS A 132 4.134 9.006 -0.134 1.00 0.00 S ATOM 0 H CYS A 132 5.758 8.877 -2.675 1.00 0.00 H new ATOM 0 HA CYS A 132 3.878 11.102 -2.380 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.164 10.214 -0.592 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.855 11.302 -0.175 1.00 0.00 H new ATOM 1643 N LEU A 133 5.532 13.044 -2.510 1.00 0.00 N ATOM 1644 CA LEU A 133 6.413 14.148 -2.850 1.00 0.00 C ATOM 1645 C LEU A 133 7.604 14.167 -1.896 1.00 0.00 C ATOM 1646 O LEU A 133 7.450 13.901 -0.706 1.00 0.00 O ATOM 1647 CB LEU A 133 5.645 15.467 -2.753 1.00 0.00 C ATOM 1648 CG LEU A 133 6.291 16.658 -3.457 1.00 0.00 C ATOM 1649 CD1 LEU A 133 6.026 16.602 -4.951 1.00 0.00 C ATOM 1650 CD2 LEU A 133 5.774 17.958 -2.866 1.00 0.00 C ATOM 0 H LEU A 133 4.632 13.328 -2.124 1.00 0.00 H new ATOM 0 HA LEU A 133 6.776 14.021 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 133 4.649 15.318 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 133 5.517 15.716 -1.700 1.00 0.00 H new ATOM 0 HG LEU A 133 7.369 16.613 -3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 133 6.494 17.459 -5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 133 6.442 15.681 -5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.951 16.626 -5.131 1.00 0.00 H new ATOM 0 HD21 LEU A 133 6.241 18.801 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 133 4.693 18.011 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.016 17.997 -1.804 1.00 0.00 H new ATOM 1662 N GLU A 134 8.787 14.452 -2.417 1.00 0.00 N ATOM 1663 CA GLU A 134 9.972 14.562 -1.577 1.00 0.00 C ATOM 1664 C GLU A 134 10.100 15.983 -1.055 1.00 0.00 C ATOM 1665 O GLU A 134 10.447 16.876 -1.856 1.00 0.00 O ATOM 1666 CB GLU A 134 11.242 14.178 -2.344 1.00 0.00 C ATOM 1667 CG GLU A 134 11.288 12.728 -2.793 1.00 0.00 C ATOM 1668 CD GLU A 134 12.596 12.388 -3.471 1.00 0.00 C ATOM 1669 OE1 GLU A 134 12.719 12.637 -4.690 1.00 0.00 O ATOM 1670 OE2 GLU A 134 13.512 11.884 -2.790 1.00 0.00 O ATOM 1671 OXT GLU A 134 9.852 16.205 0.149 1.00 0.00 O ATOM 0 H GLU A 134 8.953 14.611 -3.411 1.00 0.00 H new ATOM 0 HA GLU A 134 9.859 13.869 -0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.331 14.820 -3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 134 12.108 14.378 -1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 134 11.146 12.076 -1.931 1.00 0.00 H new ATOM 0 HG3 GLU A 134 10.463 12.534 -3.478 1.00 0.00 H new