USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 735 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 124 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 127 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Set 2.1: A 59 THR OG1 : rot -37:sc= 0.281 USER MOD Set 2.2: A 65 ASN : amide:sc= 0 X(o=0.28,f=0.24) USER MOD Set 3.1: A 36 MET CE :methyl 165:sc= -0.209 (180deg=-0.69) USER MOD Set 3.2: A 91 GLN : amide:sc= -5.25! C(o=-5.5!,f=-9.9!) USER MOD Single : A 26 ASN :FLIP amide:sc= 0.707 F(o=-0.5,f=0.71) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= 1.23 (180deg=0.842) USER MOD Single : A 34 THR OG1 : rot 62:sc= 1.24 USER MOD Single : A 38 GLN : amide:sc= -0.201 K(o=-0.2,f=-0.81) USER MOD Single : A 39 THR OG1 : rot 68:sc= 1.14 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00245 USER MOD Single : A 54 HIS : no HD1:sc= -0.025 X(o=-0.025,f=-0.028) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -102:sc=0.000169 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.97! USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -158:sc= -0.177 (180deg=-0.748) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -90:sc= 1.02 USER MOD Single : A 95 ASN :FLIP amide:sc= -0.0324 F(o=-1.1!,f=-0.032) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 159:sc= -0.595 (180deg=-1.27) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 35 N ASN A 26 -18.491 -8.991 -5.803 1.00 0.00 N ATOM 36 CA ASN A 26 -17.273 -8.338 -5.314 1.00 0.00 C ATOM 37 C ASN A 26 -16.604 -7.468 -6.375 1.00 0.00 C ATOM 38 O ASN A 26 -15.598 -6.819 -6.099 1.00 0.00 O ATOM 39 CB ASN A 26 -16.268 -9.376 -4.800 1.00 0.00 C ATOM 40 CG ASN A 26 -16.717 -10.063 -3.521 1.00 0.00 C ATOM 41 OD1 ASN A 26 -15.758 -10.446 -2.691 1.00 0.00 O flip ATOM 42 ND2 ASN A 26 -17.912 -10.242 -3.275 1.00 0.00 N flip ATOM 0 HA ASN A 26 -17.583 -7.687 -4.497 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -16.107 -10.129 -5.572 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -15.309 -8.888 -4.625 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -18.621 -9.933 -3.939 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -18.191 -10.699 -2.407 1.00 0.00 H new ATOM 49 N TYR A 27 -17.158 -7.453 -7.580 1.00 0.00 N ATOM 50 CA TYR A 27 -16.644 -6.608 -8.653 1.00 0.00 C ATOM 51 C TYR A 27 -16.758 -5.133 -8.279 1.00 0.00 C ATOM 52 O TYR A 27 -15.926 -4.313 -8.674 1.00 0.00 O ATOM 53 CB TYR A 27 -17.402 -6.868 -9.957 1.00 0.00 C ATOM 54 CG TYR A 27 -17.228 -8.273 -10.494 1.00 0.00 C ATOM 55 CD1 TYR A 27 -17.981 -9.327 -9.992 1.00 0.00 C ATOM 56 CD2 TYR A 27 -16.313 -8.546 -11.504 1.00 0.00 C ATOM 57 CE1 TYR A 27 -17.825 -10.610 -10.478 1.00 0.00 C ATOM 58 CE2 TYR A 27 -16.154 -9.827 -11.996 1.00 0.00 C ATOM 59 CZ TYR A 27 -16.912 -10.854 -11.478 1.00 0.00 C ATOM 60 OH TYR A 27 -16.755 -12.133 -11.959 1.00 0.00 O ATOM 0 H TYR A 27 -17.966 -8.018 -7.841 1.00 0.00 H new ATOM 0 HA TYR A 27 -15.593 -6.856 -8.799 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -18.463 -6.680 -9.793 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -17.065 -6.156 -10.711 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -18.700 -9.140 -9.209 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -15.716 -7.743 -11.911 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -18.417 -11.418 -10.075 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -15.440 -10.022 -12.782 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.073 -12.136 -12.663 1.00 0.00 H new ATOM 70 N LEU A 28 -17.780 -4.803 -7.500 1.00 0.00 N ATOM 71 CA LEU A 28 -17.998 -3.428 -7.077 1.00 0.00 C ATOM 72 C LEU A 28 -17.069 -3.090 -5.920 1.00 0.00 C ATOM 73 O LEU A 28 -16.523 -1.988 -5.845 1.00 0.00 O ATOM 74 CB LEU A 28 -19.459 -3.205 -6.674 1.00 0.00 C ATOM 75 CG LEU A 28 -20.496 -3.493 -7.767 1.00 0.00 C ATOM 76 CD1 LEU A 28 -21.894 -3.149 -7.278 1.00 0.00 C ATOM 77 CD2 LEU A 28 -20.172 -2.718 -9.037 1.00 0.00 C ATOM 0 H LEU A 28 -18.469 -5.468 -7.149 1.00 0.00 H new ATOM 0 HA LEU A 28 -17.777 -2.767 -7.915 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -19.680 -3.835 -5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -19.575 -2.170 -6.351 1.00 0.00 H new ATOM 0 HG LEU A 28 -20.461 -4.558 -7.998 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -22.617 -3.359 -8.066 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -22.130 -3.749 -6.399 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -21.938 -2.091 -7.018 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -20.921 -2.938 -9.798 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -20.176 -1.649 -8.822 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -19.187 -3.011 -9.401 1.00 0.00 H new ATOM 89 N ARG A 29 -16.893 -4.052 -5.024 1.00 0.00 N ATOM 90 CA ARG A 29 -15.916 -3.945 -3.949 1.00 0.00 C ATOM 91 C ARG A 29 -14.526 -3.764 -4.535 1.00 0.00 C ATOM 92 O ARG A 29 -13.743 -2.932 -4.078 1.00 0.00 O ATOM 93 CB ARG A 29 -15.965 -5.203 -3.073 1.00 0.00 C ATOM 94 CG ARG A 29 -14.734 -5.415 -2.209 1.00 0.00 C ATOM 95 CD ARG A 29 -14.909 -6.608 -1.280 1.00 0.00 C ATOM 96 NE ARG A 29 -15.965 -6.376 -0.298 1.00 0.00 N ATOM 97 CZ ARG A 29 -16.904 -7.264 0.027 1.00 0.00 C ATOM 98 NH1 ARG A 29 -16.922 -8.468 -0.530 1.00 0.00 N ATOM 99 NH2 ARG A 29 -17.825 -6.942 0.924 1.00 0.00 N ATOM 0 H ARG A 29 -17.421 -4.925 -5.022 1.00 0.00 H new ATOM 0 HA ARG A 29 -16.153 -3.079 -3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -16.842 -5.147 -2.428 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -16.097 -6.073 -3.716 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.863 -5.572 -2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -14.541 -4.518 -1.620 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -15.146 -7.495 -1.867 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.970 -6.809 -0.764 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.985 -5.471 0.172 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.211 -8.723 -1.216 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.646 -9.138 -0.272 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -17.812 -6.020 1.360 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -18.547 -7.616 1.178 1.00 0.00 H new ATOM 113 N LYS A 30 -14.240 -4.545 -5.563 1.00 0.00 N ATOM 114 CA LYS A 30 -12.967 -4.479 -6.246 1.00 0.00 C ATOM 115 C LYS A 30 -12.776 -3.102 -6.868 1.00 0.00 C ATOM 116 O LYS A 30 -11.715 -2.495 -6.728 1.00 0.00 O ATOM 117 CB LYS A 30 -12.888 -5.567 -7.322 1.00 0.00 C ATOM 118 CG LYS A 30 -11.472 -5.861 -7.785 1.00 0.00 C ATOM 119 CD LYS A 30 -10.674 -6.578 -6.704 1.00 0.00 C ATOM 120 CE LYS A 30 -11.097 -8.033 -6.556 1.00 0.00 C ATOM 121 NZ LYS A 30 -10.747 -8.833 -7.761 1.00 0.00 N ATOM 0 H LYS A 30 -14.884 -5.239 -5.944 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.170 -4.647 -5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.332 -6.484 -6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.486 -5.262 -8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.502 -6.475 -8.685 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.973 -4.929 -8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.612 -6.532 -6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.807 -6.063 -5.753 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.614 -8.465 -5.679 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.172 -8.084 -6.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.828 -9.846 -7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.397 -8.594 -8.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.771 -8.618 -8.049 1.00 0.00 H new ATOM 135 N ALA A 31 -13.806 -2.615 -7.557 1.00 0.00 N ATOM 136 CA ALA A 31 -13.777 -1.282 -8.148 1.00 0.00 C ATOM 137 C ALA A 31 -13.560 -0.202 -7.101 1.00 0.00 C ATOM 138 O ALA A 31 -12.846 0.766 -7.346 1.00 0.00 O ATOM 139 CB ALA A 31 -15.064 -1.016 -8.910 1.00 0.00 C ATOM 0 H ALA A 31 -14.673 -3.127 -7.719 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.934 -1.249 -8.838 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -15.029 -0.018 -9.346 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -15.176 -1.755 -9.704 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -15.911 -1.085 -8.228 1.00 0.00 H new ATOM 145 N ALA A 32 -14.166 -0.371 -5.932 1.00 0.00 N ATOM 146 CA ALA A 32 -14.015 0.598 -4.856 1.00 0.00 C ATOM 147 C ALA A 32 -12.564 0.658 -4.407 1.00 0.00 C ATOM 148 O ALA A 32 -12.006 1.735 -4.186 1.00 0.00 O ATOM 149 CB ALA A 32 -14.919 0.244 -3.685 1.00 0.00 C ATOM 0 H ALA A 32 -14.764 -1.166 -5.706 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.308 1.579 -5.229 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.791 0.980 -2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.958 0.242 -4.015 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.656 -0.745 -3.309 1.00 0.00 H new ATOM 155 N LEU A 33 -11.955 -0.509 -4.293 1.00 0.00 N ATOM 156 CA LEU A 33 -10.554 -0.607 -3.918 1.00 0.00 C ATOM 157 C LEU A 33 -9.670 -0.069 -5.034 1.00 0.00 C ATOM 158 O LEU A 33 -8.667 0.600 -4.784 1.00 0.00 O ATOM 159 CB LEU A 33 -10.195 -2.063 -3.616 1.00 0.00 C ATOM 160 CG LEU A 33 -11.063 -2.731 -2.548 1.00 0.00 C ATOM 161 CD1 LEU A 33 -10.660 -4.183 -2.363 1.00 0.00 C ATOM 162 CD2 LEU A 33 -10.977 -1.975 -1.230 1.00 0.00 C ATOM 0 H LEU A 33 -12.411 -1.407 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.387 -0.008 -3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.271 -2.640 -4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.154 -2.107 -3.297 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.099 -2.704 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.289 -4.641 -1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.785 -4.718 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.617 -4.234 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.602 -2.469 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.943 -1.962 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.324 -0.952 -1.374 1.00 0.00 H new ATOM 174 N THR A 34 -10.064 -0.352 -6.269 1.00 0.00 N ATOM 175 CA THR A 34 -9.328 0.107 -7.435 1.00 0.00 C ATOM 176 C THR A 34 -9.390 1.627 -7.542 1.00 0.00 C ATOM 177 O THR A 34 -8.399 2.277 -7.873 1.00 0.00 O ATOM 178 CB THR A 34 -9.882 -0.528 -8.726 1.00 0.00 C ATOM 179 OG1 THR A 34 -9.869 -1.958 -8.612 1.00 0.00 O ATOM 180 CG2 THR A 34 -9.061 -0.109 -9.936 1.00 0.00 C ATOM 0 H THR A 34 -10.895 -0.901 -6.487 1.00 0.00 H new ATOM 0 HA THR A 34 -8.289 -0.201 -7.314 1.00 0.00 H new ATOM 0 HB THR A 34 -10.906 -0.179 -8.863 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.449 -2.232 -7.871 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.473 -0.571 -10.833 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.092 0.976 -10.039 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.028 -0.431 -9.804 1.00 0.00 H new ATOM 188 N ASP A 35 -10.550 2.188 -7.227 1.00 0.00 N ATOM 189 CA ASP A 35 -10.737 3.632 -7.276 1.00 0.00 C ATOM 190 C ASP A 35 -9.901 4.293 -6.195 1.00 0.00 C ATOM 191 O ASP A 35 -9.302 5.347 -6.414 1.00 0.00 O ATOM 192 CB ASP A 35 -12.214 3.993 -7.093 1.00 0.00 C ATOM 193 CG ASP A 35 -12.488 5.464 -7.341 1.00 0.00 C ATOM 194 OD1 ASP A 35 -12.881 5.815 -8.479 1.00 0.00 O ATOM 195 OD2 ASP A 35 -12.328 6.276 -6.410 1.00 0.00 O ATOM 0 H ASP A 35 -11.376 1.665 -6.935 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.415 3.993 -8.253 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.818 3.394 -7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.525 3.734 -6.081 1.00 0.00 H new ATOM 200 N MET A 36 -9.849 3.655 -5.031 1.00 0.00 N ATOM 201 CA MET A 36 -9.012 4.137 -3.938 1.00 0.00 C ATOM 202 C MET A 36 -7.543 4.083 -4.341 1.00 0.00 C ATOM 203 O MET A 36 -6.782 5.011 -4.076 1.00 0.00 O ATOM 204 CB MET A 36 -9.242 3.323 -2.659 1.00 0.00 C ATOM 205 CG MET A 36 -8.323 3.735 -1.522 1.00 0.00 C ATOM 206 SD MET A 36 -8.499 5.477 -1.094 1.00 0.00 S ATOM 207 CE MET A 36 -7.139 5.676 0.053 1.00 0.00 C ATOM 0 H MET A 36 -10.374 2.806 -4.820 1.00 0.00 H new ATOM 0 HA MET A 36 -9.289 5.171 -3.731 1.00 0.00 H new ATOM 0 HB2 MET A 36 -10.278 3.439 -2.342 1.00 0.00 H new ATOM 0 HB3 MET A 36 -9.092 2.265 -2.876 1.00 0.00 H new ATOM 0 HG2 MET A 36 -8.538 3.125 -0.645 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.289 3.535 -1.803 1.00 0.00 H new ATOM 0 HE1 MET A 36 -6.943 6.738 0.204 1.00 0.00 H new ATOM 0 HE2 MET A 36 -7.397 5.215 1.006 1.00 0.00 H new ATOM 0 HE3 MET A 36 -6.248 5.197 -0.353 1.00 0.00 H new ATOM 217 N LEU A 37 -7.154 2.997 -5.000 1.00 0.00 N ATOM 218 CA LEU A 37 -5.797 2.861 -5.514 1.00 0.00 C ATOM 219 C LEU A 37 -5.495 3.976 -6.510 1.00 0.00 C ATOM 220 O LEU A 37 -4.439 4.602 -6.458 1.00 0.00 O ATOM 221 CB LEU A 37 -5.615 1.502 -6.192 1.00 0.00 C ATOM 222 CG LEU A 37 -4.218 1.242 -6.768 1.00 0.00 C ATOM 223 CD1 LEU A 37 -3.229 0.904 -5.661 1.00 0.00 C ATOM 224 CD2 LEU A 37 -4.270 0.130 -7.803 1.00 0.00 C ATOM 0 H LEU A 37 -7.759 2.198 -5.191 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.104 2.933 -4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.844 0.719 -5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.345 1.415 -6.997 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.874 2.153 -7.258 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.245 0.724 -6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.170 1.736 -4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.563 0.010 -5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.271 -0.042 -8.202 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.637 -0.784 -7.337 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.940 0.418 -8.613 1.00 0.00 H new ATOM 236 N GLN A 38 -6.443 4.232 -7.404 1.00 0.00 N ATOM 237 CA GLN A 38 -6.293 5.271 -8.415 1.00 0.00 C ATOM 238 C GLN A 38 -6.275 6.663 -7.786 1.00 0.00 C ATOM 239 O GLN A 38 -5.781 7.612 -8.384 1.00 0.00 O ATOM 240 CB GLN A 38 -7.405 5.174 -9.461 1.00 0.00 C ATOM 241 CG GLN A 38 -7.293 3.952 -10.362 1.00 0.00 C ATOM 242 CD GLN A 38 -5.989 3.915 -11.143 1.00 0.00 C ATOM 243 OE1 GLN A 38 -5.415 4.954 -11.465 1.00 0.00 O ATOM 244 NE2 GLN A 38 -5.515 2.719 -11.458 1.00 0.00 N ATOM 0 H GLN A 38 -7.330 3.730 -7.449 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.334 5.113 -8.909 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.369 5.152 -8.953 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.390 6.072 -10.078 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.374 3.050 -9.755 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.130 3.943 -11.060 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.019 1.879 -11.173 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.646 2.638 -11.985 1.00 0.00 H new ATOM 253 N THR A 39 -6.857 6.787 -6.602 1.00 0.00 N ATOM 254 CA THR A 39 -6.765 8.021 -5.830 1.00 0.00 C ATOM 255 C THR A 39 -5.383 8.134 -5.172 1.00 0.00 C ATOM 256 O THR A 39 -4.813 9.222 -5.058 1.00 0.00 O ATOM 257 CB THR A 39 -7.868 8.076 -4.751 1.00 0.00 C ATOM 258 OG1 THR A 39 -9.152 7.838 -5.351 1.00 0.00 O ATOM 259 CG2 THR A 39 -7.881 9.430 -4.051 1.00 0.00 C ATOM 0 H THR A 39 -7.399 6.048 -6.153 1.00 0.00 H new ATOM 0 HA THR A 39 -6.905 8.860 -6.511 1.00 0.00 H new ATOM 0 HB THR A 39 -7.657 7.303 -4.012 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.203 6.908 -5.656 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.667 9.442 -3.296 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.916 9.602 -3.573 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.069 10.216 -4.782 1.00 0.00 H new ATOM 267 N PHE A 40 -4.848 6.990 -4.765 1.00 0.00 N ATOM 268 CA PHE A 40 -3.547 6.919 -4.109 1.00 0.00 C ATOM 269 C PHE A 40 -2.412 7.213 -5.094 1.00 0.00 C ATOM 270 O PHE A 40 -1.407 7.823 -4.728 1.00 0.00 O ATOM 271 CB PHE A 40 -3.369 5.533 -3.480 1.00 0.00 C ATOM 272 CG PHE A 40 -2.128 5.369 -2.645 1.00 0.00 C ATOM 273 CD1 PHE A 40 -1.394 4.195 -2.714 1.00 0.00 C ATOM 274 CD2 PHE A 40 -1.700 6.374 -1.790 1.00 0.00 C ATOM 275 CE1 PHE A 40 -0.259 4.024 -1.950 1.00 0.00 C ATOM 276 CE2 PHE A 40 -0.561 6.210 -1.023 1.00 0.00 C ATOM 277 CZ PHE A 40 0.161 5.033 -1.103 1.00 0.00 C ATOM 0 H PHE A 40 -5.303 6.085 -4.880 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.508 7.678 -3.328 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.238 5.318 -2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.354 4.788 -4.276 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.715 3.404 -3.375 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -2.262 7.294 -1.723 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.301 3.103 -2.013 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.236 7.000 -0.362 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.051 4.902 -0.505 1.00 0.00 H new ATOM 287 N VAL A 41 -2.581 6.768 -6.340 1.00 0.00 N ATOM 288 CA VAL A 41 -1.561 6.934 -7.381 1.00 0.00 C ATOM 289 C VAL A 41 -1.076 8.391 -7.520 1.00 0.00 C ATOM 290 O VAL A 41 0.132 8.630 -7.525 1.00 0.00 O ATOM 291 CB VAL A 41 -2.050 6.407 -8.752 1.00 0.00 C ATOM 292 CG1 VAL A 41 -1.051 6.733 -9.851 1.00 0.00 C ATOM 293 CG2 VAL A 41 -2.286 4.907 -8.690 1.00 0.00 C ATOM 0 H VAL A 41 -3.422 6.285 -6.656 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.711 6.334 -7.056 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.991 6.904 -8.986 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.420 6.351 -10.803 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.924 7.813 -9.918 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.092 6.268 -9.621 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.629 4.552 -9.662 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.356 4.403 -8.428 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.042 4.689 -7.936 1.00 0.00 H new ATOM 303 N PRO A 42 -1.985 9.387 -7.644 1.00 0.00 N ATOM 304 CA PRO A 42 -1.588 10.796 -7.687 1.00 0.00 C ATOM 305 C PRO A 42 -0.691 11.188 -6.519 1.00 0.00 C ATOM 306 O PRO A 42 0.292 11.912 -6.704 1.00 0.00 O ATOM 307 CB PRO A 42 -2.909 11.557 -7.619 1.00 0.00 C ATOM 308 CG PRO A 42 -3.918 10.611 -8.158 1.00 0.00 C ATOM 309 CD PRO A 42 -3.439 9.233 -7.794 1.00 0.00 C ATOM 0 HA PRO A 42 -1.005 11.015 -8.581 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.146 11.848 -6.596 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.869 12.472 -8.209 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.902 10.806 -7.731 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.013 10.717 -9.239 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.900 8.882 -6.871 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.685 8.508 -8.569 1.00 0.00 H new ATOM 317 N TYR A 43 -1.018 10.719 -5.314 1.00 0.00 N ATOM 318 CA TYR A 43 -0.192 11.006 -4.146 1.00 0.00 C ATOM 319 C TYR A 43 1.144 10.289 -4.242 1.00 0.00 C ATOM 320 O TYR A 43 2.163 10.801 -3.784 1.00 0.00 O ATOM 321 CB TYR A 43 -0.909 10.591 -2.856 1.00 0.00 C ATOM 322 CG TYR A 43 -2.157 11.400 -2.560 1.00 0.00 C ATOM 323 CD1 TYR A 43 -3.426 10.868 -2.769 1.00 0.00 C ATOM 324 CD2 TYR A 43 -2.066 12.700 -2.073 1.00 0.00 C ATOM 325 CE1 TYR A 43 -4.562 11.607 -2.500 1.00 0.00 C ATOM 326 CE2 TYR A 43 -3.199 13.442 -1.802 1.00 0.00 C ATOM 327 CZ TYR A 43 -4.443 12.892 -2.017 1.00 0.00 C ATOM 328 OH TYR A 43 -5.572 13.634 -1.752 1.00 0.00 O ATOM 0 H TYR A 43 -1.840 10.145 -5.124 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.015 12.081 -4.121 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.179 9.537 -2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.217 10.689 -2.019 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.524 9.861 -3.148 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.093 13.136 -1.904 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.539 11.179 -2.668 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.110 14.449 -1.423 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.312 14.517 -1.417 1.00 0.00 H new ATOM 338 N ARG A 44 1.131 9.109 -4.846 1.00 0.00 N ATOM 339 CA ARG A 44 2.346 8.329 -5.048 1.00 0.00 C ATOM 340 C ARG A 44 3.387 9.157 -5.775 1.00 0.00 C ATOM 341 O ARG A 44 4.504 9.305 -5.296 1.00 0.00 O ATOM 342 CB ARG A 44 2.042 7.054 -5.836 1.00 0.00 C ATOM 343 CG ARG A 44 1.261 6.021 -5.043 1.00 0.00 C ATOM 344 CD ARG A 44 2.190 5.054 -4.309 1.00 0.00 C ATOM 345 NE ARG A 44 3.178 5.743 -3.478 1.00 0.00 N ATOM 346 CZ ARG A 44 4.481 5.794 -3.766 1.00 0.00 C ATOM 347 NH1 ARG A 44 4.956 5.155 -4.829 1.00 0.00 N ATOM 348 NH2 ARG A 44 5.310 6.468 -2.984 1.00 0.00 N ATOM 0 H ARG A 44 0.286 8.667 -5.208 1.00 0.00 H new ATOM 0 HA ARG A 44 2.740 8.047 -4.072 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.477 7.316 -6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.980 6.611 -6.169 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.617 6.525 -4.322 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.610 5.462 -5.715 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.595 4.389 -3.683 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.706 4.429 -5.037 1.00 0.00 H new ATOM 0 HE ARG A 44 2.853 6.210 -2.632 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.325 4.623 -5.428 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.952 5.196 -5.046 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.954 6.950 -2.159 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.305 6.505 -3.207 1.00 0.00 H new ATOM 362 N THR A 45 3.005 9.711 -6.916 1.00 0.00 N ATOM 363 CA THR A 45 3.885 10.585 -7.680 1.00 0.00 C ATOM 364 C THR A 45 4.462 11.712 -6.817 1.00 0.00 C ATOM 365 O THR A 45 5.654 11.999 -6.886 1.00 0.00 O ATOM 366 CB THR A 45 3.123 11.182 -8.875 1.00 0.00 C ATOM 367 OG1 THR A 45 2.458 10.135 -9.593 1.00 0.00 O ATOM 368 CG2 THR A 45 4.064 11.924 -9.814 1.00 0.00 C ATOM 0 H THR A 45 2.086 9.570 -7.336 1.00 0.00 H new ATOM 0 HA THR A 45 4.719 9.981 -8.038 1.00 0.00 H new ATOM 0 HB THR A 45 2.391 11.893 -8.491 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.972 10.517 -10.353 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.496 12.335 -10.649 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.552 12.735 -9.274 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.818 11.234 -10.193 1.00 0.00 H new ATOM 376 N ALA A 46 3.629 12.320 -5.980 1.00 0.00 N ATOM 377 CA ALA A 46 4.082 13.393 -5.095 1.00 0.00 C ATOM 378 C ALA A 46 5.098 12.865 -4.082 1.00 0.00 C ATOM 379 O ALA A 46 6.075 13.536 -3.741 1.00 0.00 O ATOM 380 CB ALA A 46 2.894 14.019 -4.378 1.00 0.00 C ATOM 0 H ALA A 46 2.639 12.091 -5.894 1.00 0.00 H new ATOM 0 HA ALA A 46 4.569 14.157 -5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.244 14.816 -3.722 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.202 14.431 -5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.385 13.259 -3.785 1.00 0.00 H new ATOM 386 N VAL A 47 4.860 11.644 -3.630 1.00 0.00 N ATOM 387 CA VAL A 47 5.743 10.995 -2.673 1.00 0.00 C ATOM 388 C VAL A 47 7.075 10.641 -3.335 1.00 0.00 C ATOM 389 O VAL A 47 8.139 10.826 -2.746 1.00 0.00 O ATOM 390 CB VAL A 47 5.108 9.724 -2.059 1.00 0.00 C ATOM 391 CG1 VAL A 47 6.095 9.024 -1.134 1.00 0.00 C ATOM 392 CG2 VAL A 47 3.832 10.068 -1.303 1.00 0.00 C ATOM 0 H VAL A 47 4.058 11.080 -3.912 1.00 0.00 H new ATOM 0 HA VAL A 47 5.914 11.703 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 47 4.854 9.047 -2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.630 8.133 -0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.982 8.737 -1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.381 9.700 -0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.403 9.159 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.062 10.768 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.115 10.523 -1.987 1.00 0.00 H new ATOM 402 N GLU A 48 7.008 10.167 -4.575 1.00 0.00 N ATOM 403 CA GLU A 48 8.211 9.795 -5.315 1.00 0.00 C ATOM 404 C GLU A 48 9.028 11.039 -5.644 1.00 0.00 C ATOM 405 O GLU A 48 10.255 11.024 -5.573 1.00 0.00 O ATOM 406 CB GLU A 48 7.856 9.057 -6.611 1.00 0.00 C ATOM 407 CG GLU A 48 6.856 7.925 -6.433 1.00 0.00 C ATOM 408 CD GLU A 48 7.359 6.798 -5.555 1.00 0.00 C ATOM 409 OE1 GLU A 48 7.521 7.006 -4.337 1.00 0.00 O ATOM 410 OE2 GLU A 48 7.537 5.678 -6.077 1.00 0.00 O ATOM 0 H GLU A 48 6.137 10.031 -5.088 1.00 0.00 H new ATOM 0 HA GLU A 48 8.800 9.127 -4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.451 9.775 -7.325 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.770 8.654 -7.048 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.939 8.327 -6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.598 7.523 -7.413 1.00 0.00 H new ATOM 417 N LEU A 49 8.336 12.116 -6.007 1.00 0.00 N ATOM 418 CA LEU A 49 8.988 13.395 -6.273 1.00 0.00 C ATOM 419 C LEU A 49 9.685 13.900 -5.021 1.00 0.00 C ATOM 420 O LEU A 49 10.775 14.464 -5.085 1.00 0.00 O ATOM 421 CB LEU A 49 7.971 14.430 -6.766 1.00 0.00 C ATOM 422 CG LEU A 49 7.859 14.581 -8.289 1.00 0.00 C ATOM 423 CD1 LEU A 49 9.145 15.151 -8.865 1.00 0.00 C ATOM 424 CD2 LEU A 49 7.530 13.252 -8.950 1.00 0.00 C ATOM 0 H LEU A 49 7.323 12.128 -6.124 1.00 0.00 H new ATOM 0 HA LEU A 49 9.732 13.244 -7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.990 14.164 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.232 15.399 -6.342 1.00 0.00 H new ATOM 0 HG LEU A 49 7.044 15.274 -8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.047 15.251 -9.946 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.338 16.130 -8.426 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.974 14.481 -8.636 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.457 13.390 -10.029 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.317 12.531 -8.729 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.580 12.880 -8.567 1.00 0.00 H new ATOM 436 N CYS A 50 9.040 13.694 -3.885 1.00 0.00 N ATOM 437 CA CYS A 50 9.638 14.002 -2.598 1.00 0.00 C ATOM 438 C CYS A 50 10.888 13.147 -2.378 1.00 0.00 C ATOM 439 O CYS A 50 11.966 13.667 -2.076 1.00 0.00 O ATOM 440 CB CYS A 50 8.607 13.772 -1.489 1.00 0.00 C ATOM 441 SG CYS A 50 9.307 13.621 0.181 1.00 0.00 S ATOM 0 H CYS A 50 8.096 13.312 -3.829 1.00 0.00 H new ATOM 0 HA CYS A 50 9.943 15.048 -2.577 1.00 0.00 H new ATOM 0 HB2 CYS A 50 7.896 14.598 -1.496 1.00 0.00 H new ATOM 0 HB3 CYS A 50 8.046 12.866 -1.716 1.00 0.00 H new ATOM 446 N ALA A 51 10.732 11.836 -2.542 1.00 0.00 N ATOM 447 CA ALA A 51 11.845 10.897 -2.421 1.00 0.00 C ATOM 448 C ALA A 51 13.021 11.278 -3.314 1.00 0.00 C ATOM 449 O ALA A 51 14.172 11.102 -2.934 1.00 0.00 O ATOM 450 CB ALA A 51 11.385 9.487 -2.756 1.00 0.00 C ATOM 0 H ALA A 51 9.838 11.397 -2.761 1.00 0.00 H new ATOM 0 HA ALA A 51 12.186 10.938 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.225 8.798 -2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.593 9.190 -2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.007 9.461 -3.778 1.00 0.00 H new ATOM 456 N LEU A 52 12.734 11.820 -4.486 1.00 0.00 N ATOM 457 CA LEU A 52 13.780 12.152 -5.451 1.00 0.00 C ATOM 458 C LEU A 52 14.580 13.381 -5.024 1.00 0.00 C ATOM 459 O LEU A 52 15.716 13.570 -5.456 1.00 0.00 O ATOM 460 CB LEU A 52 13.178 12.387 -6.842 1.00 0.00 C ATOM 461 CG LEU A 52 12.602 11.142 -7.532 1.00 0.00 C ATOM 462 CD1 LEU A 52 11.990 11.510 -8.874 1.00 0.00 C ATOM 463 CD2 LEU A 52 13.677 10.078 -7.715 1.00 0.00 C ATOM 0 H LEU A 52 11.788 12.041 -4.796 1.00 0.00 H new ATOM 0 HA LEU A 52 14.460 11.301 -5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.387 13.132 -6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 52 13.948 12.814 -7.485 1.00 0.00 H new ATOM 0 HG LEU A 52 11.819 10.733 -6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.587 10.615 -9.348 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.188 12.233 -8.722 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.755 11.947 -9.515 1.00 0.00 H new ATOM 0 HD21 LEU A 52 13.246 9.206 -8.206 1.00 0.00 H new ATOM 0 HD22 LEU A 52 14.484 10.478 -8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.072 9.788 -6.741 1.00 0.00 H new ATOM 475 N GLU A 53 13.992 14.209 -4.170 1.00 0.00 N ATOM 476 CA GLU A 53 14.650 15.431 -3.715 1.00 0.00 C ATOM 477 C GLU A 53 15.777 15.114 -2.730 1.00 0.00 C ATOM 478 O GLU A 53 16.824 15.765 -2.736 1.00 0.00 O ATOM 479 CB GLU A 53 13.631 16.378 -3.069 1.00 0.00 C ATOM 480 CG GLU A 53 14.229 17.697 -2.600 1.00 0.00 C ATOM 481 CD GLU A 53 13.211 18.590 -1.922 1.00 0.00 C ATOM 482 OE1 GLU A 53 12.989 18.427 -0.701 1.00 0.00 O ATOM 483 OE2 GLU A 53 12.626 19.458 -2.599 1.00 0.00 O ATOM 0 H GLU A 53 13.062 14.059 -3.778 1.00 0.00 H new ATOM 0 HA GLU A 53 15.086 15.923 -4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.836 16.585 -3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 53 13.171 15.876 -2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 53 15.047 17.495 -1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.656 18.222 -3.454 1.00 0.00 H new ATOM 490 N HIS A 54 15.569 14.108 -1.894 1.00 0.00 N ATOM 491 CA HIS A 54 16.568 13.746 -0.887 1.00 0.00 C ATOM 492 C HIS A 54 17.236 12.419 -1.249 1.00 0.00 C ATOM 493 O HIS A 54 18.251 12.035 -0.669 1.00 0.00 O ATOM 494 CB HIS A 54 15.922 13.663 0.503 1.00 0.00 C ATOM 495 CG HIS A 54 16.906 13.486 1.621 1.00 0.00 C ATOM 496 ND1 HIS A 54 17.005 12.328 2.364 1.00 0.00 N ATOM 497 CD2 HIS A 54 17.833 14.333 2.127 1.00 0.00 C ATOM 498 CE1 HIS A 54 17.950 12.472 3.276 1.00 0.00 C ATOM 499 NE2 HIS A 54 18.465 13.680 3.153 1.00 0.00 N ATOM 0 H HIS A 54 14.728 13.530 -1.888 1.00 0.00 H new ATOM 0 HA HIS A 54 17.334 14.521 -0.865 1.00 0.00 H new ATOM 0 HB2 HIS A 54 15.346 14.571 0.680 1.00 0.00 H new ATOM 0 HB3 HIS A 54 15.218 12.831 0.517 1.00 0.00 H new ATOM 0 HD2 HIS A 54 18.037 15.337 1.785 1.00 0.00 H new ATOM 0 HE1 HIS A 54 18.250 11.728 3.999 1.00 0.00 H new ATOM 0 HE2 HIS A 54 19.213 14.066 3.729 1.00 0.00 H new ATOM 508 N GLY A 55 16.645 11.726 -2.206 1.00 0.00 N ATOM 509 CA GLY A 55 17.113 10.425 -2.647 1.00 0.00 C ATOM 510 C GLY A 55 16.699 9.318 -1.696 1.00 0.00 C ATOM 511 O GLY A 55 16.671 8.149 -2.073 1.00 0.00 O ATOM 0 H GLY A 55 15.818 12.055 -2.704 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.717 10.216 -3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.199 10.441 -2.733 1.00 0.00 H new ATOM 515 N GLY A 56 16.371 9.692 -0.465 1.00 0.00 N ATOM 516 CA GLY A 56 15.619 8.802 0.397 1.00 0.00 C ATOM 517 C GLY A 56 14.272 9.376 0.794 1.00 0.00 C ATOM 518 O GLY A 56 14.099 10.597 0.841 1.00 0.00 O ATOM 0 H GLY A 56 16.612 10.592 -0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 56 15.469 7.850 -0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.201 8.595 1.295 1.00 0.00 H new ATOM 522 N LEU A 57 13.336 8.487 1.108 1.00 0.00 N ATOM 523 CA LEU A 57 11.970 8.858 1.483 1.00 0.00 C ATOM 524 C LEU A 57 11.913 9.483 2.872 1.00 0.00 C ATOM 525 O LEU A 57 10.843 9.857 3.345 1.00 0.00 O ATOM 526 CB LEU A 57 11.060 7.631 1.437 1.00 0.00 C ATOM 527 CG LEU A 57 10.756 7.104 0.034 1.00 0.00 C ATOM 528 CD1 LEU A 57 10.703 5.588 0.037 1.00 0.00 C ATOM 529 CD2 LEU A 57 9.438 7.671 -0.469 1.00 0.00 C ATOM 0 H LEU A 57 13.502 7.481 1.110 1.00 0.00 H new ATOM 0 HA LEU A 57 11.625 9.601 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.523 6.832 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.119 7.877 1.928 1.00 0.00 H new ATOM 0 HG LEU A 57 11.555 7.424 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.486 5.230 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.664 5.191 0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.921 5.253 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.235 7.287 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.634 7.374 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.499 8.759 -0.504 1.00 0.00 H new ATOM 541 N ASP A 58 13.058 9.545 3.534 1.00 0.00 N ATOM 542 CA ASP A 58 13.164 10.110 4.878 1.00 0.00 C ATOM 543 C ASP A 58 12.481 11.475 4.975 1.00 0.00 C ATOM 544 O ASP A 58 11.825 11.779 5.970 1.00 0.00 O ATOM 545 CB ASP A 58 14.636 10.251 5.276 1.00 0.00 C ATOM 546 CG ASP A 58 15.377 8.933 5.249 1.00 0.00 C ATOM 547 OD1 ASP A 58 15.754 8.483 4.148 1.00 0.00 O ATOM 548 OD2 ASP A 58 15.592 8.338 6.327 1.00 0.00 O ATOM 0 H ASP A 58 13.943 9.206 3.158 1.00 0.00 H new ATOM 0 HA ASP A 58 12.658 9.426 5.560 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.125 10.952 4.600 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.698 10.678 6.277 1.00 0.00 H new ATOM 553 N THR A 59 12.634 12.283 3.936 1.00 0.00 N ATOM 554 CA THR A 59 12.066 13.629 3.910 1.00 0.00 C ATOM 555 C THR A 59 10.557 13.598 3.635 1.00 0.00 C ATOM 556 O THR A 59 9.876 14.620 3.705 1.00 0.00 O ATOM 557 CB THR A 59 12.778 14.504 2.844 1.00 0.00 C ATOM 558 OG1 THR A 59 12.369 15.875 2.948 1.00 0.00 O ATOM 559 CG2 THR A 59 12.492 13.997 1.438 1.00 0.00 C ATOM 0 H THR A 59 13.150 12.030 3.093 1.00 0.00 H new ATOM 0 HA THR A 59 12.224 14.068 4.895 1.00 0.00 H new ATOM 0 HB THR A 59 13.849 14.436 3.033 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.417 15.916 3.178 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.004 14.629 0.712 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.849 12.972 1.341 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.418 14.027 1.252 1.00 0.00 H new ATOM 567 N CYS A 60 10.029 12.417 3.358 1.00 0.00 N ATOM 568 CA CYS A 60 8.629 12.277 3.000 1.00 0.00 C ATOM 569 C CYS A 60 7.806 11.870 4.214 1.00 0.00 C ATOM 570 O CYS A 60 7.177 10.812 4.233 1.00 0.00 O ATOM 571 CB CYS A 60 8.480 11.249 1.882 1.00 0.00 C ATOM 572 SG CYS A 60 9.499 11.614 0.422 1.00 0.00 S ATOM 0 H CYS A 60 10.551 11.541 3.375 1.00 0.00 H new ATOM 0 HA CYS A 60 8.258 13.239 2.645 1.00 0.00 H new ATOM 0 HB2 CYS A 60 8.748 10.265 2.266 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.433 11.199 1.582 1.00 0.00 H new ATOM 577 N ASP A 61 7.826 12.711 5.233 1.00 0.00 N ATOM 578 CA ASP A 61 7.103 12.426 6.461 1.00 0.00 C ATOM 579 C ASP A 61 5.910 13.359 6.599 1.00 0.00 C ATOM 580 O ASP A 61 6.029 14.566 6.386 1.00 0.00 O ATOM 581 CB ASP A 61 8.030 12.580 7.664 1.00 0.00 C ATOM 582 CG ASP A 61 7.488 11.888 8.894 1.00 0.00 C ATOM 583 OD1 ASP A 61 7.003 12.581 9.813 1.00 0.00 O ATOM 584 OD2 ASP A 61 7.545 10.645 8.947 1.00 0.00 O ATOM 0 H ASP A 61 8.334 13.596 5.235 1.00 0.00 H new ATOM 0 HA ASP A 61 6.741 11.398 6.423 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.010 12.170 7.420 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.172 13.639 7.878 1.00 0.00 H new ATOM 589 N GLY A 62 4.760 12.795 6.950 1.00 0.00 N ATOM 590 CA GLY A 62 3.554 13.585 7.070 1.00 0.00 C ATOM 591 C GLY A 62 3.590 14.490 8.278 1.00 0.00 C ATOM 592 O GLY A 62 3.489 14.024 9.414 1.00 0.00 O ATOM 0 H GLY A 62 4.644 11.802 7.154 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.423 14.186 6.170 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.691 12.922 7.139 1.00 0.00 H new ATOM 596 N GLY A 63 3.734 15.780 8.039 1.00 0.00 N ATOM 597 CA GLY A 63 3.825 16.728 9.125 1.00 0.00 C ATOM 598 C GLY A 63 5.187 17.385 9.202 1.00 0.00 C ATOM 599 O GLY A 63 5.447 18.179 10.105 1.00 0.00 O ATOM 0 H GLY A 63 3.790 16.190 7.107 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.061 17.495 9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.615 16.220 10.066 1.00 0.00 H new ATOM 603 N SER A 64 6.063 17.054 8.261 1.00 0.00 N ATOM 604 CA SER A 64 7.397 17.631 8.228 1.00 0.00 C ATOM 605 C SER A 64 7.854 17.867 6.789 1.00 0.00 C ATOM 606 O SER A 64 7.277 17.318 5.850 1.00 0.00 O ATOM 607 CB SER A 64 8.387 16.706 8.941 1.00 0.00 C ATOM 608 OG SER A 64 7.977 16.442 10.272 1.00 0.00 O ATOM 0 H SER A 64 5.872 16.389 7.512 1.00 0.00 H new ATOM 0 HA SER A 64 7.365 18.592 8.742 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.473 15.768 8.392 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.376 17.164 8.947 1.00 0.00 H new ATOM 0 HG SER A 64 8.627 15.848 10.703 1.00 0.00 H new ATOM 614 N ASN A 65 8.880 18.701 6.637 1.00 0.00 N ATOM 615 CA ASN A 65 9.528 18.942 5.339 1.00 0.00 C ATOM 616 C ASN A 65 8.563 19.557 4.333 1.00 0.00 C ATOM 617 O ASN A 65 8.635 19.279 3.133 1.00 0.00 O ATOM 618 CB ASN A 65 10.100 17.642 4.758 1.00 0.00 C ATOM 619 CG ASN A 65 11.163 17.009 5.639 1.00 0.00 C ATOM 620 OD1 ASN A 65 12.345 17.329 5.527 1.00 0.00 O ATOM 621 ND2 ASN A 65 10.757 16.085 6.500 1.00 0.00 N ATOM 0 H ASN A 65 9.289 19.231 7.406 1.00 0.00 H new ATOM 0 HA ASN A 65 10.340 19.646 5.520 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.288 16.930 4.611 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.526 17.847 3.776 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.435 15.613 7.098 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.767 15.847 6.564 1.00 0.00 H new ATOM 628 N GLY A 66 7.654 20.391 4.824 1.00 0.00 N ATOM 629 CA GLY A 66 6.707 21.050 3.950 1.00 0.00 C ATOM 630 C GLY A 66 5.510 20.179 3.624 1.00 0.00 C ATOM 631 O GLY A 66 4.583 20.614 2.938 1.00 0.00 O ATOM 0 H GLY A 66 7.557 20.622 5.813 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.364 21.971 4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.209 21.333 3.025 1.00 0.00 H new ATOM 635 N ILE A 67 5.531 18.946 4.111 1.00 0.00 N ATOM 636 CA ILE A 67 4.438 18.023 3.896 1.00 0.00 C ATOM 637 C ILE A 67 3.455 18.121 5.056 1.00 0.00 C ATOM 638 O ILE A 67 3.845 17.964 6.215 1.00 0.00 O ATOM 639 CB ILE A 67 4.946 16.572 3.761 1.00 0.00 C ATOM 640 CG1 ILE A 67 5.954 16.474 2.613 1.00 0.00 C ATOM 641 CG2 ILE A 67 3.783 15.613 3.532 1.00 0.00 C ATOM 642 CD1 ILE A 67 6.486 15.077 2.389 1.00 0.00 C ATOM 0 H ILE A 67 6.301 18.565 4.661 1.00 0.00 H new ATOM 0 HA ILE A 67 3.940 18.292 2.964 1.00 0.00 H new ATOM 0 HB ILE A 67 5.441 16.289 4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.482 16.825 1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.790 17.143 2.817 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.163 14.596 3.440 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.095 15.668 4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.259 15.889 2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.194 15.086 1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.988 14.730 3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.660 14.407 2.153 1.00 0.00 H new ATOM 654 N PRO A 68 2.177 18.407 4.771 1.00 0.00 N ATOM 655 CA PRO A 68 1.153 18.572 5.805 1.00 0.00 C ATOM 656 C PRO A 68 0.886 17.279 6.566 1.00 0.00 C ATOM 657 O PRO A 68 1.009 16.182 6.016 1.00 0.00 O ATOM 658 CB PRO A 68 -0.104 18.986 5.029 1.00 0.00 C ATOM 659 CG PRO A 68 0.375 19.390 3.676 1.00 0.00 C ATOM 660 CD PRO A 68 1.618 18.586 3.420 1.00 0.00 C ATOM 0 HA PRO A 68 1.464 19.300 6.555 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.814 18.161 4.963 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.617 19.810 5.525 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.382 19.190 2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.587 20.459 3.640 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.391 17.631 2.947 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.311 19.111 2.762 1.00 0.00 H new ATOM 668 N SER A 69 0.561 17.428 7.846 1.00 0.00 N ATOM 669 CA SER A 69 0.129 16.318 8.683 1.00 0.00 C ATOM 670 C SER A 69 -0.956 15.509 7.973 1.00 0.00 C ATOM 671 O SER A 69 -1.868 16.083 7.372 1.00 0.00 O ATOM 672 CB SER A 69 -0.395 16.868 10.008 1.00 0.00 C ATOM 673 OG SER A 69 0.566 17.721 10.614 1.00 0.00 O ATOM 0 H SER A 69 0.590 18.324 8.332 1.00 0.00 H new ATOM 0 HA SER A 69 0.973 15.656 8.875 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.321 17.418 9.838 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.632 16.044 10.681 1.00 0.00 H new ATOM 0 HG SER A 69 0.211 18.064 11.460 1.00 0.00 H new ATOM 679 N PRO A 70 -0.855 14.168 8.036 1.00 0.00 N ATOM 680 CA PRO A 70 -1.713 13.255 7.276 1.00 0.00 C ATOM 681 C PRO A 70 -3.194 13.569 7.425 1.00 0.00 C ATOM 682 O PRO A 70 -3.724 13.637 8.535 1.00 0.00 O ATOM 683 CB PRO A 70 -1.402 11.870 7.857 1.00 0.00 C ATOM 684 CG PRO A 70 -0.593 12.119 9.086 1.00 0.00 C ATOM 685 CD PRO A 70 0.101 13.431 8.868 1.00 0.00 C ATOM 0 HA PRO A 70 -1.514 13.334 6.207 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.319 11.330 8.095 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.850 11.261 7.142 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.229 12.157 9.970 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.129 11.318 9.246 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.300 13.945 9.808 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.060 13.303 8.366 1.00 0.00 H new ATOM 693 N THR A 71 -3.851 13.750 6.296 1.00 0.00 N ATOM 694 CA THR A 71 -5.256 14.098 6.274 1.00 0.00 C ATOM 695 C THR A 71 -6.045 13.003 5.565 1.00 0.00 C ATOM 696 O THR A 71 -5.480 11.992 5.150 1.00 0.00 O ATOM 697 CB THR A 71 -5.474 15.461 5.571 1.00 0.00 C ATOM 698 OG1 THR A 71 -6.845 15.870 5.671 1.00 0.00 O ATOM 699 CG2 THR A 71 -5.065 15.392 4.106 1.00 0.00 C ATOM 0 H THR A 71 -3.427 13.660 5.373 1.00 0.00 H new ATOM 0 HA THR A 71 -5.611 14.187 7.301 1.00 0.00 H new ATOM 0 HB THR A 71 -4.846 16.196 6.075 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.301 15.696 4.821 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.228 16.362 3.637 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.010 15.128 4.035 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.663 14.637 3.596 1.00 0.00 H new ATOM 707 N THR A 72 -7.341 13.208 5.427 1.00 0.00 N ATOM 708 CA THR A 72 -8.209 12.228 4.812 1.00 0.00 C ATOM 709 C THR A 72 -9.171 12.899 3.846 1.00 0.00 C ATOM 710 O THR A 72 -9.637 14.014 4.090 1.00 0.00 O ATOM 711 CB THR A 72 -9.015 11.452 5.872 1.00 0.00 C ATOM 712 OG1 THR A 72 -9.598 12.366 6.811 1.00 0.00 O ATOM 713 CG2 THR A 72 -8.134 10.456 6.608 1.00 0.00 C ATOM 0 H THR A 72 -7.818 14.055 5.737 1.00 0.00 H new ATOM 0 HA THR A 72 -7.576 11.527 4.268 1.00 0.00 H new ATOM 0 HB THR A 72 -9.804 10.902 5.360 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.110 11.865 7.480 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.729 9.923 7.350 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.718 9.743 5.896 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.323 10.987 7.107 1.00 0.00 H new ATOM 721 N THR A 73 -9.452 12.223 2.747 1.00 0.00 N ATOM 722 CA THR A 73 -10.442 12.687 1.799 1.00 0.00 C ATOM 723 C THR A 73 -11.813 12.209 2.263 1.00 0.00 C ATOM 724 O THR A 73 -11.901 11.493 3.265 1.00 0.00 O ATOM 725 CB THR A 73 -10.158 12.178 0.369 1.00 0.00 C ATOM 726 OG1 THR A 73 -10.394 10.770 0.289 1.00 0.00 O ATOM 727 CG2 THR A 73 -8.723 12.476 -0.040 1.00 0.00 C ATOM 0 H THR A 73 -9.003 11.344 2.490 1.00 0.00 H new ATOM 0 HA THR A 73 -10.407 13.776 1.761 1.00 0.00 H new ATOM 0 HB THR A 73 -10.831 12.698 -0.312 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.212 10.459 -0.622 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.549 12.107 -1.051 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.553 13.552 -0.012 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.038 11.982 0.649 1.00 0.00 H new ATOM 735 N ARG A 74 -12.870 12.585 1.558 1.00 0.00 N ATOM 736 CA ARG A 74 -14.225 12.252 1.985 1.00 0.00 C ATOM 737 C ARG A 74 -14.401 10.743 2.197 1.00 0.00 C ATOM 738 O ARG A 74 -15.041 10.324 3.161 1.00 0.00 O ATOM 739 CB ARG A 74 -15.253 12.765 0.971 1.00 0.00 C ATOM 740 CG ARG A 74 -16.688 12.407 1.336 1.00 0.00 C ATOM 741 CD ARG A 74 -17.700 13.022 0.379 1.00 0.00 C ATOM 742 NE ARG A 74 -19.073 12.675 0.752 1.00 0.00 N ATOM 743 CZ ARG A 74 -20.162 13.159 0.155 1.00 0.00 C ATOM 744 NH1 ARG A 74 -20.052 14.028 -0.841 1.00 0.00 N ATOM 745 NH2 ARG A 74 -21.368 12.776 0.564 1.00 0.00 N ATOM 0 H ARG A 74 -12.818 13.119 0.691 1.00 0.00 H new ATOM 0 HA ARG A 74 -14.393 12.746 2.942 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.165 13.848 0.891 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -15.021 12.353 -0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -16.801 11.323 1.333 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -16.898 12.747 2.350 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -17.586 14.106 0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -17.499 12.677 -0.635 1.00 0.00 H new ATOM 0 HE ARG A 74 -19.205 12.018 1.521 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -19.130 14.330 -1.155 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -20.890 14.394 -1.293 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -21.459 12.113 1.334 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -22.202 13.146 0.108 1.00 0.00 H new ATOM 759 N TYR A 75 -13.827 9.924 1.325 1.00 0.00 N ATOM 760 CA TYR A 75 -13.995 8.478 1.435 1.00 0.00 C ATOM 761 C TYR A 75 -12.884 7.819 2.254 1.00 0.00 C ATOM 762 O TYR A 75 -13.011 6.660 2.646 1.00 0.00 O ATOM 763 CB TYR A 75 -14.046 7.844 0.047 1.00 0.00 C ATOM 764 CG TYR A 75 -15.103 8.441 -0.856 1.00 0.00 C ATOM 765 CD1 TYR A 75 -14.770 8.943 -2.107 1.00 0.00 C ATOM 766 CD2 TYR A 75 -16.432 8.507 -0.456 1.00 0.00 C ATOM 767 CE1 TYR A 75 -15.728 9.491 -2.933 1.00 0.00 C ATOM 768 CE2 TYR A 75 -17.398 9.053 -1.278 1.00 0.00 C ATOM 769 CZ TYR A 75 -17.040 9.544 -2.516 1.00 0.00 C ATOM 770 OH TYR A 75 -17.996 10.092 -3.339 1.00 0.00 O ATOM 0 H TYR A 75 -13.248 10.229 0.543 1.00 0.00 H new ATOM 0 HA TYR A 75 -14.936 8.310 1.958 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -13.071 7.953 -0.428 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -14.232 6.775 0.152 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -13.743 8.903 -2.439 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -16.714 8.125 0.514 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -15.451 9.877 -3.903 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -18.427 9.095 -0.953 1.00 0.00 H new ATOM 0 HH TYR A 75 -18.870 10.052 -2.897 1.00 0.00 H new ATOM 780 N VAL A 76 -11.803 8.541 2.528 1.00 0.00 N ATOM 781 CA VAL A 76 -10.678 7.955 3.253 1.00 0.00 C ATOM 782 C VAL A 76 -10.935 7.980 4.753 1.00 0.00 C ATOM 783 O VAL A 76 -11.257 9.020 5.332 1.00 0.00 O ATOM 784 CB VAL A 76 -9.344 8.667 2.940 1.00 0.00 C ATOM 785 CG1 VAL A 76 -8.228 8.158 3.846 1.00 0.00 C ATOM 786 CG2 VAL A 76 -8.967 8.457 1.485 1.00 0.00 C ATOM 0 H VAL A 76 -11.681 9.519 2.264 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.590 6.922 2.916 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.477 9.733 3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.299 8.675 3.605 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.490 8.348 4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.096 7.087 3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.025 8.964 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.857 7.391 1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.748 8.866 0.844 1.00 0.00 H new ATOM 796 N SER A 77 -10.789 6.816 5.372 1.00 0.00 N ATOM 797 CA SER A 77 -11.088 6.655 6.783 1.00 0.00 C ATOM 798 C SER A 77 -9.925 7.139 7.640 1.00 0.00 C ATOM 799 O SER A 77 -10.125 7.883 8.603 1.00 0.00 O ATOM 800 CB SER A 77 -11.407 5.185 7.095 1.00 0.00 C ATOM 801 OG SER A 77 -11.776 5.014 8.453 1.00 0.00 O ATOM 0 H SER A 77 -10.463 5.966 4.913 1.00 0.00 H new ATOM 0 HA SER A 77 -11.962 7.261 7.020 1.00 0.00 H new ATOM 0 HB2 SER A 77 -12.216 4.842 6.450 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.537 4.567 6.872 1.00 0.00 H new ATOM 0 HG SER A 77 -11.975 4.069 8.622 1.00 0.00 H new ATOM 807 N ALA A 78 -8.714 6.729 7.278 1.00 0.00 N ATOM 808 CA ALA A 78 -7.527 7.070 8.046 1.00 0.00 C ATOM 809 C ALA A 78 -6.276 6.644 7.302 1.00 0.00 C ATOM 810 O ALA A 78 -6.258 5.592 6.661 1.00 0.00 O ATOM 811 CB ALA A 78 -7.565 6.407 9.413 1.00 0.00 C ATOM 0 H ALA A 78 -8.531 6.158 6.453 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.508 8.151 8.181 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.668 6.674 9.972 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.447 6.746 9.957 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.607 5.325 9.291 1.00 0.00 H new ATOM 817 N MET A 79 -5.238 7.461 7.397 1.00 0.00 N ATOM 818 CA MET A 79 -3.968 7.173 6.753 1.00 0.00 C ATOM 819 C MET A 79 -2.856 7.995 7.394 1.00 0.00 C ATOM 820 O MET A 79 -3.049 9.163 7.728 1.00 0.00 O ATOM 821 CB MET A 79 -4.036 7.448 5.244 1.00 0.00 C ATOM 822 CG MET A 79 -4.468 8.863 4.878 1.00 0.00 C ATOM 823 SD MET A 79 -4.474 9.151 3.095 1.00 0.00 S ATOM 824 CE MET A 79 -2.749 8.881 2.692 1.00 0.00 C ATOM 0 H MET A 79 -5.253 8.337 7.920 1.00 0.00 H new ATOM 0 HA MET A 79 -3.750 6.114 6.890 1.00 0.00 H new ATOM 0 HB2 MET A 79 -3.055 7.257 4.808 1.00 0.00 H new ATOM 0 HB3 MET A 79 -4.730 6.741 4.790 1.00 0.00 H new ATOM 0 HG2 MET A 79 -5.466 9.048 5.275 1.00 0.00 H new ATOM 0 HG3 MET A 79 -3.798 9.578 5.355 1.00 0.00 H new ATOM 0 HE1 MET A 79 -2.512 9.383 1.754 1.00 0.00 H new ATOM 0 HE2 MET A 79 -2.122 9.284 3.488 1.00 0.00 H new ATOM 0 HE3 MET A 79 -2.562 7.812 2.589 1.00 0.00 H new ATOM 834 N SER A 80 -1.700 7.379 7.563 1.00 0.00 N ATOM 835 CA SER A 80 -0.558 8.031 8.184 1.00 0.00 C ATOM 836 C SER A 80 0.639 7.961 7.245 1.00 0.00 C ATOM 837 O SER A 80 0.741 7.037 6.445 1.00 0.00 O ATOM 838 CB SER A 80 -0.219 7.342 9.513 1.00 0.00 C ATOM 839 OG SER A 80 -1.375 7.162 10.313 1.00 0.00 O ATOM 0 H SER A 80 -1.525 6.416 7.275 1.00 0.00 H new ATOM 0 HA SER A 80 -0.803 9.075 8.381 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.243 6.375 9.315 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.513 7.939 10.058 1.00 0.00 H new ATOM 0 HG SER A 80 -1.127 6.719 11.151 1.00 0.00 H new ATOM 845 N VAL A 81 1.532 8.936 7.336 1.00 0.00 N ATOM 846 CA VAL A 81 2.703 8.980 6.474 1.00 0.00 C ATOM 847 C VAL A 81 3.964 9.086 7.317 1.00 0.00 C ATOM 848 O VAL A 81 4.135 10.053 8.061 1.00 0.00 O ATOM 849 CB VAL A 81 2.650 10.182 5.500 1.00 0.00 C ATOM 850 CG1 VAL A 81 3.799 10.127 4.502 1.00 0.00 C ATOM 851 CG2 VAL A 81 1.312 10.243 4.782 1.00 0.00 C ATOM 0 H VAL A 81 1.467 9.708 7.999 1.00 0.00 H new ATOM 0 HA VAL A 81 2.714 8.060 5.890 1.00 0.00 H new ATOM 0 HB VAL A 81 2.758 11.093 6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.738 10.983 3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.748 10.153 5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.734 9.206 3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.301 11.096 4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.162 9.326 4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.511 10.351 5.513 1.00 0.00 H new ATOM 861 N ALA A 82 4.844 8.104 7.201 1.00 0.00 N ATOM 862 CA ALA A 82 6.081 8.101 7.958 1.00 0.00 C ATOM 863 C ALA A 82 7.228 7.624 7.078 1.00 0.00 C ATOM 864 O ALA A 82 7.311 6.452 6.722 1.00 0.00 O ATOM 865 CB ALA A 82 5.951 7.214 9.186 1.00 0.00 C ATOM 0 H ALA A 82 4.722 7.298 6.588 1.00 0.00 H new ATOM 0 HA ALA A 82 6.291 9.118 8.290 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.888 7.223 9.742 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.148 7.588 9.821 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.723 6.194 8.876 1.00 0.00 H new ATOM 871 N LYS A 83 8.100 8.562 6.745 1.00 0.00 N ATOM 872 CA LYS A 83 9.265 8.297 5.895 1.00 0.00 C ATOM 873 C LYS A 83 8.832 7.596 4.597 1.00 0.00 C ATOM 874 O LYS A 83 9.459 6.631 4.156 1.00 0.00 O ATOM 875 CB LYS A 83 10.282 7.424 6.644 1.00 0.00 C ATOM 876 CG LYS A 83 10.619 7.925 8.043 1.00 0.00 C ATOM 877 CD LYS A 83 11.370 9.245 8.012 1.00 0.00 C ATOM 878 CE LYS A 83 11.644 9.754 9.418 1.00 0.00 C ATOM 879 NZ LYS A 83 12.459 10.999 9.410 1.00 0.00 N ATOM 0 H LYS A 83 8.026 9.531 7.053 1.00 0.00 H new ATOM 0 HA LYS A 83 9.732 9.249 5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.890 6.410 6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.200 7.370 6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.699 8.045 8.616 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.221 7.178 8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.312 9.118 7.478 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.789 9.985 7.461 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.698 9.943 9.926 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.164 8.984 9.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.623 11.313 10.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.372 10.813 8.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.952 11.742 8.888 1.00 0.00 H new ATOM 893 N GLY A 84 7.748 8.087 4.004 1.00 0.00 N ATOM 894 CA GLY A 84 7.193 7.491 2.797 1.00 0.00 C ATOM 895 C GLY A 84 6.260 6.319 3.071 1.00 0.00 C ATOM 896 O GLY A 84 5.394 6.007 2.254 1.00 0.00 O ATOM 0 H GLY A 84 7.235 8.901 4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.650 8.255 2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.010 7.153 2.160 1.00 0.00 H new ATOM 900 N VAL A 85 6.432 5.679 4.218 1.00 0.00 N ATOM 901 CA VAL A 85 5.587 4.554 4.611 1.00 0.00 C ATOM 902 C VAL A 85 4.208 5.055 5.010 1.00 0.00 C ATOM 903 O VAL A 85 4.094 6.027 5.753 1.00 0.00 O ATOM 904 CB VAL A 85 6.209 3.767 5.784 1.00 0.00 C ATOM 905 CG1 VAL A 85 5.393 2.522 6.098 1.00 0.00 C ATOM 906 CG2 VAL A 85 7.654 3.401 5.477 1.00 0.00 C ATOM 0 H VAL A 85 7.153 5.919 4.899 1.00 0.00 H new ATOM 0 HA VAL A 85 5.502 3.884 3.755 1.00 0.00 H new ATOM 0 HB VAL A 85 6.197 4.408 6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.853 1.986 6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.378 2.811 6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.363 1.876 5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.075 2.847 6.316 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.690 2.784 4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.233 4.310 5.316 1.00 0.00 H new ATOM 916 N VAL A 86 3.156 4.402 4.537 1.00 0.00 N ATOM 917 CA VAL A 86 1.810 4.892 4.775 1.00 0.00 C ATOM 918 C VAL A 86 0.889 3.768 5.250 1.00 0.00 C ATOM 919 O VAL A 86 0.727 2.742 4.584 1.00 0.00 O ATOM 920 CB VAL A 86 1.204 5.580 3.526 1.00 0.00 C ATOM 921 CG1 VAL A 86 1.988 6.830 3.168 1.00 0.00 C ATOM 922 CG2 VAL A 86 1.157 4.634 2.341 1.00 0.00 C ATOM 0 H VAL A 86 3.209 3.541 3.992 1.00 0.00 H new ATOM 0 HA VAL A 86 1.889 5.642 5.562 1.00 0.00 H new ATOM 0 HB VAL A 86 0.181 5.865 3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.546 7.297 2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.959 7.529 4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.023 6.562 2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.727 5.148 1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.167 4.305 2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.543 3.768 2.591 1.00 0.00 H new ATOM 932 N SER A 87 0.327 3.956 6.430 1.00 0.00 N ATOM 933 CA SER A 87 -0.635 3.012 6.980 1.00 0.00 C ATOM 934 C SER A 87 -2.053 3.558 6.868 1.00 0.00 C ATOM 935 O SER A 87 -2.340 4.665 7.321 1.00 0.00 O ATOM 936 CB SER A 87 -0.303 2.716 8.445 1.00 0.00 C ATOM 937 OG SER A 87 1.031 2.255 8.585 1.00 0.00 O ATOM 0 H SER A 87 0.520 4.758 7.030 1.00 0.00 H new ATOM 0 HA SER A 87 -0.575 2.088 6.406 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.444 3.617 9.042 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.992 1.966 8.833 1.00 0.00 H new ATOM 0 HG SER A 87 1.217 2.075 9.530 1.00 0.00 H new ATOM 943 N LEU A 88 -2.928 2.778 6.250 1.00 0.00 N ATOM 944 CA LEU A 88 -4.319 3.166 6.066 1.00 0.00 C ATOM 945 C LEU A 88 -5.210 2.251 6.889 1.00 0.00 C ATOM 946 O LEU A 88 -4.990 1.041 6.927 1.00 0.00 O ATOM 947 CB LEU A 88 -4.726 3.096 4.590 1.00 0.00 C ATOM 948 CG LEU A 88 -3.919 3.982 3.629 1.00 0.00 C ATOM 949 CD1 LEU A 88 -2.620 3.304 3.213 1.00 0.00 C ATOM 950 CD2 LEU A 88 -4.750 4.337 2.408 1.00 0.00 C ATOM 0 H LEU A 88 -2.696 1.863 5.864 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.436 4.197 6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.640 2.061 4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.778 3.370 4.510 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.663 4.901 4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.071 3.955 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.013 3.108 4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.845 2.363 2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.163 4.965 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.041 3.424 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.644 4.877 2.721 1.00 0.00 H new ATOM 962 N THR A 89 -6.211 2.815 7.543 1.00 0.00 N ATOM 963 CA THR A 89 -7.026 2.041 8.463 1.00 0.00 C ATOM 964 C THR A 89 -8.497 2.017 8.050 1.00 0.00 C ATOM 965 O THR A 89 -9.083 3.057 7.738 1.00 0.00 O ATOM 966 CB THR A 89 -6.900 2.599 9.893 1.00 0.00 C ATOM 967 OG1 THR A 89 -5.514 2.811 10.201 1.00 0.00 O ATOM 968 CG2 THR A 89 -7.504 1.641 10.908 1.00 0.00 C ATOM 0 H THR A 89 -6.477 3.796 7.456 1.00 0.00 H new ATOM 0 HA THR A 89 -6.654 1.017 8.434 1.00 0.00 H new ATOM 0 HB THR A 89 -7.443 3.542 9.945 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.432 3.168 11.110 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.401 2.060 11.909 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.560 1.491 10.684 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.984 0.684 10.860 1.00 0.00 H new ATOM 976 N GLY A 90 -9.065 0.810 8.061 1.00 0.00 N ATOM 977 CA GLY A 90 -10.481 0.608 7.778 1.00 0.00 C ATOM 978 C GLY A 90 -10.969 1.318 6.532 1.00 0.00 C ATOM 979 O GLY A 90 -12.025 1.948 6.550 1.00 0.00 O ATOM 0 H GLY A 90 -8.556 -0.050 8.266 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.671 -0.460 7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.064 0.953 8.632 1.00 0.00 H new ATOM 983 N GLN A 91 -10.221 1.205 5.451 1.00 0.00 N ATOM 984 CA GLN A 91 -10.537 1.952 4.245 1.00 0.00 C ATOM 985 C GLN A 91 -11.605 1.236 3.422 1.00 0.00 C ATOM 986 O GLN A 91 -11.435 0.081 3.042 1.00 0.00 O ATOM 987 CB GLN A 91 -9.259 2.140 3.422 1.00 0.00 C ATOM 988 CG GLN A 91 -9.419 3.026 2.199 1.00 0.00 C ATOM 989 CD GLN A 91 -9.931 4.406 2.552 1.00 0.00 C ATOM 990 OE1 GLN A 91 -9.160 5.296 2.891 1.00 0.00 O ATOM 991 NE2 GLN A 91 -11.235 4.595 2.458 1.00 0.00 N ATOM 0 H GLN A 91 -9.396 0.609 5.381 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.936 2.927 4.525 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -8.488 2.566 4.064 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -8.902 1.161 3.101 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -8.459 3.116 1.690 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -10.108 2.554 1.499 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -11.842 3.827 2.172 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -11.635 5.509 2.671 1.00 0.00 H new ATOM 1000 N GLU A 92 -12.692 1.951 3.130 1.00 0.00 N ATOM 1001 CA GLU A 92 -13.782 1.433 2.301 1.00 0.00 C ATOM 1002 C GLU A 92 -14.335 0.114 2.845 1.00 0.00 C ATOM 1003 O GLU A 92 -14.771 0.042 3.995 1.00 0.00 O ATOM 1004 CB GLU A 92 -13.318 1.274 0.851 1.00 0.00 C ATOM 1005 CG GLU A 92 -13.032 2.596 0.161 1.00 0.00 C ATOM 1006 CD GLU A 92 -14.269 3.463 0.024 1.00 0.00 C ATOM 1007 OE1 GLU A 92 -14.738 3.652 -1.118 1.00 0.00 O ATOM 1008 OE2 GLU A 92 -14.791 3.949 1.053 1.00 0.00 O ATOM 0 H GLU A 92 -12.842 2.904 3.461 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.595 2.158 2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.418 0.660 0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.083 0.737 0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.273 3.139 0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.617 2.403 -0.828 1.00 0.00 H new ATOM 1015 N SER A 93 -14.320 -0.921 2.012 1.00 0.00 N ATOM 1016 CA SER A 93 -14.802 -2.240 2.401 1.00 0.00 C ATOM 1017 C SER A 93 -13.831 -2.909 3.368 1.00 0.00 C ATOM 1018 O SER A 93 -14.179 -3.876 4.041 1.00 0.00 O ATOM 1019 CB SER A 93 -14.979 -3.112 1.155 1.00 0.00 C ATOM 1020 OG SER A 93 -15.580 -4.358 1.466 1.00 0.00 O ATOM 0 H SER A 93 -13.975 -0.869 1.053 1.00 0.00 H new ATOM 0 HA SER A 93 -15.762 -2.124 2.904 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.593 -2.584 0.426 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.008 -3.283 0.690 1.00 0.00 H new ATOM 0 HG SER A 93 -14.883 -5.014 1.675 1.00 0.00 H new ATOM 1026 N LEU A 94 -12.627 -2.363 3.457 1.00 0.00 N ATOM 1027 CA LEU A 94 -11.558 -2.961 4.244 1.00 0.00 C ATOM 1028 C LEU A 94 -11.639 -2.482 5.687 1.00 0.00 C ATOM 1029 O LEU A 94 -10.627 -2.208 6.327 1.00 0.00 O ATOM 1030 CB LEU A 94 -10.195 -2.608 3.642 1.00 0.00 C ATOM 1031 CG LEU A 94 -10.041 -2.900 2.147 1.00 0.00 C ATOM 1032 CD1 LEU A 94 -8.673 -2.454 1.658 1.00 0.00 C ATOM 1033 CD2 LEU A 94 -10.262 -4.378 1.854 1.00 0.00 C ATOM 0 H LEU A 94 -12.364 -1.496 2.988 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.674 -4.045 4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.007 -1.547 3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.425 -3.157 4.183 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.802 -2.334 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.579 -2.669 0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.559 -1.383 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.898 -2.990 2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.147 -4.558 0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.530 -4.971 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.267 -4.664 2.164 1.00 0.00 H new ATOM 1045 N ASN A 95 -12.860 -2.343 6.173 1.00 0.00 N ATOM 1046 CA ASN A 95 -13.100 -1.932 7.549 1.00 0.00 C ATOM 1047 C ASN A 95 -12.505 -2.958 8.512 1.00 0.00 C ATOM 1048 O ASN A 95 -12.684 -4.162 8.335 1.00 0.00 O ATOM 1049 CB ASN A 95 -14.603 -1.779 7.792 1.00 0.00 C ATOM 1050 CG ASN A 95 -14.923 -1.106 9.114 1.00 0.00 C ATOM 1051 OD1 ASN A 95 -14.104 -0.148 9.518 1.00 0.00 O flip ATOM 1052 ND2 ASN A 95 -15.918 -1.430 9.760 1.00 0.00 N flip ATOM 0 H ASN A 95 -13.708 -2.510 5.632 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.618 -0.970 7.725 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.040 -1.198 6.980 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -15.072 -2.763 7.768 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -16.528 -2.173 9.419 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -16.133 -0.956 10.637 1.00 0.00 H new ATOM 1059 N GLY A 96 -11.801 -2.474 9.529 1.00 0.00 N ATOM 1060 CA GLY A 96 -11.089 -3.358 10.437 1.00 0.00 C ATOM 1061 C GLY A 96 -9.708 -3.724 9.926 1.00 0.00 C ATOM 1062 O GLY A 96 -8.851 -4.176 10.687 1.00 0.00 O ATOM 0 H GLY A 96 -11.710 -1.481 9.743 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.997 -2.876 11.411 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.671 -4.268 10.585 1.00 0.00 H new ATOM 1066 N LEU A 97 -9.495 -3.521 8.636 1.00 0.00 N ATOM 1067 CA LEU A 97 -8.253 -3.894 7.986 1.00 0.00 C ATOM 1068 C LEU A 97 -7.301 -2.706 7.949 1.00 0.00 C ATOM 1069 O LEU A 97 -7.711 -1.578 7.674 1.00 0.00 O ATOM 1070 CB LEU A 97 -8.571 -4.401 6.570 1.00 0.00 C ATOM 1071 CG LEU A 97 -7.408 -4.966 5.747 1.00 0.00 C ATOM 1072 CD1 LEU A 97 -7.940 -5.879 4.658 1.00 0.00 C ATOM 1073 CD2 LEU A 97 -6.599 -3.853 5.109 1.00 0.00 C ATOM 0 H LEU A 97 -10.179 -3.093 8.012 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.761 -4.690 8.545 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.333 -5.176 6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.013 -3.578 6.008 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.762 -5.528 6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.107 -6.276 4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.492 -6.702 5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.603 -5.315 4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.781 -4.283 4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.241 -3.269 4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.193 -3.206 5.887 1.00 0.00 H new ATOM 1085 N SER A 98 -6.042 -2.961 8.250 1.00 0.00 N ATOM 1086 CA SER A 98 -5.016 -1.938 8.174 1.00 0.00 C ATOM 1087 C SER A 98 -4.035 -2.279 7.057 1.00 0.00 C ATOM 1088 O SER A 98 -3.472 -3.374 7.026 1.00 0.00 O ATOM 1089 CB SER A 98 -4.287 -1.818 9.519 1.00 0.00 C ATOM 1090 OG SER A 98 -3.351 -0.750 9.514 1.00 0.00 O ATOM 0 H SER A 98 -5.703 -3.875 8.552 1.00 0.00 H new ATOM 0 HA SER A 98 -5.480 -0.977 7.952 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.015 -1.661 10.315 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.772 -2.753 9.739 1.00 0.00 H new ATOM 0 HG SER A 98 -2.906 -0.701 10.386 1.00 0.00 H new ATOM 1096 N VAL A 99 -3.861 -1.349 6.129 1.00 0.00 N ATOM 1097 CA VAL A 99 -2.931 -1.533 5.022 1.00 0.00 C ATOM 1098 C VAL A 99 -1.654 -0.774 5.320 1.00 0.00 C ATOM 1099 O VAL A 99 -1.703 0.416 5.624 1.00 0.00 O ATOM 1100 CB VAL A 99 -3.502 -1.015 3.679 1.00 0.00 C ATOM 1101 CG1 VAL A 99 -2.541 -1.306 2.535 1.00 0.00 C ATOM 1102 CG2 VAL A 99 -4.865 -1.617 3.389 1.00 0.00 C ATOM 0 H VAL A 99 -4.353 -0.456 6.120 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.749 -2.603 4.923 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.622 0.065 3.767 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.963 -0.933 1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.588 -0.812 2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.383 -2.382 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.238 -1.233 2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.779 -2.702 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.558 -1.349 4.186 1.00 0.00 H new ATOM 1112 N VAL A 100 -0.518 -1.439 5.239 1.00 0.00 N ATOM 1113 CA VAL A 100 0.748 -0.782 5.502 1.00 0.00 C ATOM 1114 C VAL A 100 1.616 -0.828 4.253 1.00 0.00 C ATOM 1115 O VAL A 100 2.180 -1.870 3.911 1.00 0.00 O ATOM 1116 CB VAL A 100 1.506 -1.431 6.682 1.00 0.00 C ATOM 1117 CG1 VAL A 100 2.753 -0.630 7.029 1.00 0.00 C ATOM 1118 CG2 VAL A 100 0.601 -1.565 7.899 1.00 0.00 C ATOM 0 H VAL A 100 -0.445 -2.427 4.995 1.00 0.00 H new ATOM 0 HA VAL A 100 0.533 0.251 5.775 1.00 0.00 H new ATOM 0 HB VAL A 100 1.815 -2.430 6.375 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.271 -1.105 7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.415 -0.594 6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.468 0.384 7.310 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.156 -2.024 8.717 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.254 -0.578 8.205 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.257 -2.189 7.648 1.00 0.00 H new ATOM 1128 N MET A 101 1.687 0.293 3.557 1.00 0.00 N ATOM 1129 CA MET A 101 2.502 0.395 2.358 1.00 0.00 C ATOM 1130 C MET A 101 3.885 0.908 2.723 1.00 0.00 C ATOM 1131 O MET A 101 4.032 2.056 3.148 1.00 0.00 O ATOM 1132 CB MET A 101 1.847 1.331 1.338 1.00 0.00 C ATOM 1133 CG MET A 101 2.643 1.490 0.051 1.00 0.00 C ATOM 1134 SD MET A 101 2.646 -0.002 -0.961 1.00 0.00 S ATOM 1135 CE MET A 101 0.914 -0.101 -1.417 1.00 0.00 C ATOM 0 H MET A 101 1.189 1.148 3.802 1.00 0.00 H new ATOM 0 HA MET A 101 2.590 -0.594 1.909 1.00 0.00 H new ATOM 0 HB2 MET A 101 0.854 0.952 1.096 1.00 0.00 H new ATOM 0 HB3 MET A 101 1.711 2.312 1.794 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.227 2.315 -0.528 1.00 0.00 H new ATOM 0 HG3 MET A 101 3.671 1.759 0.296 1.00 0.00 H new ATOM 0 HE1 MET A 101 0.808 -0.716 -2.311 1.00 0.00 H new ATOM 0 HE2 MET A 101 0.348 -0.548 -0.600 1.00 0.00 H new ATOM 0 HE3 MET A 101 0.533 0.900 -1.618 1.00 0.00 H new ATOM 1145 N THR A 102 4.886 0.056 2.575 1.00 0.00 N ATOM 1146 CA THR A 102 6.254 0.424 2.900 1.00 0.00 C ATOM 1147 C THR A 102 7.100 0.517 1.631 1.00 0.00 C ATOM 1148 O THR A 102 7.655 -0.479 1.170 1.00 0.00 O ATOM 1149 CB THR A 102 6.886 -0.604 3.861 1.00 0.00 C ATOM 1150 OG1 THR A 102 5.949 -0.952 4.892 1.00 0.00 O ATOM 1151 CG2 THR A 102 8.156 -0.052 4.493 1.00 0.00 C ATOM 0 H THR A 102 4.776 -0.898 2.231 1.00 0.00 H new ATOM 0 HA THR A 102 6.229 1.398 3.389 1.00 0.00 H new ATOM 0 HB THR A 102 7.143 -1.493 3.285 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.357 -1.606 5.497 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.581 -0.797 5.166 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.878 0.185 3.712 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.920 0.852 5.055 1.00 0.00 H new ATOM 1159 N PRO A 103 7.172 1.709 1.024 1.00 0.00 N ATOM 1160 CA PRO A 103 7.998 1.938 -0.154 1.00 0.00 C ATOM 1161 C PRO A 103 9.474 2.087 0.197 1.00 0.00 C ATOM 1162 O PRO A 103 9.836 2.803 1.136 1.00 0.00 O ATOM 1163 CB PRO A 103 7.447 3.242 -0.728 1.00 0.00 C ATOM 1164 CG PRO A 103 6.886 3.969 0.447 1.00 0.00 C ATOM 1165 CD PRO A 103 6.441 2.919 1.431 1.00 0.00 C ATOM 0 HA PRO A 103 7.955 1.102 -0.852 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.231 3.822 -1.215 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.680 3.051 -1.478 1.00 0.00 H new ATOM 0 HG2 PRO A 103 7.636 4.624 0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 103 6.049 4.600 0.149 1.00 0.00 H new ATOM 0 HD2 PRO A 103 6.683 3.205 2.455 1.00 0.00 H new ATOM 0 HD3 PRO A 103 5.363 2.766 1.389 1.00 0.00 H new ATOM 1173 N GLY A 104 10.311 1.389 -0.547 1.00 0.00 N ATOM 1174 CA GLY A 104 11.740 1.518 -0.385 1.00 0.00 C ATOM 1175 C GLY A 104 12.297 0.633 0.709 1.00 0.00 C ATOM 1176 O GLY A 104 11.587 0.248 1.639 1.00 0.00 O ATOM 0 H GLY A 104 10.023 0.728 -1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 104 12.230 1.272 -1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.982 2.557 -0.162 1.00 0.00 H new ATOM 1291 N GLY A 113 11.390 -0.718 -4.265 1.00 0.00 N ATOM 1292 CA GLY A 113 10.183 -1.513 -4.330 1.00 0.00 C ATOM 1293 C GLY A 113 9.161 -1.100 -3.292 1.00 0.00 C ATOM 1294 O GLY A 113 9.319 -0.073 -2.627 1.00 0.00 O ATOM 0 HA2 GLY A 113 9.744 -1.422 -5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 113 10.436 -2.564 -4.189 1.00 0.00 H new ATOM 1298 N TRP A 114 8.112 -1.896 -3.152 1.00 0.00 N ATOM 1299 CA TRP A 114 7.036 -1.603 -2.217 1.00 0.00 C ATOM 1300 C TRP A 114 6.661 -2.852 -1.435 1.00 0.00 C ATOM 1301 O TRP A 114 6.423 -3.909 -2.024 1.00 0.00 O ATOM 1302 CB TRP A 114 5.794 -1.093 -2.954 1.00 0.00 C ATOM 1303 CG TRP A 114 5.971 0.229 -3.633 1.00 0.00 C ATOM 1304 CD1 TRP A 114 5.649 1.452 -3.126 1.00 0.00 C ATOM 1305 CD2 TRP A 114 6.495 0.461 -4.946 1.00 0.00 C ATOM 1306 NE1 TRP A 114 5.942 2.433 -4.042 1.00 0.00 N ATOM 1307 CE2 TRP A 114 6.466 1.849 -5.165 1.00 0.00 C ATOM 1308 CE3 TRP A 114 6.989 -0.370 -5.956 1.00 0.00 C ATOM 1309 CZ2 TRP A 114 6.911 2.424 -6.351 1.00 0.00 C ATOM 1310 CZ3 TRP A 114 7.431 0.203 -7.133 1.00 0.00 C ATOM 1311 CH2 TRP A 114 7.391 1.590 -7.321 1.00 0.00 C ATOM 0 H TRP A 114 7.982 -2.759 -3.680 1.00 0.00 H new ATOM 0 HA TRP A 114 7.392 -0.831 -1.535 1.00 0.00 H new ATOM 0 HB2 TRP A 114 5.500 -1.833 -3.699 1.00 0.00 H new ATOM 0 HB3 TRP A 114 4.972 -1.014 -2.242 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.226 1.625 -2.148 1.00 0.00 H new ATOM 0 HE1 TRP A 114 5.794 3.433 -3.908 1.00 0.00 H new ATOM 0 HE3 TRP A 114 7.024 -1.441 -5.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 6.878 3.493 -6.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 7.814 -0.429 -7.921 1.00 0.00 H new ATOM 0 HH2 TRP A 114 7.747 2.009 -8.251 1.00 0.00 H new ATOM 1322 N ALA A 115 6.616 -2.737 -0.120 1.00 0.00 N ATOM 1323 CA ALA A 115 6.136 -3.821 0.716 1.00 0.00 C ATOM 1324 C ALA A 115 4.676 -3.591 1.072 1.00 0.00 C ATOM 1325 O ALA A 115 4.326 -2.560 1.648 1.00 0.00 O ATOM 1326 CB ALA A 115 6.981 -3.961 1.970 1.00 0.00 C ATOM 0 H ALA A 115 6.906 -1.904 0.392 1.00 0.00 H new ATOM 0 HA ALA A 115 6.220 -4.753 0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 115 6.598 -4.781 2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 115 8.014 -4.168 1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.938 -3.035 2.543 1.00 0.00 H new ATOM 1332 N ARG A 116 3.825 -4.537 0.710 1.00 0.00 N ATOM 1333 CA ARG A 116 2.397 -4.401 0.948 1.00 0.00 C ATOM 1334 C ARG A 116 1.941 -5.349 2.046 1.00 0.00 C ATOM 1335 O ARG A 116 2.259 -6.539 2.025 1.00 0.00 O ATOM 1336 CB ARG A 116 1.586 -4.674 -0.324 1.00 0.00 C ATOM 1337 CG ARG A 116 1.678 -3.589 -1.392 1.00 0.00 C ATOM 1338 CD ARG A 116 2.960 -3.673 -2.209 1.00 0.00 C ATOM 1339 NE ARG A 116 2.913 -2.785 -3.371 1.00 0.00 N ATOM 1340 CZ ARG A 116 3.511 -3.035 -4.537 1.00 0.00 C ATOM 1341 NH1 ARG A 116 4.267 -4.116 -4.686 1.00 0.00 N ATOM 1342 NH2 ARG A 116 3.371 -2.186 -5.547 1.00 0.00 N ATOM 0 H ARG A 116 4.097 -5.406 0.251 1.00 0.00 H new ATOM 0 HA ARG A 116 2.221 -3.372 1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.922 -5.617 -0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 116 0.539 -4.804 -0.049 1.00 0.00 H new ATOM 0 HG2 ARG A 116 0.821 -3.670 -2.060 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.620 -2.610 -0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 116 3.811 -3.408 -1.581 1.00 0.00 H new ATOM 0 HD3 ARG A 116 3.115 -4.700 -2.540 1.00 0.00 H new ATOM 0 HE ARG A 116 2.387 -1.915 -3.284 1.00 0.00 H new ATOM 0 HH11 ARG A 116 4.393 -4.761 -3.906 1.00 0.00 H new ATOM 0 HH12 ARG A 116 4.721 -4.301 -5.580 1.00 0.00 H new ATOM 0 HH21 ARG A 116 2.807 -1.344 -5.431 1.00 0.00 H new ATOM 0 HH22 ARG A 116 3.827 -2.375 -6.439 1.00 0.00 H new ATOM 1356 N ASN A 117 1.192 -4.820 2.999 1.00 0.00 N ATOM 1357 CA ASN A 117 0.696 -5.621 4.107 1.00 0.00 C ATOM 1358 C ASN A 117 -0.764 -5.308 4.388 1.00 0.00 C ATOM 1359 O ASN A 117 -1.141 -4.145 4.533 1.00 0.00 O ATOM 1360 CB ASN A 117 1.524 -5.372 5.370 1.00 0.00 C ATOM 1361 CG ASN A 117 1.023 -6.172 6.561 1.00 0.00 C ATOM 1362 OD1 ASN A 117 0.186 -5.704 7.334 1.00 0.00 O ATOM 1363 ND2 ASN A 117 1.528 -7.384 6.716 1.00 0.00 N ATOM 0 H ASN A 117 0.914 -3.839 3.028 1.00 0.00 H new ATOM 0 HA ASN A 117 0.786 -6.670 3.824 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.565 -5.630 5.175 1.00 0.00 H new ATOM 0 HB3 ASN A 117 1.499 -4.310 5.613 1.00 0.00 H new ATOM 0 HD21 ASN A 117 1.226 -7.966 7.497 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.220 -7.737 6.054 1.00 0.00 H new ATOM 1370 N CYS A 118 -1.575 -6.349 4.438 1.00 0.00 N ATOM 1371 CA CYS A 118 -2.965 -6.224 4.840 1.00 0.00 C ATOM 1372 C CYS A 118 -3.179 -6.913 6.176 1.00 0.00 C ATOM 1373 O CYS A 118 -3.005 -8.128 6.286 1.00 0.00 O ATOM 1374 CB CYS A 118 -3.892 -6.860 3.804 1.00 0.00 C ATOM 1375 SG CYS A 118 -4.173 -5.869 2.306 1.00 0.00 S ATOM 0 H CYS A 118 -1.291 -7.300 4.203 1.00 0.00 H new ATOM 0 HA CYS A 118 -3.198 -5.162 4.923 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -3.476 -7.824 3.510 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -4.855 -7.059 4.275 1.00 0.00 H new ATOM 1380 N ASN A 119 -3.541 -6.152 7.193 1.00 0.00 N ATOM 1381 CA ASN A 119 -3.849 -6.743 8.482 1.00 0.00 C ATOM 1382 C ASN A 119 -5.344 -6.669 8.754 1.00 0.00 C ATOM 1383 O ASN A 119 -5.876 -5.614 9.096 1.00 0.00 O ATOM 1384 CB ASN A 119 -3.079 -6.037 9.600 1.00 0.00 C ATOM 1385 CG ASN A 119 -3.403 -6.599 10.975 1.00 0.00 C ATOM 1386 OD1 ASN A 119 -4.341 -6.154 11.636 1.00 0.00 O ATOM 1387 ND2 ASN A 119 -2.624 -7.571 11.423 1.00 0.00 N ATOM 0 H ASN A 119 -3.628 -5.137 7.153 1.00 0.00 H new ATOM 0 HA ASN A 119 -3.544 -7.789 8.458 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -2.009 -6.131 9.415 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -3.313 -4.973 9.582 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -2.792 -7.976 12.344 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -1.855 -7.915 10.847 1.00 0.00 H new ATOM 1394 N ILE A 120 -6.011 -7.794 8.582 1.00 0.00 N ATOM 1395 CA ILE A 120 -7.416 -7.923 8.922 1.00 0.00 C ATOM 1396 C ILE A 120 -7.640 -9.251 9.650 1.00 0.00 C ATOM 1397 O ILE A 120 -7.702 -10.317 9.034 1.00 0.00 O ATOM 1398 CB ILE A 120 -8.311 -7.806 7.666 1.00 0.00 C ATOM 1399 CG1 ILE A 120 -9.786 -8.030 8.009 1.00 0.00 C ATOM 1400 CG2 ILE A 120 -7.858 -8.766 6.577 1.00 0.00 C ATOM 1401 CD1 ILE A 120 -10.395 -6.959 8.890 1.00 0.00 C ATOM 0 H ILE A 120 -5.595 -8.644 8.203 1.00 0.00 H new ATOM 0 HA ILE A 120 -7.699 -7.106 9.586 1.00 0.00 H new ATOM 0 HB ILE A 120 -8.207 -6.790 7.285 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -10.357 -8.088 7.082 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -9.888 -8.994 8.507 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.506 -8.661 5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -6.831 -8.537 6.294 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.912 -9.789 6.948 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -11.441 -7.198 9.083 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -9.853 -6.914 9.835 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -10.330 -5.994 8.388 1.00 0.00 H new ATOM 1413 N GLN A 121 -7.733 -9.186 10.965 1.00 0.00 N ATOM 1414 CA GLN A 121 -7.729 -10.390 11.784 1.00 0.00 C ATOM 1415 C GLN A 121 -9.051 -11.154 11.691 1.00 0.00 C ATOM 1416 O GLN A 121 -9.059 -12.383 11.646 1.00 0.00 O ATOM 1417 CB GLN A 121 -7.423 -10.026 13.240 1.00 0.00 C ATOM 1418 CG GLN A 121 -7.193 -11.227 14.137 1.00 0.00 C ATOM 1419 CD GLN A 121 -6.875 -10.823 15.560 1.00 0.00 C ATOM 1420 OE1 GLN A 121 -5.713 -10.617 15.913 1.00 0.00 O ATOM 1421 NE2 GLN A 121 -7.899 -10.709 16.387 1.00 0.00 N ATOM 0 H GLN A 121 -7.812 -8.316 11.491 1.00 0.00 H new ATOM 0 HA GLN A 121 -6.950 -11.050 11.402 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -6.539 -9.390 13.267 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -8.250 -9.439 13.639 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -8.081 -11.859 14.130 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -6.373 -11.825 13.739 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -8.846 -10.889 16.054 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -7.742 -10.441 17.359 1.00 0.00 H new ATOM 1430 N SER A 122 -10.163 -10.434 11.641 1.00 0.00 N ATOM 1431 CA SER A 122 -11.477 -11.063 11.736 1.00 0.00 C ATOM 1432 C SER A 122 -12.053 -11.449 10.371 1.00 0.00 C ATOM 1433 O SER A 122 -13.021 -12.205 10.300 1.00 0.00 O ATOM 1434 CB SER A 122 -12.438 -10.111 12.450 1.00 0.00 C ATOM 1435 OG SER A 122 -11.833 -9.565 13.614 1.00 0.00 O ATOM 0 H SER A 122 -10.184 -9.420 11.536 1.00 0.00 H new ATOM 0 HA SER A 122 -11.357 -11.987 12.301 1.00 0.00 H new ATOM 0 HB2 SER A 122 -12.730 -9.307 11.775 1.00 0.00 H new ATOM 0 HB3 SER A 122 -13.349 -10.644 12.723 1.00 0.00 H new ATOM 0 HG SER A 122 -12.463 -8.958 14.056 1.00 0.00 H new ATOM 1441 N ASP A 123 -11.461 -10.954 9.290 1.00 0.00 N ATOM 1442 CA ASP A 123 -12.032 -11.158 7.956 1.00 0.00 C ATOM 1443 C ASP A 123 -10.953 -11.367 6.900 1.00 0.00 C ATOM 1444 O ASP A 123 -10.537 -10.421 6.232 1.00 0.00 O ATOM 1445 CB ASP A 123 -12.910 -9.970 7.547 1.00 0.00 C ATOM 1446 CG ASP A 123 -14.234 -9.929 8.281 1.00 0.00 C ATOM 1447 OD1 ASP A 123 -14.382 -9.112 9.214 1.00 0.00 O ATOM 1448 OD2 ASP A 123 -15.144 -10.702 7.910 1.00 0.00 O ATOM 0 H ASP A 123 -10.596 -10.414 9.305 1.00 0.00 H new ATOM 0 HA ASP A 123 -12.641 -12.060 8.013 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -12.368 -9.043 7.736 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -13.097 -10.017 6.474 1.00 0.00 H new ATOM 1453 N SER A 124 -10.524 -12.611 6.731 1.00 0.00 N ATOM 1454 CA SER A 124 -9.506 -12.948 5.738 1.00 0.00 C ATOM 1455 C SER A 124 -9.978 -12.598 4.317 1.00 0.00 C ATOM 1456 O SER A 124 -9.164 -12.410 3.412 1.00 0.00 O ATOM 1457 CB SER A 124 -9.151 -14.439 5.830 1.00 0.00 C ATOM 1458 OG SER A 124 -7.977 -14.740 5.093 1.00 0.00 O ATOM 0 H SER A 124 -10.865 -13.407 7.269 1.00 0.00 H new ATOM 0 HA SER A 124 -8.615 -12.357 5.951 1.00 0.00 H new ATOM 0 HB2 SER A 124 -9.007 -14.716 6.874 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.982 -15.036 5.453 1.00 0.00 H new ATOM 0 HG SER A 124 -7.777 -15.696 5.173 1.00 0.00 H new ATOM 1464 N ALA A 125 -11.293 -12.501 4.132 1.00 0.00 N ATOM 1465 CA ALA A 125 -11.870 -12.163 2.834 1.00 0.00 C ATOM 1466 C ALA A 125 -11.451 -10.768 2.384 1.00 0.00 C ATOM 1467 O ALA A 125 -11.221 -10.530 1.198 1.00 0.00 O ATOM 1468 CB ALA A 125 -13.386 -12.258 2.888 1.00 0.00 C ATOM 0 H ALA A 125 -11.981 -12.653 4.869 1.00 0.00 H new ATOM 0 HA ALA A 125 -11.492 -12.881 2.106 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -13.801 -12.003 1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -13.678 -13.274 3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -13.768 -11.565 3.637 1.00 0.00 H new ATOM 1474 N LEU A 126 -11.347 -9.848 3.334 1.00 0.00 N ATOM 1475 CA LEU A 126 -10.956 -8.481 3.024 1.00 0.00 C ATOM 1476 C LEU A 126 -9.488 -8.435 2.629 1.00 0.00 C ATOM 1477 O LEU A 126 -9.079 -7.610 1.813 1.00 0.00 O ATOM 1478 CB LEU A 126 -11.214 -7.559 4.215 1.00 0.00 C ATOM 1479 CG LEU A 126 -12.677 -7.462 4.657 1.00 0.00 C ATOM 1480 CD1 LEU A 126 -12.820 -6.509 5.832 1.00 0.00 C ATOM 1481 CD2 LEU A 126 -13.560 -7.016 3.500 1.00 0.00 C ATOM 0 H LEU A 126 -11.528 -10.024 4.322 1.00 0.00 H new ATOM 0 HA LEU A 126 -11.559 -8.131 2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.618 -7.906 5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -10.859 -6.559 3.964 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.002 -8.452 4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.867 -6.454 6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.222 -6.871 6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -12.474 -5.517 5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -14.595 -6.954 3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -13.233 -6.037 3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.485 -7.737 2.686 1.00 0.00 H new ATOM 1493 N GLN A 127 -8.707 -9.344 3.205 1.00 0.00 N ATOM 1494 CA GLN A 127 -7.303 -9.484 2.852 1.00 0.00 C ATOM 1495 C GLN A 127 -7.172 -9.863 1.385 1.00 0.00 C ATOM 1496 O GLN A 127 -6.373 -9.286 0.655 1.00 0.00 O ATOM 1497 CB GLN A 127 -6.638 -10.549 3.730 1.00 0.00 C ATOM 1498 CG GLN A 127 -5.246 -10.948 3.263 1.00 0.00 C ATOM 1499 CD GLN A 127 -4.606 -11.987 4.164 1.00 0.00 C ATOM 1500 OE1 GLN A 127 -5.294 -12.796 4.789 1.00 0.00 O ATOM 1501 NE2 GLN A 127 -3.285 -11.987 4.224 1.00 0.00 N ATOM 0 H GLN A 127 -9.027 -9.996 3.921 1.00 0.00 H new ATOM 0 HA GLN A 127 -6.802 -8.530 3.019 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -6.575 -10.176 4.752 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -7.272 -11.436 3.752 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -5.305 -11.340 2.248 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -4.611 -10.063 3.227 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -2.750 -11.301 3.692 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -2.801 -12.673 4.803 1.00 0.00 H new ATOM 1510 N GLN A 128 -7.991 -10.816 0.963 1.00 0.00 N ATOM 1511 CA GLN A 128 -7.981 -11.282 -0.417 1.00 0.00 C ATOM 1512 C GLN A 128 -8.363 -10.158 -1.371 1.00 0.00 C ATOM 1513 O GLN A 128 -7.900 -10.110 -2.513 1.00 0.00 O ATOM 1514 CB GLN A 128 -8.949 -12.451 -0.589 1.00 0.00 C ATOM 1515 CG GLN A 128 -8.608 -13.657 0.266 1.00 0.00 C ATOM 1516 CD GLN A 128 -9.517 -14.834 -0.011 1.00 0.00 C ATOM 1517 OE1 GLN A 128 -10.572 -14.982 0.606 1.00 0.00 O ATOM 1518 NE2 GLN A 128 -9.119 -15.675 -0.948 1.00 0.00 N ATOM 0 H GLN A 128 -8.674 -11.284 1.559 1.00 0.00 H new ATOM 0 HA GLN A 128 -6.970 -11.614 -0.653 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -9.957 -12.116 -0.343 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -8.960 -12.751 -1.637 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -7.574 -13.949 0.083 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -8.680 -13.385 1.319 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -8.237 -15.515 -1.435 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -9.693 -16.484 -1.184 1.00 0.00 H new ATOM 1527 N ALA A 129 -9.213 -9.260 -0.893 1.00 0.00 N ATOM 1528 CA ALA A 129 -9.681 -8.145 -1.695 1.00 0.00 C ATOM 1529 C ALA A 129 -8.600 -7.082 -1.854 1.00 0.00 C ATOM 1530 O ALA A 129 -8.322 -6.629 -2.966 1.00 0.00 O ATOM 1531 CB ALA A 129 -10.927 -7.539 -1.071 1.00 0.00 C ATOM 0 H ALA A 129 -9.593 -9.285 0.053 1.00 0.00 H new ATOM 0 HA ALA A 129 -9.926 -8.524 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.270 -6.703 -1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -11.711 -8.294 -1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -10.695 -7.184 -0.067 1.00 0.00 H new ATOM 1537 N CYS A 130 -7.981 -6.695 -0.744 1.00 0.00 N ATOM 1538 CA CYS A 130 -6.977 -5.642 -0.772 1.00 0.00 C ATOM 1539 C CYS A 130 -5.721 -6.106 -1.495 1.00 0.00 C ATOM 1540 O CYS A 130 -5.180 -5.381 -2.325 1.00 0.00 O ATOM 1541 CB CYS A 130 -6.634 -5.177 0.646 1.00 0.00 C ATOM 1542 SG CYS A 130 -6.012 -6.499 1.727 1.00 0.00 S ATOM 0 H CYS A 130 -8.156 -7.092 0.179 1.00 0.00 H new ATOM 0 HA CYS A 130 -7.396 -4.798 -1.320 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -5.885 -4.387 0.587 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -7.524 -4.740 1.099 1.00 0.00 H new ATOM 1547 N GLU A 131 -5.274 -7.326 -1.199 1.00 0.00 N ATOM 1548 CA GLU A 131 -4.073 -7.873 -1.822 1.00 0.00 C ATOM 1549 C GLU A 131 -4.240 -8.011 -3.328 1.00 0.00 C ATOM 1550 O GLU A 131 -3.260 -8.102 -4.051 1.00 0.00 O ATOM 1551 CB GLU A 131 -3.679 -9.225 -1.219 1.00 0.00 C ATOM 1552 CG GLU A 131 -4.644 -10.354 -1.537 1.00 0.00 C ATOM 1553 CD GLU A 131 -4.073 -11.717 -1.207 1.00 0.00 C ATOM 1554 OE1 GLU A 131 -3.981 -12.564 -2.121 1.00 0.00 O ATOM 1555 OE2 GLU A 131 -3.696 -11.942 -0.040 1.00 0.00 O ATOM 0 H GLU A 131 -5.726 -7.952 -0.533 1.00 0.00 H new ATOM 0 HA GLU A 131 -3.271 -7.163 -1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -2.688 -9.497 -1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.605 -9.120 -0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -5.568 -10.206 -0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -4.903 -10.319 -2.595 1.00 0.00 H new ATOM 1562 N ASP A 132 -5.478 -8.107 -3.791 1.00 0.00 N ATOM 1563 CA ASP A 132 -5.737 -8.227 -5.221 1.00 0.00 C ATOM 1564 C ASP A 132 -5.437 -6.914 -5.951 1.00 0.00 C ATOM 1565 O ASP A 132 -4.757 -6.908 -6.976 1.00 0.00 O ATOM 1566 CB ASP A 132 -7.181 -8.656 -5.481 1.00 0.00 C ATOM 1567 CG ASP A 132 -7.419 -8.994 -6.940 1.00 0.00 C ATOM 1568 OD1 ASP A 132 -6.907 -10.033 -7.405 1.00 0.00 O ATOM 1569 OD2 ASP A 132 -8.122 -8.232 -7.626 1.00 0.00 O ATOM 0 H ASP A 132 -6.313 -8.104 -3.205 1.00 0.00 H new ATOM 0 HA ASP A 132 -5.070 -8.996 -5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -7.418 -9.523 -4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -7.857 -7.856 -5.179 1.00 0.00 H new ATOM 1574 N VAL A 133 -5.940 -5.806 -5.414 1.00 0.00 N ATOM 1575 CA VAL A 133 -5.743 -4.493 -6.030 1.00 0.00 C ATOM 1576 C VAL A 133 -4.388 -3.897 -5.641 1.00 0.00 C ATOM 1577 O VAL A 133 -3.615 -3.453 -6.494 1.00 0.00 O ATOM 1578 CB VAL A 133 -6.873 -3.516 -5.635 1.00 0.00 C ATOM 1579 CG1 VAL A 133 -6.613 -2.125 -6.186 1.00 0.00 C ATOM 1580 CG2 VAL A 133 -8.215 -4.035 -6.122 1.00 0.00 C ATOM 0 H VAL A 133 -6.487 -5.789 -4.554 1.00 0.00 H new ATOM 0 HA VAL A 133 -5.765 -4.638 -7.110 1.00 0.00 H new ATOM 0 HB VAL A 133 -6.895 -3.449 -4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -7.425 -1.460 -5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -5.671 -1.746 -5.789 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.556 -2.169 -7.274 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -9.001 -3.336 -5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -8.195 -4.134 -7.207 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -8.414 -5.008 -5.672 1.00 0.00 H new ATOM 1590 N PHE A 134 -4.104 -3.927 -4.347 1.00 0.00 N ATOM 1591 CA PHE A 134 -2.849 -3.429 -3.782 1.00 0.00 C ATOM 1592 C PHE A 134 -1.747 -4.467 -3.957 1.00 0.00 C ATOM 1593 O PHE A 134 -0.769 -4.485 -3.211 1.00 0.00 O ATOM 1594 CB PHE A 134 -3.017 -3.060 -2.304 1.00 0.00 C ATOM 1595 CG PHE A 134 -3.948 -1.897 -2.081 1.00 0.00 C ATOM 1596 CD1 PHE A 134 -5.314 -2.099 -1.955 1.00 0.00 C ATOM 1597 CD2 PHE A 134 -3.457 -0.602 -2.008 1.00 0.00 C ATOM 1598 CE1 PHE A 134 -6.172 -1.035 -1.758 1.00 0.00 C ATOM 1599 CE2 PHE A 134 -4.312 0.468 -1.810 1.00 0.00 C ATOM 1600 CZ PHE A 134 -5.671 0.251 -1.685 1.00 0.00 C ATOM 0 H PHE A 134 -4.744 -4.302 -3.647 1.00 0.00 H new ATOM 0 HA PHE A 134 -2.566 -2.524 -4.319 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -3.394 -3.927 -1.761 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -2.040 -2.820 -1.884 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -5.712 -3.101 -2.012 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -2.396 -0.427 -2.107 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -7.234 -1.208 -1.661 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -3.917 1.472 -1.753 1.00 0.00 H new ATOM 0 HZ PHE A 134 -6.340 1.085 -1.531 1.00 0.00 H new ATOM 1610 N ARG A 135 -1.942 -5.323 -4.952 1.00 0.00 N ATOM 1611 CA ARG A 135 -1.180 -6.552 -5.120 1.00 0.00 C ATOM 1612 C ARG A 135 0.322 -6.321 -5.068 1.00 0.00 C ATOM 1613 O ARG A 135 0.845 -5.306 -5.539 1.00 0.00 O ATOM 1614 CB ARG A 135 -1.563 -7.223 -6.443 1.00 0.00 C ATOM 1615 CG ARG A 135 -1.344 -6.348 -7.666 1.00 0.00 C ATOM 1616 CD ARG A 135 -1.789 -7.050 -8.939 1.00 0.00 C ATOM 1617 NE ARG A 135 -1.594 -6.220 -10.126 1.00 0.00 N ATOM 1618 CZ ARG A 135 -2.264 -6.387 -11.268 1.00 0.00 C ATOM 1619 NH1 ARG A 135 -3.170 -7.355 -11.376 1.00 0.00 N ATOM 1620 NH2 ARG A 135 -2.027 -5.591 -12.303 1.00 0.00 N ATOM 0 H ARG A 135 -2.646 -5.180 -5.676 1.00 0.00 H new ATOM 0 HA ARG A 135 -1.431 -7.205 -4.284 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -0.983 -8.139 -6.555 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -2.613 -7.514 -6.400 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -1.896 -5.415 -7.551 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -0.289 -6.086 -7.743 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -1.232 -7.980 -9.053 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -2.842 -7.318 -8.855 1.00 0.00 H new ATOM 0 HE ARG A 135 -0.905 -5.469 -10.079 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -3.354 -7.972 -10.585 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -3.681 -7.480 -12.250 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -1.331 -4.849 -12.227 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -2.541 -5.721 -13.175 1.00 0.00 H new