USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 856 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 103 HIS : no HD1:sc= -0.386 X(o=-0.49,f=-0.42) USER MOD Set 1.2: A 112 ASN : amide:sc= -0.106 X(o=-0.49,f=-0.42) USER MOD Set 2.1: A 75 ASN : amide:sc= -0.323 K(o=-0.32,f=-4.9!) USER MOD Set 2.2: A 78 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 63 CYS SG : rot 180:sc= 1.09 USER MOD Set 3.2: A 90 CYS SG : rot -59:sc= 1.39 USER MOD Set 4.1: A 43 TYR OH : rot 180:sc= 1.04 USER MOD Set 4.2: A 46 THR OG1 : rot 84:sc= 1.28 USER MOD Set 5.1: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0125 X(o=-0.013,f=-0.038) USER MOD Single : A 33 TYR OH : rot 153:sc= 1.05 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.825 K(o=0.82,f=-7.3!) USER MOD Single : A 41 ASN : amide:sc= -0.0481 X(o=-0.048,f=0) USER MOD Single : A 44 MET CE :methyl -153:sc= -0.128 (180deg=-1.41!) USER MOD Single : A 52 ASN : amide:sc= -0.0243 X(o=-0.024,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.165 USER MOD Single : A 56 SER OG : rot -134:sc= 1.4 USER MOD Single : A 58 GLN : amide:sc= -0.087 K(o=-0.087,f=-1.1) USER MOD Single : A 65 THR OG1 : rot -102:sc= 0.0816 USER MOD Single : A 68 GLN : amide:sc= -0.623 K(o=-0.62,f=-1.7) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -161:sc= -0.267 (180deg=-0.707) USER MOD Single : A 76 THR OG1 : rot -174:sc= 1.05 USER MOD Single : A 82 MET CE :methyl 147:sc= -4.76! (180deg=-11.1!) USER MOD Single : A 83 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.9) USER MOD Single : A 94 THR OG1 : rot -35:sc= 0.395 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0.205 X(o=0.2,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0523 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 109 GLN : amide:sc= -0.145 X(o=-0.15,f=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0.83 K(o=0.83,f=-0.41) USER MOD Single : A 120 MET CE :methyl -136:sc= -0.12 (180deg=-0.395) USER MOD Single : A 121 SER OG : rot 150:sc= 0.292 USER MOD Single : A 122 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.27) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 -8.043 -17.472 4.745 1.00 0.00 N ATOM 2 CA GLY A 25 -8.089 -17.413 6.213 1.00 0.00 C ATOM 3 C GLY A 25 -6.843 -18.027 6.816 1.00 0.00 C ATOM 4 O GLY A 25 -6.911 -19.136 7.347 1.00 0.00 O ATOM 0 HA2 GLY A 25 -8.182 -16.376 6.537 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.971 -17.941 6.575 1.00 0.00 H new ATOM 8 N GLN A 26 -5.709 -17.327 6.743 1.00 0.00 N ATOM 9 CA GLN A 26 -4.386 -17.812 7.136 1.00 0.00 C ATOM 10 C GLN A 26 -3.660 -16.754 7.982 1.00 0.00 C ATOM 11 O GLN A 26 -4.271 -15.742 8.313 1.00 0.00 O ATOM 12 CB GLN A 26 -3.595 -18.175 5.867 1.00 0.00 C ATOM 13 CG GLN A 26 -2.911 -19.534 5.993 1.00 0.00 C ATOM 14 CD GLN A 26 -3.913 -20.675 5.841 1.00 0.00 C ATOM 15 OE1 GLN A 26 -4.458 -21.199 6.806 1.00 0.00 O ATOM 16 NE2 GLN A 26 -4.169 -21.100 4.616 1.00 0.00 N ATOM 0 H GLN A 26 -5.687 -16.369 6.394 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.479 -18.705 7.754 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.268 -18.185 5.010 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.845 -17.408 5.674 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.135 -19.625 5.233 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.418 -19.607 6.962 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.712 -20.660 3.817 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.824 -21.868 4.469 1.00 0.00 H new ATOM 25 N GLU A 27 -2.380 -16.958 8.313 1.00 0.00 N ATOM 26 CA GLU A 27 -1.450 -15.928 8.777 1.00 0.00 C ATOM 27 C GLU A 27 -0.030 -16.489 8.673 1.00 0.00 C ATOM 28 O GLU A 27 0.291 -17.450 9.380 1.00 0.00 O ATOM 29 CB GLU A 27 -1.770 -15.502 10.222 1.00 0.00 C ATOM 30 CG GLU A 27 -0.750 -14.500 10.798 1.00 0.00 C ATOM 31 CD GLU A 27 -0.941 -14.285 12.301 1.00 0.00 C ATOM 32 OE1 GLU A 27 -0.021 -14.655 13.071 1.00 0.00 O ATOM 33 OE2 GLU A 27 -2.002 -13.771 12.703 1.00 0.00 O ATOM 0 H GLU A 27 -1.949 -17.881 8.262 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.545 -15.037 8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.764 -15.056 10.251 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.799 -16.387 10.857 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.260 -14.863 10.610 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.848 -13.546 10.280 1.00 0.00 H new ATOM 41 N LEU A 28 0.811 -15.933 7.787 1.00 0.00 N ATOM 42 CA LEU A 28 2.202 -16.343 7.601 1.00 0.00 C ATOM 43 C LEU A 28 3.195 -15.213 7.228 1.00 0.00 C ATOM 44 O LEU A 28 3.846 -15.268 6.188 1.00 0.00 O ATOM 45 CB LEU A 28 2.288 -17.608 6.723 1.00 0.00 C ATOM 46 CG LEU A 28 1.561 -17.692 5.362 1.00 0.00 C ATOM 47 CD1 LEU A 28 0.034 -17.773 5.458 1.00 0.00 C ATOM 48 CD2 LEU A 28 1.888 -16.517 4.453 1.00 0.00 C ATOM 0 H LEU A 28 0.532 -15.170 7.170 1.00 0.00 H new ATOM 0 HA LEU A 28 2.571 -16.617 8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.345 -17.790 6.530 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.927 -18.440 7.328 1.00 0.00 H new ATOM 0 HG LEU A 28 1.937 -18.626 4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.391 -17.829 4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.248 -18.662 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.346 -16.886 5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.351 -16.626 3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.587 -15.588 4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.960 -16.494 4.259 1.00 0.00 H new ATOM 60 N PRO A 29 3.367 -14.170 8.056 1.00 0.00 N ATOM 61 CA PRO A 29 4.329 -13.105 7.778 1.00 0.00 C ATOM 62 C PRO A 29 5.781 -13.583 7.965 1.00 0.00 C ATOM 63 O PRO A 29 6.094 -14.181 8.997 1.00 0.00 O ATOM 64 CB PRO A 29 4.007 -11.980 8.754 1.00 0.00 C ATOM 65 CG PRO A 29 3.317 -12.697 9.922 1.00 0.00 C ATOM 66 CD PRO A 29 2.687 -13.948 9.316 1.00 0.00 C ATOM 0 HA PRO A 29 4.249 -12.778 6.741 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.909 -11.462 9.079 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.355 -11.232 8.302 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.033 -12.956 10.702 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.561 -12.060 10.382 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.806 -14.805 9.979 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.617 -13.810 9.162 1.00 0.00 H new ATOM 74 N PRO A 30 6.687 -13.339 7.006 1.00 0.00 N ATOM 75 CA PRO A 30 8.126 -13.465 7.181 1.00 0.00 C ATOM 76 C PRO A 30 8.801 -12.239 7.810 1.00 0.00 C ATOM 77 O PRO A 30 9.911 -12.408 8.318 1.00 0.00 O ATOM 78 CB PRO A 30 8.687 -13.669 5.770 1.00 0.00 C ATOM 79 CG PRO A 30 7.710 -12.868 4.914 1.00 0.00 C ATOM 80 CD PRO A 30 6.378 -13.114 5.613 1.00 0.00 C ATOM 0 HA PRO A 30 8.326 -14.286 7.870 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.707 -13.296 5.680 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.706 -14.722 5.488 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.966 -11.809 4.890 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.696 -13.216 3.881 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.713 -12.258 5.495 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.867 -13.976 5.184 1.00 0.00 H new ATOM 88 N GLY A 31 8.220 -11.029 7.773 1.00 0.00 N ATOM 89 CA GLY A 31 9.015 -9.825 7.966 1.00 0.00 C ATOM 90 C GLY A 31 9.570 -9.400 6.610 1.00 0.00 C ATOM 91 O GLY A 31 10.652 -9.814 6.199 1.00 0.00 O ATOM 0 H GLY A 31 7.225 -10.868 7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.404 -9.030 8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.828 -10.014 8.667 1.00 0.00 H new ATOM 95 N THR A 32 8.788 -8.572 5.919 1.00 0.00 N ATOM 96 CA THR A 32 9.035 -7.974 4.615 1.00 0.00 C ATOM 97 C THR A 32 9.127 -9.018 3.494 1.00 0.00 C ATOM 98 O THR A 32 9.301 -10.218 3.707 1.00 0.00 O ATOM 99 CB THR A 32 10.250 -7.029 4.723 1.00 0.00 C ATOM 100 OG1 THR A 32 10.324 -6.378 5.982 1.00 0.00 O ATOM 101 CG2 THR A 32 10.301 -5.907 3.670 1.00 0.00 C ATOM 0 H THR A 32 7.886 -8.279 6.294 1.00 0.00 H new ATOM 0 HA THR A 32 8.178 -7.369 4.318 1.00 0.00 H new ATOM 0 HB THR A 32 11.084 -7.712 4.565 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.110 -5.793 6.002 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.191 -5.298 3.830 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.336 -6.345 2.673 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.412 -5.282 3.761 1.00 0.00 H new ATOM 109 N TYR A 33 8.876 -8.585 2.262 1.00 0.00 N ATOM 110 CA TYR A 33 8.998 -9.381 1.051 1.00 0.00 C ATOM 111 C TYR A 33 9.173 -8.409 -0.116 1.00 0.00 C ATOM 112 O TYR A 33 8.858 -7.222 0.022 1.00 0.00 O ATOM 113 CB TYR A 33 7.787 -10.323 0.892 1.00 0.00 C ATOM 114 CG TYR A 33 6.495 -9.772 0.320 1.00 0.00 C ATOM 115 CD1 TYR A 33 5.977 -8.525 0.712 1.00 0.00 C ATOM 116 CD2 TYR A 33 5.772 -10.562 -0.587 1.00 0.00 C ATOM 117 CE1 TYR A 33 4.748 -8.056 0.227 1.00 0.00 C ATOM 118 CE2 TYR A 33 4.554 -10.095 -1.099 1.00 0.00 C ATOM 119 CZ TYR A 33 4.043 -8.841 -0.701 1.00 0.00 C ATOM 120 OH TYR A 33 2.861 -8.400 -1.194 1.00 0.00 O ATOM 0 H TYR A 33 8.570 -7.630 2.076 1.00 0.00 H new ATOM 0 HA TYR A 33 9.866 -10.039 1.090 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.098 -11.155 0.260 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.561 -10.737 1.875 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.539 -7.914 1.403 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.153 -11.526 -0.889 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.350 -7.109 0.561 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.002 -10.699 -1.804 1.00 0.00 H new ATOM 0 HH TYR A 33 2.712 -8.787 -2.082 1.00 0.00 H new ATOM 130 N ARG A 34 9.656 -8.886 -1.266 1.00 0.00 N ATOM 131 CA ARG A 34 10.059 -8.027 -2.379 1.00 0.00 C ATOM 132 C ARG A 34 9.323 -8.470 -3.621 1.00 0.00 C ATOM 133 O ARG A 34 9.447 -9.636 -3.986 1.00 0.00 O ATOM 134 CB ARG A 34 11.582 -8.106 -2.536 1.00 0.00 C ATOM 135 CG ARG A 34 12.146 -6.850 -3.198 1.00 0.00 C ATOM 136 CD ARG A 34 12.142 -6.815 -4.722 1.00 0.00 C ATOM 137 NE ARG A 34 12.914 -5.642 -5.151 1.00 0.00 N ATOM 138 CZ ARG A 34 13.476 -5.425 -6.338 1.00 0.00 C ATOM 139 NH1 ARG A 34 13.155 -6.180 -7.381 1.00 0.00 N ATOM 140 NH2 ARG A 34 14.364 -4.438 -6.434 1.00 0.00 N ATOM 0 H ARG A 34 9.778 -9.882 -1.451 1.00 0.00 H new ATOM 0 HA ARG A 34 9.801 -6.984 -2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.043 -8.240 -1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.842 -8.980 -3.133 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.579 -5.992 -2.837 1.00 0.00 H new ATOM 0 HG3 ARG A 34 13.173 -6.719 -2.858 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.580 -7.728 -5.125 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.121 -6.758 -5.099 1.00 0.00 H new ATOM 0 HE ARG A 34 13.034 -4.905 -4.456 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.474 -6.932 -7.276 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.589 -6.008 -8.288 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.594 -3.877 -5.614 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.815 -4.243 -7.328 1.00 0.00 H new ATOM 154 N VAL A 35 8.491 -7.601 -4.192 1.00 0.00 N ATOM 155 CA VAL A 35 7.433 -8.014 -5.121 1.00 0.00 C ATOM 156 C VAL A 35 7.071 -6.916 -6.109 1.00 0.00 C ATOM 157 O VAL A 35 7.497 -5.776 -5.916 1.00 0.00 O ATOM 158 CB VAL A 35 6.166 -8.393 -4.336 1.00 0.00 C ATOM 159 CG1 VAL A 35 6.410 -9.693 -3.584 1.00 0.00 C ATOM 160 CG2 VAL A 35 5.666 -7.296 -3.381 1.00 0.00 C ATOM 0 H VAL A 35 8.528 -6.595 -4.027 1.00 0.00 H new ATOM 0 HA VAL A 35 7.818 -8.868 -5.678 1.00 0.00 H new ATOM 0 HB VAL A 35 5.368 -8.520 -5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.514 -9.965 -3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.649 -10.485 -4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.242 -9.562 -2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.770 -7.642 -2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.441 -7.070 -2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.432 -6.396 -3.951 1.00 0.00 H new ATOM 170 N ASP A 36 6.222 -7.221 -7.105 1.00 0.00 N ATOM 171 CA ASP A 36 5.584 -6.211 -7.938 1.00 0.00 C ATOM 172 C ASP A 36 4.249 -5.854 -7.306 1.00 0.00 C ATOM 173 O ASP A 36 3.332 -6.671 -7.204 1.00 0.00 O ATOM 174 CB ASP A 36 5.455 -6.544 -9.438 1.00 0.00 C ATOM 175 CG ASP A 36 5.105 -7.950 -9.914 1.00 0.00 C ATOM 176 OD1 ASP A 36 5.410 -8.955 -9.238 1.00 0.00 O ATOM 177 OD2 ASP A 36 4.686 -8.080 -11.086 1.00 0.00 O ATOM 0 H ASP A 36 5.965 -8.178 -7.348 1.00 0.00 H new ATOM 0 HA ASP A 36 6.253 -5.350 -7.957 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.700 -5.873 -9.848 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.404 -6.278 -9.904 1.00 0.00 H new ATOM 183 N ILE A 37 4.177 -4.616 -6.826 1.00 0.00 N ATOM 184 CA ILE A 37 2.970 -3.996 -6.329 1.00 0.00 C ATOM 185 C ILE A 37 2.078 -3.708 -7.546 1.00 0.00 C ATOM 186 O ILE A 37 2.546 -3.235 -8.587 1.00 0.00 O ATOM 187 CB ILE A 37 3.331 -2.720 -5.533 1.00 0.00 C ATOM 188 CG1 ILE A 37 4.207 -3.042 -4.297 1.00 0.00 C ATOM 189 CG2 ILE A 37 2.063 -2.011 -5.036 1.00 0.00 C ATOM 190 CD1 ILE A 37 5.705 -2.832 -4.521 1.00 0.00 C ATOM 0 H ILE A 37 4.990 -4.002 -6.774 1.00 0.00 H new ATOM 0 HA ILE A 37 2.428 -4.643 -5.639 1.00 0.00 H new ATOM 0 HB ILE A 37 3.886 -2.077 -6.216 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.884 -2.418 -3.464 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.036 -4.078 -4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.341 -1.116 -4.479 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.445 -1.730 -5.889 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.501 -2.683 -4.387 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.248 -3.079 -3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.046 -3.476 -5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.891 -1.790 -4.783 1.00 0.00 H new ATOM 202 N TYR A 38 0.781 -3.947 -7.384 1.00 0.00 N ATOM 203 CA TYR A 38 -0.243 -3.916 -8.413 1.00 0.00 C ATOM 204 C TYR A 38 -1.496 -3.280 -7.816 1.00 0.00 C ATOM 205 O TYR A 38 -1.955 -3.704 -6.760 1.00 0.00 O ATOM 206 CB TYR A 38 -0.509 -5.359 -8.886 1.00 0.00 C ATOM 207 CG TYR A 38 0.056 -5.628 -10.260 1.00 0.00 C ATOM 208 CD1 TYR A 38 -0.717 -5.286 -11.377 1.00 0.00 C ATOM 209 CD2 TYR A 38 1.353 -6.146 -10.435 1.00 0.00 C ATOM 210 CE1 TYR A 38 -0.198 -5.423 -12.672 1.00 0.00 C ATOM 211 CE2 TYR A 38 1.878 -6.292 -11.732 1.00 0.00 C ATOM 212 CZ TYR A 38 1.109 -5.918 -12.855 1.00 0.00 C ATOM 213 OH TYR A 38 1.627 -6.013 -14.108 1.00 0.00 O ATOM 0 H TYR A 38 0.396 -4.183 -6.469 1.00 0.00 H new ATOM 0 HA TYR A 38 0.070 -3.328 -9.275 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.072 -6.058 -8.173 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.583 -5.543 -8.896 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.721 -4.914 -11.239 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.943 -6.430 -9.576 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.798 -5.150 -13.527 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.872 -6.691 -11.869 1.00 0.00 H new ATOM 0 HH TYR A 38 2.538 -6.372 -14.059 1.00 0.00 H new ATOM 223 N LEU A 39 -2.068 -2.262 -8.457 1.00 0.00 N ATOM 224 CA LEU A 39 -3.262 -1.561 -7.991 1.00 0.00 C ATOM 225 C LEU A 39 -4.272 -1.503 -9.122 1.00 0.00 C ATOM 226 O LEU A 39 -3.911 -1.143 -10.244 1.00 0.00 O ATOM 227 CB LEU A 39 -2.899 -0.156 -7.499 1.00 0.00 C ATOM 228 CG LEU A 39 -4.149 0.617 -7.012 1.00 0.00 C ATOM 229 CD1 LEU A 39 -3.979 1.101 -5.575 1.00 0.00 C ATOM 230 CD2 LEU A 39 -4.478 1.807 -7.921 1.00 0.00 C ATOM 0 H LEU A 39 -1.705 -1.893 -9.336 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.701 -2.098 -7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.176 -0.230 -6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.418 0.399 -8.304 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.982 -0.085 -7.053 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.874 1.640 -5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.825 0.245 -4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.117 1.765 -5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.362 2.321 -7.542 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.635 2.498 -7.935 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.672 1.450 -8.932 1.00 0.00 H new ATOM 242 N ASN A 40 -5.529 -1.841 -8.828 1.00 0.00 N ATOM 243 CA ASN A 40 -6.620 -1.967 -9.795 1.00 0.00 C ATOM 244 C ASN A 40 -6.172 -2.824 -10.980 1.00 0.00 C ATOM 245 O ASN A 40 -6.421 -2.495 -12.142 1.00 0.00 O ATOM 246 CB ASN A 40 -7.177 -0.585 -10.201 1.00 0.00 C ATOM 247 CG ASN A 40 -7.933 0.141 -9.097 1.00 0.00 C ATOM 248 OD1 ASN A 40 -8.218 -0.417 -8.048 1.00 0.00 O ATOM 249 ND2 ASN A 40 -8.281 1.402 -9.288 1.00 0.00 N ATOM 0 H ASN A 40 -5.826 -2.042 -7.873 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.457 -2.487 -9.329 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.350 0.043 -10.531 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.841 -0.712 -11.056 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.786 1.907 -8.560 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.044 1.870 -10.163 1.00 0.00 H new ATOM 256 N ASN A 41 -5.484 -3.933 -10.671 1.00 0.00 N ATOM 257 CA ASN A 41 -4.927 -4.897 -11.628 1.00 0.00 C ATOM 258 C ASN A 41 -3.914 -4.267 -12.611 1.00 0.00 C ATOM 259 O ASN A 41 -3.516 -4.930 -13.570 1.00 0.00 O ATOM 260 CB ASN A 41 -6.066 -5.658 -12.347 1.00 0.00 C ATOM 261 CG ASN A 41 -6.639 -6.885 -11.636 1.00 0.00 C ATOM 262 OD1 ASN A 41 -7.211 -7.747 -12.299 1.00 0.00 O ATOM 263 ND2 ASN A 41 -6.608 -6.983 -10.317 1.00 0.00 N ATOM 0 H ASN A 41 -5.293 -4.193 -9.703 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.344 -5.622 -11.060 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.882 -4.957 -12.524 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.699 -5.973 -13.324 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.058 -7.772 -9.854 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.134 -6.269 -9.764 1.00 0.00 H new ATOM 270 N GLY A 42 -3.441 -3.039 -12.374 1.00 0.00 N ATOM 271 CA GLY A 42 -2.410 -2.370 -13.162 1.00 0.00 C ATOM 272 C GLY A 42 -1.137 -2.223 -12.345 1.00 0.00 C ATOM 273 O GLY A 42 -1.189 -2.220 -11.112 1.00 0.00 O ATOM 0 H GLY A 42 -3.780 -2.467 -11.601 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.206 -2.942 -14.067 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.763 -1.388 -13.478 1.00 0.00 H new ATOM 277 N TYR A 43 0.007 -2.146 -13.016 1.00 0.00 N ATOM 278 CA TYR A 43 1.297 -2.181 -12.343 1.00 0.00 C ATOM 279 C TYR A 43 1.560 -0.864 -11.620 1.00 0.00 C ATOM 280 O TYR A 43 1.115 0.197 -12.061 1.00 0.00 O ATOM 281 CB TYR A 43 2.400 -2.468 -13.367 1.00 0.00 C ATOM 282 CG TYR A 43 3.805 -2.473 -12.795 1.00 0.00 C ATOM 283 CD1 TYR A 43 4.122 -3.284 -11.686 1.00 0.00 C ATOM 284 CD2 TYR A 43 4.787 -1.637 -13.358 1.00 0.00 C ATOM 285 CE1 TYR A 43 5.418 -3.259 -11.144 1.00 0.00 C ATOM 286 CE2 TYR A 43 6.091 -1.635 -12.834 1.00 0.00 C ATOM 287 CZ TYR A 43 6.414 -2.452 -11.734 1.00 0.00 C ATOM 288 OH TYR A 43 7.683 -2.447 -11.247 1.00 0.00 O ATOM 0 H TYR A 43 0.065 -2.059 -14.031 1.00 0.00 H new ATOM 0 HA TYR A 43 1.290 -2.976 -11.597 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.206 -3.436 -13.829 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.346 -1.721 -14.159 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.368 -3.925 -11.253 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.539 -0.997 -14.192 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.652 -3.857 -10.276 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.848 -1.005 -13.277 1.00 0.00 H new ATOM 0 HH TYR A 43 8.234 -1.834 -11.777 1.00 0.00 H new ATOM 298 N MET A 44 2.336 -0.936 -10.538 1.00 0.00 N ATOM 299 CA MET A 44 2.781 0.225 -9.793 1.00 0.00 C ATOM 300 C MET A 44 4.299 0.284 -9.794 1.00 0.00 C ATOM 301 O MET A 44 4.875 1.035 -10.585 1.00 0.00 O ATOM 302 CB MET A 44 2.141 0.228 -8.390 1.00 0.00 C ATOM 303 CG MET A 44 0.666 0.621 -8.489 1.00 0.00 C ATOM 304 SD MET A 44 0.500 2.265 -9.210 1.00 0.00 S ATOM 305 CE MET A 44 -0.988 2.037 -10.189 1.00 0.00 C ATOM 0 H MET A 44 2.674 -1.819 -10.155 1.00 0.00 H new ATOM 0 HA MET A 44 2.445 1.145 -10.271 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.233 -0.759 -7.937 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.669 0.927 -7.742 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.130 -0.106 -9.099 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.211 0.604 -7.499 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.978 2.727 -11.033 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.027 1.012 -10.559 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.864 2.233 -9.571 1.00 0.00 H new ATOM 315 N ALA A 45 4.948 -0.463 -8.910 1.00 0.00 N ATOM 316 CA ALA A 45 6.403 -0.507 -8.771 1.00 0.00 C ATOM 317 C ALA A 45 6.820 -1.872 -8.228 1.00 0.00 C ATOM 318 O ALA A 45 5.959 -2.658 -7.832 1.00 0.00 O ATOM 319 CB ALA A 45 6.871 0.610 -7.828 1.00 0.00 C ATOM 0 H ALA A 45 4.466 -1.073 -8.250 1.00 0.00 H new ATOM 0 HA ALA A 45 6.867 -0.355 -9.745 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.956 0.572 -7.729 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.578 1.577 -8.236 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.412 0.475 -6.849 1.00 0.00 H new ATOM 325 N THR A 46 8.124 -2.132 -8.155 1.00 0.00 N ATOM 326 CA THR A 46 8.674 -3.349 -7.572 1.00 0.00 C ATOM 327 C THR A 46 9.646 -2.931 -6.473 1.00 0.00 C ATOM 328 O THR A 46 10.719 -2.408 -6.768 1.00 0.00 O ATOM 329 CB THR A 46 9.322 -4.222 -8.663 1.00 0.00 C ATOM 330 OG1 THR A 46 8.374 -4.511 -9.675 1.00 0.00 O ATOM 331 CG2 THR A 46 9.866 -5.555 -8.146 1.00 0.00 C ATOM 0 H THR A 46 8.837 -1.492 -8.505 1.00 0.00 H new ATOM 0 HA THR A 46 7.896 -3.969 -7.128 1.00 0.00 H new ATOM 0 HB THR A 46 10.162 -3.640 -9.043 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.341 -3.769 -10.314 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.307 -6.113 -8.972 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.627 -5.368 -7.388 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.053 -6.135 -7.709 1.00 0.00 H new ATOM 339 N ARG A 47 9.245 -3.063 -5.207 1.00 0.00 N ATOM 340 CA ARG A 47 10.004 -2.648 -4.031 1.00 0.00 C ATOM 341 C ARG A 47 9.919 -3.740 -2.968 1.00 0.00 C ATOM 342 O ARG A 47 9.166 -4.708 -3.116 1.00 0.00 O ATOM 343 CB ARG A 47 9.447 -1.318 -3.480 1.00 0.00 C ATOM 344 CG ARG A 47 9.501 -0.129 -4.455 1.00 0.00 C ATOM 345 CD ARG A 47 10.936 0.293 -4.805 1.00 0.00 C ATOM 346 NE ARG A 47 11.183 0.288 -6.257 1.00 0.00 N ATOM 347 CZ ARG A 47 11.180 1.318 -7.112 1.00 0.00 C ATOM 348 NH1 ARG A 47 11.135 2.572 -6.685 1.00 0.00 N ATOM 349 NH2 ARG A 47 11.222 1.066 -8.410 1.00 0.00 N ATOM 0 H ARG A 47 8.346 -3.479 -4.966 1.00 0.00 H new ATOM 0 HA ARG A 47 11.047 -2.494 -4.307 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.411 -1.474 -3.180 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.004 -1.055 -2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.972 -0.392 -5.371 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.975 0.719 -4.016 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.125 1.291 -4.410 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.640 -0.381 -4.317 1.00 0.00 H new ATOM 0 HE ARG A 47 11.384 -0.624 -6.667 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.102 2.769 -5.685 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.134 3.340 -7.357 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.256 0.102 -8.742 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.221 1.836 -9.079 1.00 0.00 H new ATOM 363 N ASP A 48 10.697 -3.581 -1.902 1.00 0.00 N ATOM 364 CA ASP A 48 10.514 -4.285 -0.634 1.00 0.00 C ATOM 365 C ASP A 48 9.276 -3.678 0.028 1.00 0.00 C ATOM 366 O ASP A 48 9.041 -2.474 -0.105 1.00 0.00 O ATOM 367 CB ASP A 48 11.767 -4.198 0.255 1.00 0.00 C ATOM 368 CG ASP A 48 13.002 -4.772 -0.453 1.00 0.00 C ATOM 369 OD1 ASP A 48 13.658 -3.991 -1.188 1.00 0.00 O ATOM 370 OD2 ASP A 48 13.226 -6.004 -0.374 1.00 0.00 O ATOM 0 H ASP A 48 11.493 -2.943 -1.894 1.00 0.00 H new ATOM 0 HA ASP A 48 10.366 -5.352 -0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.952 -3.158 0.524 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.594 -4.742 1.184 1.00 0.00 H new ATOM 376 N VAL A 49 8.462 -4.493 0.697 1.00 0.00 N ATOM 377 CA VAL A 49 7.192 -4.109 1.308 1.00 0.00 C ATOM 378 C VAL A 49 7.089 -4.879 2.623 1.00 0.00 C ATOM 379 O VAL A 49 7.182 -6.105 2.645 1.00 0.00 O ATOM 380 CB VAL A 49 6.007 -4.440 0.367 1.00 0.00 C ATOM 381 CG1 VAL A 49 4.663 -3.891 0.888 1.00 0.00 C ATOM 382 CG2 VAL A 49 6.193 -3.917 -1.064 1.00 0.00 C ATOM 0 H VAL A 49 8.679 -5.480 0.833 1.00 0.00 H new ATOM 0 HA VAL A 49 7.152 -3.035 1.489 1.00 0.00 H new ATOM 0 HB VAL A 49 5.989 -5.530 0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.868 -4.152 0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.446 -4.326 1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.724 -2.807 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.325 -4.186 -1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.299 -2.832 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.088 -4.361 -1.500 1.00 0.00 H new ATOM 392 N THR A 50 6.914 -4.184 3.734 1.00 0.00 N ATOM 393 CA THR A 50 6.679 -4.767 5.049 1.00 0.00 C ATOM 394 C THR A 50 5.171 -4.987 5.160 1.00 0.00 C ATOM 395 O THR A 50 4.385 -4.171 4.675 1.00 0.00 O ATOM 396 CB THR A 50 7.234 -3.797 6.108 1.00 0.00 C ATOM 397 OG1 THR A 50 8.575 -3.501 5.777 1.00 0.00 O ATOM 398 CG2 THR A 50 7.203 -4.392 7.513 1.00 0.00 C ATOM 0 H THR A 50 6.932 -3.164 3.749 1.00 0.00 H new ATOM 0 HA THR A 50 7.181 -5.723 5.202 1.00 0.00 H new ATOM 0 HB THR A 50 6.608 -2.905 6.110 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.947 -2.882 6.440 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.605 -3.669 8.223 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.175 -4.633 7.783 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.807 -5.299 7.537 1.00 0.00 H new ATOM 406 N PHE A 51 4.738 -6.111 5.736 1.00 0.00 N ATOM 407 CA PHE A 51 3.341 -6.426 5.966 1.00 0.00 C ATOM 408 C PHE A 51 3.283 -7.227 7.257 1.00 0.00 C ATOM 409 O PHE A 51 4.013 -8.211 7.389 1.00 0.00 O ATOM 410 CB PHE A 51 2.717 -7.193 4.783 1.00 0.00 C ATOM 411 CG PHE A 51 3.432 -8.452 4.361 1.00 0.00 C ATOM 412 CD1 PHE A 51 4.741 -8.390 3.856 1.00 0.00 C ATOM 413 CD2 PHE A 51 2.787 -9.689 4.493 1.00 0.00 C ATOM 414 CE1 PHE A 51 5.444 -9.573 3.604 1.00 0.00 C ATOM 415 CE2 PHE A 51 3.484 -10.874 4.207 1.00 0.00 C ATOM 416 CZ PHE A 51 4.814 -10.809 3.780 1.00 0.00 C ATOM 0 H PHE A 51 5.372 -6.841 6.061 1.00 0.00 H new ATOM 0 HA PHE A 51 2.752 -5.513 6.053 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.691 -7.452 5.044 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.668 -6.522 3.926 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.203 -7.433 3.663 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.757 -9.731 4.814 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.472 -9.532 3.274 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.995 -11.831 4.316 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.359 -11.721 3.585 1.00 0.00 H new ATOM 426 N ASN A 52 2.528 -6.760 8.240 1.00 0.00 N ATOM 427 CA ASN A 52 2.385 -7.357 9.569 1.00 0.00 C ATOM 428 C ASN A 52 0.895 -7.490 9.858 1.00 0.00 C ATOM 429 O ASN A 52 0.064 -7.024 9.082 1.00 0.00 O ATOM 430 CB ASN A 52 3.100 -6.573 10.693 1.00 0.00 C ATOM 431 CG ASN A 52 3.206 -5.080 10.477 1.00 0.00 C ATOM 432 OD1 ASN A 52 2.410 -4.306 11.004 1.00 0.00 O ATOM 433 ND2 ASN A 52 4.184 -4.648 9.699 1.00 0.00 N ATOM 0 H ASN A 52 1.969 -5.913 8.132 1.00 0.00 H new ATOM 0 HA ASN A 52 2.876 -8.330 9.558 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.571 -6.751 11.630 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.105 -6.978 10.812 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.292 -3.649 9.523 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.830 -5.314 9.275 1.00 0.00 H new ATOM 440 N THR A 53 0.562 -8.185 10.938 1.00 0.00 N ATOM 441 CA THR A 53 -0.789 -8.498 11.373 1.00 0.00 C ATOM 442 C THR A 53 -1.631 -7.216 11.503 1.00 0.00 C ATOM 443 O THR A 53 -1.176 -6.225 12.079 1.00 0.00 O ATOM 444 CB THR A 53 -0.718 -9.334 12.676 1.00 0.00 C ATOM 445 OG1 THR A 53 0.575 -9.289 13.278 1.00 0.00 O ATOM 446 CG2 THR A 53 -1.007 -10.804 12.368 1.00 0.00 C ATOM 0 H THR A 53 1.268 -8.566 11.568 1.00 0.00 H new ATOM 0 HA THR A 53 -1.300 -9.105 10.626 1.00 0.00 H new ATOM 0 HB THR A 53 -1.454 -8.906 13.356 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.574 -9.828 14.097 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.955 -11.386 13.288 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.003 -10.896 11.936 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.268 -11.179 11.660 1.00 0.00 H new ATOM 454 N GLY A 54 -2.844 -7.227 10.948 1.00 0.00 N ATOM 455 CA GLY A 54 -3.795 -6.129 10.938 1.00 0.00 C ATOM 456 C GLY A 54 -5.203 -6.705 10.838 1.00 0.00 C ATOM 457 O GLY A 54 -5.798 -6.953 11.889 1.00 0.00 O ATOM 0 H GLY A 54 -3.203 -8.052 10.468 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.694 -5.533 11.845 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.597 -5.465 10.096 1.00 0.00 H new ATOM 461 N ASP A 55 -5.720 -6.925 9.623 1.00 0.00 N ATOM 462 CA ASP A 55 -7.013 -7.558 9.336 1.00 0.00 C ATOM 463 C ASP A 55 -7.123 -7.877 7.828 1.00 0.00 C ATOM 464 O ASP A 55 -7.320 -6.957 7.029 1.00 0.00 O ATOM 465 CB ASP A 55 -8.154 -6.615 9.768 1.00 0.00 C ATOM 466 CG ASP A 55 -9.525 -7.046 9.242 1.00 0.00 C ATOM 467 OD1 ASP A 55 -10.251 -6.170 8.699 1.00 0.00 O ATOM 468 OD2 ASP A 55 -9.841 -8.256 9.317 1.00 0.00 O ATOM 0 H ASP A 55 -5.225 -6.654 8.773 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.091 -8.491 9.894 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.187 -6.571 10.857 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.937 -5.607 9.414 1.00 0.00 H new ATOM 474 N SER A 56 -6.985 -9.144 7.404 1.00 0.00 N ATOM 475 CA SER A 56 -7.201 -9.553 6.007 1.00 0.00 C ATOM 476 C SER A 56 -7.564 -11.045 5.876 1.00 0.00 C ATOM 477 O SER A 56 -7.750 -11.732 6.883 1.00 0.00 O ATOM 478 CB SER A 56 -5.978 -9.178 5.147 1.00 0.00 C ATOM 479 OG SER A 56 -4.923 -10.118 5.271 1.00 0.00 O ATOM 0 H SER A 56 -6.721 -9.913 8.020 1.00 0.00 H new ATOM 0 HA SER A 56 -8.065 -9.005 5.631 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.279 -9.109 4.102 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.619 -8.192 5.441 1.00 0.00 H new ATOM 0 HG SER A 56 -4.076 -9.643 5.403 1.00 0.00 H new ATOM 485 N GLU A 57 -7.592 -11.582 4.647 1.00 0.00 N ATOM 486 CA GLU A 57 -7.643 -13.022 4.364 1.00 0.00 C ATOM 487 C GLU A 57 -6.519 -13.781 5.088 1.00 0.00 C ATOM 488 O GLU A 57 -6.699 -14.939 5.474 1.00 0.00 O ATOM 489 CB GLU A 57 -7.494 -13.254 2.850 1.00 0.00 C ATOM 490 CG GLU A 57 -7.679 -14.723 2.438 1.00 0.00 C ATOM 491 CD GLU A 57 -7.296 -15.050 0.987 1.00 0.00 C ATOM 492 OE1 GLU A 57 -6.813 -14.175 0.227 1.00 0.00 O ATOM 493 OE2 GLU A 57 -7.407 -16.242 0.617 1.00 0.00 O ATOM 0 H GLU A 57 -7.579 -11.011 3.802 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.603 -13.396 4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.225 -12.641 2.322 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.507 -12.917 2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.083 -15.348 3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.722 -14.998 2.592 1.00 0.00 H new ATOM 501 N GLN A 58 -5.354 -13.153 5.259 1.00 0.00 N ATOM 502 CA GLN A 58 -4.202 -13.731 5.934 1.00 0.00 C ATOM 503 C GLN A 58 -3.916 -13.008 7.257 1.00 0.00 C ATOM 504 O GLN A 58 -2.841 -13.196 7.817 1.00 0.00 O ATOM 505 CB GLN A 58 -2.983 -13.790 4.987 1.00 0.00 C ATOM 506 CG GLN A 58 -3.050 -14.985 4.019 1.00 0.00 C ATOM 507 CD GLN A 58 -3.490 -14.629 2.606 1.00 0.00 C ATOM 508 OE1 GLN A 58 -4.520 -15.107 2.144 1.00 0.00 O ATOM 509 NE2 GLN A 58 -2.719 -13.852 1.863 1.00 0.00 N ATOM 0 H GLN A 58 -5.187 -12.205 4.922 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.430 -14.763 6.201 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.926 -12.864 4.414 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.070 -13.855 5.578 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.067 -15.454 3.973 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.738 -15.727 4.424 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.864 -13.458 2.255 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.980 -13.647 0.899 1.00 0.00 H new ATOM 518 N GLY A 59 -4.807 -12.146 7.751 1.00 0.00 N ATOM 519 CA GLY A 59 -4.571 -11.328 8.939 1.00 0.00 C ATOM 520 C GLY A 59 -3.573 -10.200 8.665 1.00 0.00 C ATOM 521 O GLY A 59 -3.794 -9.071 9.082 1.00 0.00 O ATOM 0 H GLY A 59 -5.724 -11.996 7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.515 -10.903 9.281 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.195 -11.958 9.745 1.00 0.00 H new ATOM 525 N ILE A 60 -2.504 -10.460 7.917 1.00 0.00 N ATOM 526 CA ILE A 60 -1.433 -9.523 7.620 1.00 0.00 C ATOM 527 C ILE A 60 -1.860 -8.554 6.524 1.00 0.00 C ATOM 528 O ILE A 60 -2.635 -8.901 5.630 1.00 0.00 O ATOM 529 CB ILE A 60 -0.145 -10.279 7.207 1.00 0.00 C ATOM 530 CG1 ILE A 60 -0.410 -11.599 6.447 1.00 0.00 C ATOM 531 CG2 ILE A 60 0.711 -10.586 8.443 1.00 0.00 C ATOM 532 CD1 ILE A 60 0.792 -12.122 5.671 1.00 0.00 C ATOM 0 H ILE A 60 -2.358 -11.372 7.484 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.219 -8.950 8.522 1.00 0.00 H new ATOM 0 HB ILE A 60 0.379 -9.612 6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.727 -12.359 7.161 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.238 -11.447 5.754 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.613 -11.117 8.138 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.988 -9.653 8.935 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.141 -11.206 9.135 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.524 -13.050 5.166 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.097 -11.382 4.931 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.616 -12.309 6.359 1.00 0.00 H new ATOM 544 N VAL A 61 -1.319 -7.344 6.581 1.00 0.00 N ATOM 545 CA VAL A 61 -1.623 -6.206 5.724 1.00 0.00 C ATOM 546 C VAL A 61 -0.310 -5.458 5.474 1.00 0.00 C ATOM 547 O VAL A 61 0.517 -5.427 6.383 1.00 0.00 O ATOM 548 CB VAL A 61 -2.634 -5.287 6.444 1.00 0.00 C ATOM 549 CG1 VAL A 61 -4.031 -5.922 6.497 1.00 0.00 C ATOM 550 CG2 VAL A 61 -2.201 -4.911 7.876 1.00 0.00 C ATOM 0 H VAL A 61 -0.607 -7.116 7.275 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.059 -6.527 4.778 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.664 -4.373 5.851 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.717 -5.249 7.010 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.388 -6.101 5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.980 -6.868 7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.954 -4.264 8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.096 -5.816 8.474 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.246 -4.386 7.841 1.00 0.00 H new ATOM 560 N PRO A 62 -0.072 -4.859 4.295 1.00 0.00 N ATOM 561 CA PRO A 62 1.142 -4.099 4.029 1.00 0.00 C ATOM 562 C PRO A 62 1.169 -2.765 4.773 1.00 0.00 C ATOM 563 O PRO A 62 0.130 -2.209 5.135 1.00 0.00 O ATOM 564 CB PRO A 62 1.184 -3.925 2.509 1.00 0.00 C ATOM 565 CG PRO A 62 -0.300 -3.905 2.144 1.00 0.00 C ATOM 566 CD PRO A 62 -0.873 -4.948 3.090 1.00 0.00 C ATOM 0 HA PRO A 62 2.027 -4.621 4.392 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.687 -3.003 2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.712 -4.744 2.020 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -0.746 -2.923 2.302 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -0.467 -4.167 1.099 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.924 -4.751 3.302 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.817 -5.946 2.655 1.00 0.00 H new ATOM 574 N CYS A 63 2.375 -2.232 4.962 1.00 0.00 N ATOM 575 CA CYS A 63 2.640 -0.855 5.336 1.00 0.00 C ATOM 576 C CYS A 63 2.500 -0.023 4.072 1.00 0.00 C ATOM 577 O CYS A 63 3.373 -0.071 3.205 1.00 0.00 O ATOM 578 CB CYS A 63 4.059 -0.713 5.884 1.00 0.00 C ATOM 579 SG CYS A 63 4.543 1.005 6.219 1.00 0.00 S ATOM 0 H CYS A 63 3.229 -2.778 4.852 1.00 0.00 H new ATOM 0 HA CYS A 63 1.947 -0.528 6.111 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.143 -1.291 6.804 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.760 -1.146 5.170 1.00 0.00 H new ATOM 0 HG CYS A 63 5.758 1.031 6.682 1.00 0.00 H new ATOM 585 N LEU A 64 1.416 0.737 3.945 1.00 0.00 N ATOM 586 CA LEU A 64 1.214 1.634 2.815 1.00 0.00 C ATOM 587 C LEU A 64 1.119 3.034 3.387 1.00 0.00 C ATOM 588 O LEU A 64 0.155 3.354 4.079 1.00 0.00 O ATOM 589 CB LEU A 64 -0.029 1.248 2.003 1.00 0.00 C ATOM 590 CG LEU A 64 -0.020 -0.191 1.460 1.00 0.00 C ATOM 591 CD1 LEU A 64 -1.281 -0.451 0.630 1.00 0.00 C ATOM 592 CD2 LEU A 64 1.194 -0.471 0.571 1.00 0.00 C ATOM 0 H LEU A 64 0.654 0.747 4.623 1.00 0.00 H new ATOM 0 HA LEU A 64 2.043 1.570 2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.911 1.380 2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.127 1.938 1.165 1.00 0.00 H new ATOM 0 HG LEU A 64 0.020 -0.849 2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.263 -1.473 0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.163 -0.311 1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.315 0.246 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.153 -1.500 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.186 0.210 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.108 -0.323 1.146 1.00 0.00 H new ATOM 604 N THR A 65 2.158 3.844 3.208 1.00 0.00 N ATOM 605 CA THR A 65 2.200 5.170 3.804 1.00 0.00 C ATOM 606 C THR A 65 1.462 6.167 2.912 1.00 0.00 C ATOM 607 O THR A 65 1.076 5.826 1.792 1.00 0.00 O ATOM 608 CB THR A 65 3.655 5.539 4.117 1.00 0.00 C ATOM 609 OG1 THR A 65 4.425 5.649 2.936 1.00 0.00 O ATOM 610 CG2 THR A 65 4.254 4.488 5.055 1.00 0.00 C ATOM 0 H THR A 65 2.980 3.603 2.655 1.00 0.00 H new ATOM 0 HA THR A 65 1.672 5.192 4.757 1.00 0.00 H new ATOM 0 HB THR A 65 3.670 6.513 4.606 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.974 4.844 2.827 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.289 4.748 5.279 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.679 4.456 5.980 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.222 3.510 4.574 1.00 0.00 H new ATOM 618 N ARG A 66 1.242 7.405 3.369 1.00 0.00 N ATOM 619 CA ARG A 66 0.505 8.380 2.556 1.00 0.00 C ATOM 620 C ARG A 66 1.238 8.642 1.248 1.00 0.00 C ATOM 621 O ARG A 66 0.611 8.669 0.188 1.00 0.00 O ATOM 622 CB ARG A 66 0.330 9.706 3.311 1.00 0.00 C ATOM 623 CG ARG A 66 -0.487 9.569 4.601 1.00 0.00 C ATOM 624 CD ARG A 66 -0.846 10.948 5.167 1.00 0.00 C ATOM 625 NE ARG A 66 0.355 11.675 5.589 1.00 0.00 N ATOM 626 CZ ARG A 66 0.554 12.993 5.640 1.00 0.00 C ATOM 627 NH1 ARG A 66 -0.458 13.836 5.476 1.00 0.00 N ATOM 628 NH2 ARG A 66 1.785 13.450 5.841 1.00 0.00 N ATOM 0 H ARG A 66 1.555 7.751 4.276 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.479 7.960 2.346 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.313 10.110 3.553 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.158 10.427 2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.398 9.004 4.402 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.083 9.005 5.339 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.379 11.527 4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.521 10.832 6.015 1.00 0.00 H new ATOM 0 HE ARG A 66 1.142 11.097 5.882 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.398 13.478 5.309 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.295 14.842 5.517 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.560 12.796 5.953 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.955 14.455 5.883 1.00 0.00 H new ATOM 642 N ALA A 67 2.561 8.801 1.336 1.00 0.00 N ATOM 643 CA ALA A 67 3.416 8.961 0.177 1.00 0.00 C ATOM 644 C ALA A 67 3.252 7.778 -0.763 1.00 0.00 C ATOM 645 O ALA A 67 3.147 7.970 -1.976 1.00 0.00 O ATOM 646 CB ALA A 67 4.873 9.067 0.613 1.00 0.00 C ATOM 0 H ALA A 67 3.064 8.821 2.223 1.00 0.00 H new ATOM 0 HA ALA A 67 3.129 9.874 -0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.508 9.187 -0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.995 9.929 1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.160 8.161 1.147 1.00 0.00 H new ATOM 652 N GLN A 68 3.268 6.553 -0.227 1.00 0.00 N ATOM 653 CA GLN A 68 3.199 5.373 -1.066 1.00 0.00 C ATOM 654 C GLN A 68 1.845 5.269 -1.740 1.00 0.00 C ATOM 655 O GLN A 68 1.806 5.155 -2.961 1.00 0.00 O ATOM 656 CB GLN A 68 3.600 4.094 -0.306 1.00 0.00 C ATOM 657 CG GLN A 68 4.555 3.256 -1.169 1.00 0.00 C ATOM 658 CD GLN A 68 5.794 4.055 -1.563 1.00 0.00 C ATOM 659 OE1 GLN A 68 5.946 4.467 -2.712 1.00 0.00 O ATOM 660 NE2 GLN A 68 6.590 4.441 -0.589 1.00 0.00 N ATOM 0 H GLN A 68 3.328 6.363 0.773 1.00 0.00 H new ATOM 0 HA GLN A 68 3.939 5.480 -1.859 1.00 0.00 H new ATOM 0 HB2 GLN A 68 4.081 4.355 0.637 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.712 3.512 -0.060 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.855 2.363 -0.621 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.036 2.919 -2.067 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.447 4.088 0.357 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.350 5.094 -0.780 1.00 0.00 H new ATOM 669 N LEU A 69 0.752 5.379 -0.983 1.00 0.00 N ATOM 670 CA LEU A 69 -0.601 5.252 -1.507 1.00 0.00 C ATOM 671 C LEU A 69 -0.827 6.199 -2.680 1.00 0.00 C ATOM 672 O LEU A 69 -1.311 5.793 -3.741 1.00 0.00 O ATOM 673 CB LEU A 69 -1.646 5.513 -0.415 1.00 0.00 C ATOM 674 CG LEU A 69 -1.728 4.418 0.664 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.655 4.899 1.777 1.00 0.00 C ATOM 676 CD2 LEU A 69 -2.281 3.112 0.078 1.00 0.00 C ATOM 0 H LEU A 69 0.786 5.561 0.020 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.717 4.227 -1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.420 6.464 0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.625 5.618 -0.884 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.727 4.226 1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.723 4.133 2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.258 5.817 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.647 5.091 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.329 2.354 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.280 3.286 -0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.627 2.767 -0.722 1.00 0.00 H new ATOM 688 N ALA A 70 -0.449 7.463 -2.509 1.00 0.00 N ATOM 689 CA ALA A 70 -0.573 8.469 -3.548 1.00 0.00 C ATOM 690 C ALA A 70 0.324 8.193 -4.752 1.00 0.00 C ATOM 691 O ALA A 70 0.014 8.653 -5.848 1.00 0.00 O ATOM 692 CB ALA A 70 -0.224 9.812 -2.945 1.00 0.00 C ATOM 0 H ALA A 70 -0.047 7.815 -1.640 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.598 8.453 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.310 10.586 -3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.908 10.032 -2.126 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.798 9.787 -2.567 1.00 0.00 H new ATOM 698 N SER A 71 1.392 7.411 -4.594 1.00 0.00 N ATOM 699 CA SER A 71 2.224 6.932 -5.689 1.00 0.00 C ATOM 700 C SER A 71 1.502 5.867 -6.527 1.00 0.00 C ATOM 701 O SER A 71 1.977 5.544 -7.613 1.00 0.00 O ATOM 702 CB SER A 71 3.547 6.403 -5.114 1.00 0.00 C ATOM 703 OG SER A 71 4.658 6.906 -5.829 1.00 0.00 O ATOM 0 H SER A 71 1.707 7.088 -3.679 1.00 0.00 H new ATOM 0 HA SER A 71 2.435 7.760 -6.366 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.629 6.687 -4.065 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.552 5.314 -5.151 1.00 0.00 H new ATOM 0 HG SER A 71 5.485 6.553 -5.439 1.00 0.00 H new ATOM 709 N MET A 72 0.370 5.314 -6.067 1.00 0.00 N ATOM 710 CA MET A 72 -0.558 4.553 -6.906 1.00 0.00 C ATOM 711 C MET A 72 -1.793 5.362 -7.300 1.00 0.00 C ATOM 712 O MET A 72 -2.706 4.841 -7.934 1.00 0.00 O ATOM 713 CB MET A 72 -1.012 3.258 -6.235 1.00 0.00 C ATOM 714 CG MET A 72 0.047 2.437 -5.514 1.00 0.00 C ATOM 715 SD MET A 72 0.218 2.682 -3.743 1.00 0.00 S ATOM 716 CE MET A 72 1.885 2.040 -3.490 1.00 0.00 C ATOM 0 H MET A 72 0.073 5.385 -5.094 1.00 0.00 H new ATOM 0 HA MET A 72 0.006 4.312 -7.807 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.793 3.506 -5.517 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.468 2.626 -6.996 1.00 0.00 H new ATOM 0 HG2 MET A 72 -0.167 1.383 -5.689 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.011 2.648 -5.978 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.027 1.802 -2.436 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.022 1.138 -4.087 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.614 2.791 -3.794 1.00 0.00 H new ATOM 726 N GLY A 73 -1.852 6.622 -6.891 1.00 0.00 N ATOM 727 CA GLY A 73 -2.837 7.576 -7.381 1.00 0.00 C ATOM 728 C GLY A 73 -4.036 7.718 -6.452 1.00 0.00 C ATOM 729 O GLY A 73 -5.127 8.064 -6.908 1.00 0.00 O ATOM 0 H GLY A 73 -1.210 7.015 -6.202 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.362 8.549 -7.505 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.182 7.261 -8.366 1.00 0.00 H new ATOM 733 N LEU A 74 -3.853 7.431 -5.162 1.00 0.00 N ATOM 734 CA LEU A 74 -4.860 7.563 -4.115 1.00 0.00 C ATOM 735 C LEU A 74 -4.824 8.953 -3.489 1.00 0.00 C ATOM 736 O LEU A 74 -3.777 9.468 -3.102 1.00 0.00 O ATOM 737 CB LEU A 74 -4.571 6.482 -3.085 1.00 0.00 C ATOM 738 CG LEU A 74 -5.356 6.463 -1.768 1.00 0.00 C ATOM 739 CD1 LEU A 74 -4.777 7.387 -0.688 1.00 0.00 C ATOM 740 CD2 LEU A 74 -6.866 6.625 -1.836 1.00 0.00 C ATOM 0 H LEU A 74 -2.961 7.086 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.862 7.441 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.725 5.519 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.512 6.546 -2.833 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.206 5.423 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.386 7.319 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.755 7.084 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.778 8.415 -1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.281 6.591 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.109 7.583 -2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.292 5.818 -2.431 1.00 0.00 H new ATOM 752 N ASN A 75 -6.008 9.538 -3.351 1.00 0.00 N ATOM 753 CA ASN A 75 -6.243 10.867 -2.822 1.00 0.00 C ATOM 754 C ASN A 75 -6.220 10.829 -1.300 1.00 0.00 C ATOM 755 O ASN A 75 -7.241 10.576 -0.655 1.00 0.00 O ATOM 756 CB ASN A 75 -7.584 11.356 -3.380 1.00 0.00 C ATOM 757 CG ASN A 75 -7.890 12.826 -3.167 1.00 0.00 C ATOM 758 OD1 ASN A 75 -7.410 13.468 -2.239 1.00 0.00 O ATOM 759 ND2 ASN A 75 -8.648 13.393 -4.090 1.00 0.00 N ATOM 0 H ASN A 75 -6.873 9.069 -3.621 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.462 11.564 -3.125 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.607 11.151 -4.450 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.381 10.768 -2.925 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.848 14.392 -4.042 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.033 12.831 -4.850 1.00 0.00 H new ATOM 766 N THR A 76 -5.056 11.078 -0.698 1.00 0.00 N ATOM 767 CA THR A 76 -4.924 11.143 0.759 1.00 0.00 C ATOM 768 C THR A 76 -5.808 12.251 1.347 1.00 0.00 C ATOM 769 O THR A 76 -6.205 12.183 2.510 1.00 0.00 O ATOM 770 CB THR A 76 -3.443 11.316 1.149 1.00 0.00 C ATOM 771 OG1 THR A 76 -3.004 12.623 0.847 1.00 0.00 O ATOM 772 CG2 THR A 76 -2.512 10.338 0.416 1.00 0.00 C ATOM 0 H THR A 76 -4.184 11.239 -1.202 1.00 0.00 H new ATOM 0 HA THR A 76 -5.275 10.203 1.186 1.00 0.00 H new ATOM 0 HB THR A 76 -3.393 11.115 2.219 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.040 12.691 1.011 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.483 10.509 0.732 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.800 9.314 0.654 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.592 10.496 -0.659 1.00 0.00 H new ATOM 780 N ALA A 77 -6.175 13.243 0.528 1.00 0.00 N ATOM 781 CA ALA A 77 -7.050 14.330 0.903 1.00 0.00 C ATOM 782 C ALA A 77 -8.532 13.990 0.690 1.00 0.00 C ATOM 783 O ALA A 77 -9.367 14.871 0.892 1.00 0.00 O ATOM 784 CB ALA A 77 -6.604 15.612 0.189 1.00 0.00 C ATOM 0 H ALA A 77 -5.856 13.302 -0.439 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.964 14.501 1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.263 16.433 0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.581 15.852 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.651 15.463 -0.890 1.00 0.00 H new ATOM 790 N SER A 78 -8.871 12.752 0.315 1.00 0.00 N ATOM 791 CA SER A 78 -10.231 12.228 0.251 1.00 0.00 C ATOM 792 C SER A 78 -10.513 11.279 1.409 1.00 0.00 C ATOM 793 O SER A 78 -11.611 11.332 1.962 1.00 0.00 O ATOM 794 CB SER A 78 -10.453 11.479 -1.072 1.00 0.00 C ATOM 795 OG SER A 78 -10.980 12.342 -2.054 1.00 0.00 O ATOM 0 H SER A 78 -8.173 12.062 0.037 1.00 0.00 H new ATOM 0 HA SER A 78 -10.912 13.077 0.316 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.509 11.058 -1.420 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.135 10.644 -0.912 1.00 0.00 H new ATOM 0 HG SER A 78 -11.112 11.846 -2.889 1.00 0.00 H new ATOM 801 N VAL A 79 -9.589 10.375 1.747 1.00 0.00 N ATOM 802 CA VAL A 79 -9.904 9.266 2.640 1.00 0.00 C ATOM 803 C VAL A 79 -9.886 9.736 4.089 1.00 0.00 C ATOM 804 O VAL A 79 -8.847 9.776 4.750 1.00 0.00 O ATOM 805 CB VAL A 79 -9.022 8.042 2.393 1.00 0.00 C ATOM 806 CG1 VAL A 79 -9.092 7.564 0.941 1.00 0.00 C ATOM 807 CG2 VAL A 79 -7.551 8.223 2.754 1.00 0.00 C ATOM 0 H VAL A 79 -8.624 10.392 1.416 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.916 8.928 2.417 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.441 7.297 3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.449 6.693 0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.120 7.296 0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.757 8.362 0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.009 7.301 2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.129 9.036 2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.463 8.461 3.814 1.00 0.00 H new ATOM 817 N ALA A 80 -11.059 10.149 4.548 1.00 0.00 N ATOM 818 CA ALA A 80 -11.327 10.826 5.792 1.00 0.00 C ATOM 819 C ALA A 80 -10.112 11.626 6.301 1.00 0.00 C ATOM 820 O ALA A 80 -9.591 12.507 5.602 1.00 0.00 O ATOM 821 CB ALA A 80 -11.903 9.825 6.798 1.00 0.00 C ATOM 0 H ALA A 80 -11.913 10.003 4.009 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.086 11.592 5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.107 10.333 7.741 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.829 9.405 6.404 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -11.184 9.023 6.966 1.00 0.00 H new ATOM 827 N GLY A 81 -9.614 11.299 7.490 1.00 0.00 N ATOM 828 CA GLY A 81 -8.519 11.989 8.125 1.00 0.00 C ATOM 829 C GLY A 81 -7.200 11.288 7.919 1.00 0.00 C ATOM 830 O GLY A 81 -6.391 11.284 8.843 1.00 0.00 O ATOM 0 H GLY A 81 -9.978 10.524 8.045 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.454 13.003 7.730 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.718 12.075 9.193 1.00 0.00 H new ATOM 834 N MET A 82 -6.932 10.745 6.733 1.00 0.00 N ATOM 835 CA MET A 82 -5.559 10.460 6.359 1.00 0.00 C ATOM 836 C MET A 82 -4.727 11.740 6.340 1.00 0.00 C ATOM 837 O MET A 82 -3.537 11.712 6.638 1.00 0.00 O ATOM 838 CB MET A 82 -5.525 9.733 5.025 1.00 0.00 C ATOM 839 CG MET A 82 -4.100 9.361 4.616 1.00 0.00 C ATOM 840 SD MET A 82 -3.965 8.491 3.038 1.00 0.00 S ATOM 841 CE MET A 82 -4.674 6.889 3.459 1.00 0.00 C ATOM 0 H MET A 82 -7.632 10.500 6.033 1.00 0.00 H new ATOM 0 HA MET A 82 -5.112 9.803 7.106 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.132 8.830 5.088 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.971 10.364 4.256 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.503 10.271 4.565 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.664 8.737 5.397 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.191 6.481 2.591 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.879 6.207 3.761 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.381 7.008 4.280 1.00 0.00 H new ATOM 851 N ASN A 83 -5.360 12.882 6.067 1.00 0.00 N ATOM 852 CA ASN A 83 -4.701 14.181 6.035 1.00 0.00 C ATOM 853 C ASN A 83 -3.908 14.485 7.301 1.00 0.00 C ATOM 854 O ASN A 83 -2.906 15.192 7.220 1.00 0.00 O ATOM 855 CB ASN A 83 -5.722 15.313 5.864 1.00 0.00 C ATOM 856 CG ASN A 83 -6.404 15.317 4.519 1.00 0.00 C ATOM 857 OD1 ASN A 83 -5.955 16.000 3.601 1.00 0.00 O ATOM 858 ND2 ASN A 83 -7.486 14.563 4.379 1.00 0.00 N ATOM 0 H ASN A 83 -6.358 12.927 5.860 1.00 0.00 H new ATOM 0 HA ASN A 83 -4.017 14.129 5.188 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.478 15.229 6.645 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.219 16.269 6.009 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.977 14.536 3.485 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.828 14.010 5.165 1.00 0.00 H new ATOM 865 N LEU A 84 -4.356 13.978 8.452 1.00 0.00 N ATOM 866 CA LEU A 84 -3.877 14.420 9.757 1.00 0.00 C ATOM 867 C LEU A 84 -2.681 13.574 10.189 1.00 0.00 C ATOM 868 O LEU A 84 -2.026 13.903 11.174 1.00 0.00 O ATOM 869 CB LEU A 84 -4.987 14.348 10.835 1.00 0.00 C ATOM 870 CG LEU A 84 -6.460 14.368 10.371 1.00 0.00 C ATOM 871 CD1 LEU A 84 -7.407 14.210 11.558 1.00 0.00 C ATOM 872 CD2 LEU A 84 -6.897 15.600 9.579 1.00 0.00 C ATOM 0 H LEU A 84 -5.065 13.246 8.502 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.575 15.463 9.660 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.832 13.436 11.411 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.842 15.185 11.518 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.518 13.523 9.685 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.438 14.227 11.205 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.210 13.261 12.057 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.250 15.029 12.260 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.948 15.504 9.307 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.761 16.492 10.190 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.294 15.684 8.675 1.00 0.00 H new ATOM 884 N LEU A 85 -2.441 12.461 9.490 1.00 0.00 N ATOM 885 CA LEU A 85 -1.482 11.448 9.879 1.00 0.00 C ATOM 886 C LEU A 85 -0.058 11.917 9.567 1.00 0.00 C ATOM 887 O LEU A 85 0.155 12.924 8.877 1.00 0.00 O ATOM 888 CB LEU A 85 -1.792 10.139 9.143 1.00 0.00 C ATOM 889 CG LEU A 85 -3.139 9.435 9.424 1.00 0.00 C ATOM 890 CD1 LEU A 85 -2.878 7.946 9.674 1.00 0.00 C ATOM 891 CD2 LEU A 85 -3.991 9.978 10.569 1.00 0.00 C ATOM 0 H LEU A 85 -2.925 12.243 8.619 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.556 11.276 10.953 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.740 10.340 8.073 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.995 9.433 9.373 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.731 9.632 8.530 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.822 7.440 9.873 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.409 7.506 8.794 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.217 7.832 10.533 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.905 9.391 10.652 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.431 9.912 11.502 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.246 11.019 10.371 1.00 0.00 H new ATOM 903 N ALA A 86 0.932 11.152 10.030 1.00 0.00 N ATOM 904 CA ALA A 86 2.280 11.243 9.501 1.00 0.00 C ATOM 905 C ALA A 86 2.285 10.793 8.042 1.00 0.00 C ATOM 906 O ALA A 86 1.379 10.102 7.578 1.00 0.00 O ATOM 907 CB ALA A 86 3.249 10.389 10.327 1.00 0.00 C ATOM 0 H ALA A 86 0.818 10.462 10.773 1.00 0.00 H new ATOM 0 HA ALA A 86 2.613 12.279 9.560 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.253 10.473 9.911 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.253 10.739 11.359 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.931 9.347 10.298 1.00 0.00 H new ATOM 913 N ASP A 87 3.338 11.155 7.309 1.00 0.00 N ATOM 914 CA ASP A 87 3.732 10.480 6.069 1.00 0.00 C ATOM 915 C ASP A 87 3.710 8.968 6.306 1.00 0.00 C ATOM 916 O ASP A 87 2.860 8.257 5.759 1.00 0.00 O ATOM 917 CB ASP A 87 5.120 10.967 5.645 1.00 0.00 C ATOM 918 CG ASP A 87 5.826 9.985 4.703 1.00 0.00 C ATOM 919 OD1 ASP A 87 7.057 9.854 4.889 1.00 0.00 O ATOM 920 OD2 ASP A 87 5.159 9.410 3.813 1.00 0.00 O ATOM 0 H ASP A 87 3.948 11.933 7.561 1.00 0.00 H new ATOM 0 HA ASP A 87 3.037 10.713 5.262 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.027 11.935 5.152 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.734 11.119 6.532 1.00 0.00 H new ATOM 926 N ASP A 88 4.625 8.521 7.172 1.00 0.00 N ATOM 927 CA ASP A 88 5.131 7.156 7.305 1.00 0.00 C ATOM 928 C ASP A 88 4.228 6.244 8.141 1.00 0.00 C ATOM 929 O ASP A 88 4.681 5.323 8.819 1.00 0.00 O ATOM 930 CB ASP A 88 6.520 7.254 7.962 1.00 0.00 C ATOM 931 CG ASP A 88 6.552 7.742 9.423 1.00 0.00 C ATOM 932 OD1 ASP A 88 5.500 8.095 10.002 1.00 0.00 O ATOM 933 OD2 ASP A 88 7.673 7.881 9.964 1.00 0.00 O ATOM 0 H ASP A 88 5.061 9.151 7.846 1.00 0.00 H new ATOM 0 HA ASP A 88 5.169 6.704 6.314 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.989 6.271 7.920 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.135 7.926 7.363 1.00 0.00 H new ATOM 939 N ALA A 89 2.921 6.417 7.998 1.00 0.00 N ATOM 940 CA ALA A 89 1.985 6.150 9.077 1.00 0.00 C ATOM 941 C ALA A 89 1.423 4.722 9.149 1.00 0.00 C ATOM 942 O ALA A 89 0.585 4.461 10.012 1.00 0.00 O ATOM 943 CB ALA A 89 0.880 7.201 8.958 1.00 0.00 C ATOM 0 H ALA A 89 2.484 6.744 7.136 1.00 0.00 H new ATOM 0 HA ALA A 89 2.527 6.222 10.020 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.145 7.047 9.748 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.313 8.197 9.054 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.393 7.109 7.987 1.00 0.00 H new ATOM 949 N CYS A 90 1.891 3.806 8.299 1.00 0.00 N ATOM 950 CA CYS A 90 1.343 2.457 8.072 1.00 0.00 C ATOM 951 C CYS A 90 -0.185 2.490 7.951 1.00 0.00 C ATOM 952 O CYS A 90 -0.920 2.138 8.882 1.00 0.00 O ATOM 953 CB CYS A 90 1.791 1.478 9.160 1.00 0.00 C ATOM 954 SG CYS A 90 3.564 1.436 9.465 1.00 0.00 S ATOM 0 H CYS A 90 2.707 3.991 7.716 1.00 0.00 H new ATOM 0 HA CYS A 90 1.744 2.098 7.124 1.00 0.00 H new ATOM 0 HB2 CYS A 90 1.284 1.735 10.090 1.00 0.00 H new ATOM 0 HB3 CYS A 90 1.462 0.476 8.884 1.00 0.00 H new ATOM 0 HG CYS A 90 4.185 1.104 8.372 1.00 0.00 H new ATOM 960 N VAL A 91 -0.676 2.960 6.807 1.00 0.00 N ATOM 961 CA VAL A 91 -2.038 3.436 6.701 1.00 0.00 C ATOM 962 C VAL A 91 -2.945 2.318 6.161 1.00 0.00 C ATOM 963 O VAL A 91 -2.633 1.703 5.140 1.00 0.00 O ATOM 964 CB VAL A 91 -2.075 4.726 5.864 1.00 0.00 C ATOM 965 CG1 VAL A 91 -3.388 5.432 6.162 1.00 0.00 C ATOM 966 CG2 VAL A 91 -0.970 5.723 6.254 1.00 0.00 C ATOM 0 H VAL A 91 -0.142 3.018 5.940 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.430 3.696 7.684 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.947 4.438 4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.445 6.353 5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.220 4.781 5.893 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.441 5.668 7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.046 6.613 5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.086 6.003 7.301 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.006 5.260 6.108 1.00 0.00 H new ATOM 976 N PRO A 92 -4.074 2.023 6.830 1.00 0.00 N ATOM 977 CA PRO A 92 -4.892 0.870 6.495 1.00 0.00 C ATOM 978 C PRO A 92 -5.698 1.055 5.226 1.00 0.00 C ATOM 979 O PRO A 92 -6.482 2.010 5.123 1.00 0.00 O ATOM 980 CB PRO A 92 -5.869 0.707 7.625 1.00 0.00 C ATOM 981 CG PRO A 92 -5.947 2.071 8.301 1.00 0.00 C ATOM 982 CD PRO A 92 -4.574 2.673 8.033 1.00 0.00 C ATOM 0 HA PRO A 92 -4.235 0.014 6.341 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.846 0.396 7.256 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.534 -0.059 8.325 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.744 2.684 7.880 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.145 1.980 9.369 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.642 3.752 7.893 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.903 2.503 8.875 1.00 0.00 H new ATOM 990 N LEU A 93 -5.610 0.092 4.313 1.00 0.00 N ATOM 991 CA LEU A 93 -6.254 0.218 3.025 1.00 0.00 C ATOM 992 C LEU A 93 -7.679 -0.330 2.960 1.00 0.00 C ATOM 993 O LEU A 93 -8.384 0.003 2.020 1.00 0.00 O ATOM 994 CB LEU A 93 -5.352 -0.336 1.917 1.00 0.00 C ATOM 995 CG LEU A 93 -5.787 0.062 0.488 1.00 0.00 C ATOM 996 CD1 LEU A 93 -5.997 1.574 0.347 1.00 0.00 C ATOM 997 CD2 LEU A 93 -4.717 -0.334 -0.523 1.00 0.00 C ATOM 0 H LEU A 93 -5.098 -0.780 4.448 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.389 1.287 2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.333 0.013 2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.333 -1.423 1.989 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.726 -0.458 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.302 1.805 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.773 1.900 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.066 2.093 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.038 -0.047 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.783 0.174 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.563 -1.412 -0.487 1.00 0.00 H new ATOM 1009 N THR A 94 -8.147 -1.079 3.959 1.00 0.00 N ATOM 1010 CA THR A 94 -9.552 -1.493 4.032 1.00 0.00 C ATOM 1011 C THR A 94 -10.240 -0.890 5.269 1.00 0.00 C ATOM 1012 O THR A 94 -11.368 -1.257 5.608 1.00 0.00 O ATOM 1013 CB THR A 94 -9.645 -3.026 3.836 1.00 0.00 C ATOM 1014 OG1 THR A 94 -10.967 -3.521 3.881 1.00 0.00 O ATOM 1015 CG2 THR A 94 -8.806 -3.852 4.811 1.00 0.00 C ATOM 0 H THR A 94 -7.572 -1.413 4.733 1.00 0.00 H new ATOM 0 HA THR A 94 -10.141 -1.081 3.213 1.00 0.00 H new ATOM 0 HB THR A 94 -9.234 -3.151 2.834 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.488 -3.003 4.529 1.00 0.00 H new ATOM 0 HG21 THR A 94 -8.936 -4.912 4.595 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.755 -3.586 4.702 1.00 0.00 H new ATOM 0 HG23 THR A 94 -9.128 -3.647 5.832 1.00 0.00 H new ATOM 1023 N THR A 95 -9.587 0.063 5.947 1.00 0.00 N ATOM 1024 CA THR A 95 -10.074 0.573 7.231 1.00 0.00 C ATOM 1025 C THR A 95 -10.278 2.092 7.199 1.00 0.00 C ATOM 1026 O THR A 95 -11.325 2.552 7.659 1.00 0.00 O ATOM 1027 CB THR A 95 -9.149 0.116 8.369 1.00 0.00 C ATOM 1028 OG1 THR A 95 -8.534 -1.136 8.083 1.00 0.00 O ATOM 1029 CG2 THR A 95 -9.820 0.001 9.725 1.00 0.00 C ATOM 0 H THR A 95 -8.721 0.495 5.626 1.00 0.00 H new ATOM 0 HA THR A 95 -11.059 0.149 7.423 1.00 0.00 H new ATOM 0 HB THR A 95 -8.407 0.912 8.427 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.952 -1.393 8.829 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.090 -0.327 10.465 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.221 0.972 10.016 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.632 -0.724 9.669 1.00 0.00 H new ATOM 1037 N MET A 96 -9.331 2.890 6.679 1.00 0.00 N ATOM 1038 CA MET A 96 -9.553 4.337 6.580 1.00 0.00 C ATOM 1039 C MET A 96 -10.550 4.635 5.455 1.00 0.00 C ATOM 1040 O MET A 96 -11.469 5.438 5.612 1.00 0.00 O ATOM 1041 CB MET A 96 -8.237 5.106 6.360 1.00 0.00 C ATOM 1042 CG MET A 96 -8.477 6.628 6.328 1.00 0.00 C ATOM 1043 SD MET A 96 -9.189 7.337 7.845 1.00 0.00 S ATOM 1044 CE MET A 96 -7.664 7.636 8.757 1.00 0.00 C ATOM 0 H MET A 96 -8.429 2.567 6.330 1.00 0.00 H new ATOM 0 HA MET A 96 -9.969 4.679 7.528 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.534 4.863 7.157 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.780 4.788 5.423 1.00 0.00 H new ATOM 0 HG2 MET A 96 -7.528 7.124 6.126 1.00 0.00 H new ATOM 0 HG3 MET A 96 -9.140 6.857 5.494 1.00 0.00 H new ATOM 0 HE1 MET A 96 -7.900 8.075 9.726 1.00 0.00 H new ATOM 0 HE2 MET A 96 -7.137 6.693 8.904 1.00 0.00 H new ATOM 0 HE3 MET A 96 -7.031 8.321 8.193 1.00 0.00 H new ATOM 1054 N VAL A 97 -10.328 3.998 4.311 1.00 0.00 N ATOM 1055 CA VAL A 97 -11.113 4.126 3.094 1.00 0.00 C ATOM 1056 C VAL A 97 -12.172 3.017 3.053 1.00 0.00 C ATOM 1057 O VAL A 97 -12.049 1.988 3.721 1.00 0.00 O ATOM 1058 CB VAL A 97 -10.154 4.169 1.877 1.00 0.00 C ATOM 1059 CG1 VAL A 97 -8.898 3.313 2.021 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -10.822 3.957 0.515 1.00 0.00 C ATOM 0 H VAL A 97 -9.553 3.344 4.204 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.672 5.061 3.064 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.822 5.207 1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.289 3.406 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.325 3.651 2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.182 2.270 2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -10.069 4.005 -0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -11.306 2.980 0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -11.568 4.735 0.351 1.00 0.00 H new ATOM 1070 N GLN A 98 -13.211 3.266 2.258 1.00 0.00 N ATOM 1071 CA GLN A 98 -14.309 2.378 1.933 1.00 0.00 C ATOM 1072 C GLN A 98 -13.990 1.622 0.650 1.00 0.00 C ATOM 1073 O GLN A 98 -13.565 2.227 -0.336 1.00 0.00 O ATOM 1074 CB GLN A 98 -15.550 3.259 1.764 1.00 0.00 C ATOM 1075 CG GLN A 98 -16.737 2.592 1.062 1.00 0.00 C ATOM 1076 CD GLN A 98 -17.048 3.219 -0.297 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -18.125 3.788 -0.482 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -16.141 3.165 -1.262 1.00 0.00 N ATOM 0 H GLN A 98 -13.308 4.168 1.791 1.00 0.00 H new ATOM 0 HA GLN A 98 -14.477 1.636 2.714 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -15.874 3.594 2.749 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.269 4.149 1.201 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -16.525 1.531 0.928 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -17.618 2.663 1.700 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -15.252 2.692 -1.100 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -16.332 3.597 -2.166 1.00 0.00 H new ATOM 1087 N ASP A 99 -14.298 0.326 0.642 1.00 0.00 N ATOM 1088 CA ASP A 99 -14.329 -0.602 -0.497 1.00 0.00 C ATOM 1089 C ASP A 99 -12.949 -0.943 -1.030 1.00 0.00 C ATOM 1090 O ASP A 99 -12.788 -2.005 -1.619 1.00 0.00 O ATOM 1091 CB ASP A 99 -15.205 -0.088 -1.649 1.00 0.00 C ATOM 1092 CG ASP A 99 -15.648 -1.163 -2.652 1.00 0.00 C ATOM 1093 OD1 ASP A 99 -15.688 -2.366 -2.298 1.00 0.00 O ATOM 1094 OD2 ASP A 99 -16.001 -0.799 -3.798 1.00 0.00 O ATOM 0 H ASP A 99 -14.556 -0.147 1.508 1.00 0.00 H new ATOM 0 HA ASP A 99 -14.771 -1.514 -0.096 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -16.093 0.384 -1.229 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -14.657 0.686 -2.186 1.00 0.00 H new ATOM 1100 N ALA A 100 -11.948 -0.087 -0.814 1.00 0.00 N ATOM 1101 CA ALA A 100 -10.561 -0.366 -1.146 1.00 0.00 C ATOM 1102 C ALA A 100 -10.072 -1.591 -0.371 1.00 0.00 C ATOM 1103 O ALA A 100 -10.584 -1.891 0.711 1.00 0.00 O ATOM 1104 CB ALA A 100 -9.710 0.854 -0.777 1.00 0.00 C ATOM 0 H ALA A 100 -12.087 0.833 -0.396 1.00 0.00 H new ATOM 0 HA ALA A 100 -10.474 -0.571 -2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.666 0.657 -1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.056 1.722 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.801 1.052 0.291 1.00 0.00 H new ATOM 1110 N THR A 101 -9.088 -2.300 -0.922 1.00 0.00 N ATOM 1111 CA THR A 101 -8.663 -3.595 -0.413 1.00 0.00 C ATOM 1112 C THR A 101 -7.157 -3.785 -0.616 1.00 0.00 C ATOM 1113 O THR A 101 -6.515 -3.051 -1.379 1.00 0.00 O ATOM 1114 CB THR A 101 -9.470 -4.716 -1.103 1.00 0.00 C ATOM 1115 OG1 THR A 101 -9.038 -4.887 -2.435 1.00 0.00 O ATOM 1116 CG2 THR A 101 -10.986 -4.494 -1.173 1.00 0.00 C ATOM 0 H THR A 101 -8.563 -1.987 -1.738 1.00 0.00 H new ATOM 0 HA THR A 101 -8.857 -3.641 0.659 1.00 0.00 H new ATOM 0 HB THR A 101 -9.285 -5.586 -0.473 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.558 -5.602 -2.858 1.00 0.00 H new ATOM 0 HG21 THR A 101 -11.455 -5.340 -1.676 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.388 -4.404 -0.164 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.195 -3.580 -1.729 1.00 0.00 H new ATOM 1124 N ALA A 102 -6.597 -4.800 0.046 1.00 0.00 N ATOM 1125 CA ALA A 102 -5.217 -5.221 -0.089 1.00 0.00 C ATOM 1126 C ALA A 102 -5.109 -6.738 0.058 1.00 0.00 C ATOM 1127 O ALA A 102 -5.474 -7.287 1.102 1.00 0.00 O ATOM 1128 CB ALA A 102 -4.369 -4.502 0.961 1.00 0.00 C ATOM 0 H ALA A 102 -7.119 -5.367 0.714 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.847 -4.958 -1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.329 -4.814 0.865 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.440 -3.425 0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.733 -4.754 1.957 1.00 0.00 H new ATOM 1134 N HIS A 103 -4.584 -7.398 -0.974 1.00 0.00 N ATOM 1135 CA HIS A 103 -4.456 -8.853 -1.059 1.00 0.00 C ATOM 1136 C HIS A 103 -3.063 -9.207 -1.550 1.00 0.00 C ATOM 1137 O HIS A 103 -2.633 -8.852 -2.648 1.00 0.00 O ATOM 1138 CB HIS A 103 -5.572 -9.442 -1.953 1.00 0.00 C ATOM 1139 CG HIS A 103 -5.183 -10.681 -2.733 1.00 0.00 C ATOM 1140 ND1 HIS A 103 -4.710 -11.868 -2.223 1.00 0.00 N ATOM 1141 CD2 HIS A 103 -5.129 -10.778 -4.094 1.00 0.00 C ATOM 1142 CE1 HIS A 103 -4.344 -12.645 -3.256 1.00 0.00 C ATOM 1143 NE2 HIS A 103 -4.566 -12.017 -4.427 1.00 0.00 N ATOM 0 H HIS A 103 -4.225 -6.920 -1.800 1.00 0.00 H new ATOM 0 HA HIS A 103 -4.582 -9.298 -0.072 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -6.431 -9.681 -1.326 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -5.895 -8.675 -2.657 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -5.463 -10.027 -4.795 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.929 -13.637 -3.161 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -4.366 -12.370 -5.363 1.00 0.00 H new ATOM 1152 N LEU A 104 -2.352 -9.929 -0.700 1.00 0.00 N ATOM 1153 CA LEU A 104 -1.048 -10.492 -0.963 1.00 0.00 C ATOM 1154 C LEU A 104 -1.226 -11.797 -1.737 1.00 0.00 C ATOM 1155 O LEU A 104 -1.838 -12.746 -1.231 1.00 0.00 O ATOM 1156 CB LEU A 104 -0.387 -10.741 0.396 1.00 0.00 C ATOM 1157 CG LEU A 104 0.702 -11.822 0.410 1.00 0.00 C ATOM 1158 CD1 LEU A 104 1.826 -11.577 -0.577 1.00 0.00 C ATOM 1159 CD2 LEU A 104 1.351 -11.794 1.776 1.00 0.00 C ATOM 0 H LEU A 104 -2.690 -10.146 0.238 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.424 -9.827 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.049 -9.805 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.161 -11.019 1.112 1.00 0.00 H new ATOM 0 HG LEU A 104 0.213 -12.761 0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.555 -12.384 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.421 -11.542 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.312 -10.629 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.133 -12.552 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.788 -10.811 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.601 -11.999 2.540 1.00 0.00 H new ATOM 1171 N ASP A 105 -0.641 -11.866 -2.928 1.00 0.00 N ATOM 1172 CA ASP A 105 -0.357 -13.108 -3.625 1.00 0.00 C ATOM 1173 C ASP A 105 1.034 -13.578 -3.214 1.00 0.00 C ATOM 1174 O ASP A 105 2.040 -13.124 -3.763 1.00 0.00 O ATOM 1175 CB ASP A 105 -0.398 -12.935 -5.155 1.00 0.00 C ATOM 1176 CG ASP A 105 -0.547 -14.284 -5.851 1.00 0.00 C ATOM 1177 OD1 ASP A 105 -1.013 -14.316 -7.004 1.00 0.00 O ATOM 1178 OD2 ASP A 105 -0.171 -15.332 -5.270 1.00 0.00 O ATOM 0 H ASP A 105 -0.345 -11.038 -3.445 1.00 0.00 H new ATOM 0 HA ASP A 105 -1.121 -13.838 -3.355 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.229 -12.286 -5.430 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.515 -12.445 -5.494 1.00 0.00 H new ATOM 1184 N VAL A 106 1.135 -14.450 -2.215 1.00 0.00 N ATOM 1185 CA VAL A 106 2.425 -15.046 -1.888 1.00 0.00 C ATOM 1186 C VAL A 106 2.799 -16.103 -2.933 1.00 0.00 C ATOM 1187 O VAL A 106 3.979 -16.422 -3.084 1.00 0.00 O ATOM 1188 CB VAL A 106 2.370 -15.583 -0.447 1.00 0.00 C ATOM 1189 CG1 VAL A 106 1.844 -17.007 -0.318 1.00 0.00 C ATOM 1190 CG2 VAL A 106 3.736 -15.521 0.228 1.00 0.00 C ATOM 0 H VAL A 106 0.357 -14.754 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 106 3.222 -14.304 -1.924 1.00 0.00 H new ATOM 0 HB VAL A 106 1.659 -14.922 0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.841 -17.300 0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.829 -17.057 -0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.485 -17.684 -0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 106 3.658 -15.908 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.448 -16.123 -0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.080 -14.487 0.259 1.00 0.00 H new ATOM 1200 N GLY A 107 1.814 -16.621 -3.674 1.00 0.00 N ATOM 1201 CA GLY A 107 1.997 -17.698 -4.620 1.00 0.00 C ATOM 1202 C GLY A 107 2.774 -17.221 -5.836 1.00 0.00 C ATOM 1203 O GLY A 107 3.585 -17.966 -6.389 1.00 0.00 O ATOM 0 H GLY A 107 0.851 -16.288 -3.623 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.529 -18.521 -4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.026 -18.084 -4.931 1.00 0.00 H new ATOM 1207 N GLN A 108 2.548 -15.972 -6.238 1.00 0.00 N ATOM 1208 CA GLN A 108 3.168 -15.321 -7.385 1.00 0.00 C ATOM 1209 C GLN A 108 3.858 -14.025 -6.958 1.00 0.00 C ATOM 1210 O GLN A 108 4.033 -13.139 -7.794 1.00 0.00 O ATOM 1211 CB GLN A 108 2.112 -15.094 -8.475 1.00 0.00 C ATOM 1212 CG GLN A 108 1.555 -16.394 -9.087 1.00 0.00 C ATOM 1213 CD GLN A 108 2.156 -16.719 -10.461 1.00 0.00 C ATOM 1214 OE1 GLN A 108 2.014 -15.959 -11.421 1.00 0.00 O ATOM 1215 NE2 GLN A 108 2.846 -17.835 -10.601 1.00 0.00 N ATOM 0 H GLN A 108 1.896 -15.359 -5.748 1.00 0.00 H new ATOM 0 HA GLN A 108 3.944 -15.964 -7.802 1.00 0.00 H new ATOM 0 HB2 GLN A 108 1.287 -14.520 -8.053 1.00 0.00 H new ATOM 0 HB3 GLN A 108 2.549 -14.488 -9.269 1.00 0.00 H new ATOM 0 HG2 GLN A 108 1.752 -17.222 -8.406 1.00 0.00 H new ATOM 0 HG3 GLN A 108 0.472 -16.309 -9.182 1.00 0.00 H new ATOM 0 HE21 GLN A 108 2.964 -18.465 -9.807 1.00 0.00 H new ATOM 0 HE22 GLN A 108 3.261 -18.068 -11.503 1.00 0.00 H new ATOM 1224 N GLN A 109 4.251 -13.924 -5.683 1.00 0.00 N ATOM 1225 CA GLN A 109 4.977 -12.811 -5.081 1.00 0.00 C ATOM 1226 C GLN A 109 4.536 -11.451 -5.644 1.00 0.00 C ATOM 1227 O GLN A 109 5.220 -10.821 -6.448 1.00 0.00 O ATOM 1228 CB GLN A 109 6.494 -13.081 -5.173 1.00 0.00 C ATOM 1229 CG GLN A 109 7.021 -13.777 -3.909 1.00 0.00 C ATOM 1230 CD GLN A 109 8.489 -13.430 -3.668 1.00 0.00 C ATOM 1231 OE1 GLN A 109 9.414 -14.155 -4.016 1.00 0.00 O ATOM 1232 NE2 GLN A 109 8.736 -12.261 -3.102 1.00 0.00 N ATOM 0 H GLN A 109 4.057 -14.663 -5.008 1.00 0.00 H new ATOM 0 HA GLN A 109 4.727 -12.744 -4.022 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.702 -13.702 -6.045 1.00 0.00 H new ATOM 0 HB3 GLN A 109 7.024 -12.140 -5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 109 6.426 -13.475 -3.047 1.00 0.00 H new ATOM 0 HG3 GLN A 109 6.910 -14.857 -4.010 1.00 0.00 H new ATOM 0 HE21 GLN A 109 7.963 -11.661 -2.814 1.00 0.00 H new ATOM 0 HE22 GLN A 109 9.699 -11.960 -2.954 1.00 0.00 H new ATOM 1241 N ARG A 110 3.362 -11.001 -5.206 1.00 0.00 N ATOM 1242 CA ARG A 110 2.693 -9.800 -5.713 1.00 0.00 C ATOM 1243 C ARG A 110 2.050 -9.078 -4.551 1.00 0.00 C ATOM 1244 O ARG A 110 1.975 -9.616 -3.437 1.00 0.00 O ATOM 1245 CB ARG A 110 1.694 -10.250 -6.782 1.00 0.00 C ATOM 1246 CG ARG A 110 1.276 -9.236 -7.857 1.00 0.00 C ATOM 1247 CD ARG A 110 0.521 -9.962 -8.995 1.00 0.00 C ATOM 1248 NE ARG A 110 1.370 -10.987 -9.645 1.00 0.00 N ATOM 1249 CZ ARG A 110 2.536 -10.600 -10.161 1.00 0.00 C ATOM 1250 NH1 ARG A 110 2.515 -9.682 -11.112 1.00 0.00 N ATOM 1251 NH2 ARG A 110 3.684 -11.053 -9.673 1.00 0.00 N ATOM 0 H ARG A 110 2.835 -11.472 -4.470 1.00 0.00 H new ATOM 0 HA ARG A 110 3.383 -9.094 -6.175 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.117 -11.117 -7.289 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.791 -10.587 -6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.639 -8.468 -7.418 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.156 -8.731 -8.256 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.377 -10.433 -8.594 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.195 -9.234 -9.738 1.00 0.00 H new ATOM 0 HE ARG A 110 1.071 -11.961 -9.696 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.626 -9.294 -11.427 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.388 -9.361 -11.531 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.683 -11.708 -8.891 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.568 -10.746 -10.080 1.00 0.00 H new ATOM 1265 N LEU A 111 1.585 -7.860 -4.800 1.00 0.00 N ATOM 1266 CA LEU A 111 0.684 -7.180 -3.895 1.00 0.00 C ATOM 1267 C LEU A 111 -0.439 -6.599 -4.741 1.00 0.00 C ATOM 1268 O LEU A 111 -0.146 -5.774 -5.592 1.00 0.00 O ATOM 1269 CB LEU A 111 1.429 -6.098 -3.117 1.00 0.00 C ATOM 1270 CG LEU A 111 0.537 -5.489 -2.032 1.00 0.00 C ATOM 1271 CD1 LEU A 111 -0.034 -6.516 -1.050 1.00 0.00 C ATOM 1272 CD2 LEU A 111 1.361 -4.415 -1.316 1.00 0.00 C ATOM 0 H LEU A 111 1.824 -7.323 -5.633 1.00 0.00 H new ATOM 0 HA LEU A 111 0.273 -7.865 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.323 -6.523 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.761 -5.317 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.345 -5.056 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.655 -6.008 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.638 -7.243 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.784 -7.030 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.758 -3.956 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.246 -4.871 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.666 -3.653 -2.033 1.00 0.00 H new ATOM 1284 N ASN A 112 -1.687 -7.013 -4.540 1.00 0.00 N ATOM 1285 CA ASN A 112 -2.842 -6.720 -5.382 1.00 0.00 C ATOM 1286 C ASN A 112 -3.791 -5.873 -4.551 1.00 0.00 C ATOM 1287 O ASN A 112 -4.458 -6.378 -3.643 1.00 0.00 O ATOM 1288 CB ASN A 112 -3.590 -7.998 -5.801 1.00 0.00 C ATOM 1289 CG ASN A 112 -2.951 -8.818 -6.912 1.00 0.00 C ATOM 1290 OD1 ASN A 112 -2.452 -8.284 -7.899 1.00 0.00 O ATOM 1291 ND2 ASN A 112 -2.975 -10.141 -6.785 1.00 0.00 N ATOM 0 H ASN A 112 -1.933 -7.595 -3.739 1.00 0.00 H new ATOM 0 HA ASN A 112 -2.503 -6.216 -6.287 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -3.697 -8.635 -4.923 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -4.595 -7.719 -6.117 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.575 -10.731 -7.515 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -3.394 -10.566 -5.958 1.00 0.00 H new ATOM 1298 N LEU A 113 -3.834 -4.578 -4.821 1.00 0.00 N ATOM 1299 CA LEU A 113 -4.680 -3.617 -4.138 1.00 0.00 C ATOM 1300 C LEU A 113 -5.814 -3.195 -5.069 1.00 0.00 C ATOM 1301 O LEU A 113 -5.638 -3.171 -6.292 1.00 0.00 O ATOM 1302 CB LEU A 113 -3.848 -2.383 -3.764 1.00 0.00 C ATOM 1303 CG LEU A 113 -2.543 -2.589 -2.971 1.00 0.00 C ATOM 1304 CD1 LEU A 113 -2.638 -3.598 -1.835 1.00 0.00 C ATOM 1305 CD2 LEU A 113 -1.327 -2.852 -3.856 1.00 0.00 C ATOM 0 H LEU A 113 -3.259 -4.154 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.092 -4.068 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.596 -1.861 -4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.486 -1.716 -3.184 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.387 -1.623 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.672 -3.676 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.392 -3.270 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.918 -4.572 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.444 -2.987 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.495 -3.753 -4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.172 -2.004 -4.523 1.00 0.00 H new ATOM 1317 N THR A 114 -6.926 -2.742 -4.501 1.00 0.00 N ATOM 1318 CA THR A 114 -8.020 -2.115 -5.231 1.00 0.00 C ATOM 1319 C THR A 114 -8.376 -0.819 -4.512 1.00 0.00 C ATOM 1320 O THR A 114 -8.334 -0.789 -3.282 1.00 0.00 O ATOM 1321 CB THR A 114 -9.224 -3.066 -5.279 1.00 0.00 C ATOM 1322 OG1 THR A 114 -8.872 -4.292 -5.904 1.00 0.00 O ATOM 1323 CG2 THR A 114 -10.388 -2.449 -6.052 1.00 0.00 C ATOM 0 H THR A 114 -7.095 -2.802 -3.497 1.00 0.00 H new ATOM 0 HA THR A 114 -7.729 -1.897 -6.258 1.00 0.00 H new ATOM 0 HB THR A 114 -9.528 -3.247 -4.248 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.652 -4.885 -5.923 1.00 0.00 H new ATOM 0 HG21 THR A 114 -11.225 -3.147 -6.068 1.00 0.00 H new ATOM 0 HG22 THR A 114 -10.697 -1.523 -5.567 1.00 0.00 H new ATOM 0 HG23 THR A 114 -10.074 -2.236 -7.074 1.00 0.00 H new ATOM 1331 N ILE A 115 -8.726 0.236 -5.256 1.00 0.00 N ATOM 1332 CA ILE A 115 -9.307 1.473 -4.735 1.00 0.00 C ATOM 1333 C ILE A 115 -10.311 2.005 -5.782 1.00 0.00 C ATOM 1334 O ILE A 115 -9.960 2.081 -6.969 1.00 0.00 O ATOM 1335 CB ILE A 115 -8.196 2.508 -4.423 1.00 0.00 C ATOM 1336 CG1 ILE A 115 -7.148 1.982 -3.424 1.00 0.00 C ATOM 1337 CG2 ILE A 115 -8.785 3.831 -3.905 1.00 0.00 C ATOM 1338 CD1 ILE A 115 -6.051 2.988 -3.086 1.00 0.00 C ATOM 0 H ILE A 115 -8.608 0.250 -6.269 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.830 1.286 -3.797 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.689 2.688 -5.371 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.654 1.689 -2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.688 1.083 -3.835 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.977 4.532 -3.697 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -9.448 4.255 -4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.349 3.645 -2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.354 2.541 -2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.517 3.264 -3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.498 3.878 -2.643 1.00 0.00 H new ATOM 1350 N PRO A 116 -11.534 2.410 -5.388 1.00 0.00 N ATOM 1351 CA PRO A 116 -12.476 3.064 -6.294 1.00 0.00 C ATOM 1352 C PRO A 116 -12.029 4.466 -6.734 1.00 0.00 C ATOM 1353 O PRO A 116 -11.264 5.139 -6.041 1.00 0.00 O ATOM 1354 CB PRO A 116 -13.807 3.138 -5.543 1.00 0.00 C ATOM 1355 CG PRO A 116 -13.543 2.716 -4.102 1.00 0.00 C ATOM 1356 CD PRO A 116 -12.096 2.235 -4.056 1.00 0.00 C ATOM 0 HA PRO A 116 -12.550 2.489 -7.217 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -14.212 4.149 -5.578 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -14.545 2.483 -6.005 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -13.697 3.550 -3.418 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -14.226 1.923 -3.797 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -11.526 2.804 -3.322 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -12.049 1.189 -3.755 1.00 0.00 H new ATOM 1364 N GLN A 117 -12.609 4.975 -7.831 1.00 0.00 N ATOM 1365 CA GLN A 117 -12.427 6.356 -8.276 1.00 0.00 C ATOM 1366 C GLN A 117 -12.882 7.366 -7.229 1.00 0.00 C ATOM 1367 O GLN A 117 -12.406 8.502 -7.232 1.00 0.00 O ATOM 1368 CB GLN A 117 -13.223 6.610 -9.567 1.00 0.00 C ATOM 1369 CG GLN A 117 -12.552 6.080 -10.835 1.00 0.00 C ATOM 1370 CD GLN A 117 -11.099 6.534 -10.961 1.00 0.00 C ATOM 1371 OE1 GLN A 117 -10.773 7.668 -11.316 1.00 0.00 O ATOM 1372 NE2 GLN A 117 -10.178 5.655 -10.632 1.00 0.00 N ATOM 0 H GLN A 117 -13.223 4.431 -8.437 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.359 6.488 -8.448 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -14.206 6.149 -9.470 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -13.383 7.683 -9.676 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -12.590 4.991 -10.834 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -13.112 6.418 -11.707 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.450 4.717 -10.338 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.191 5.911 -10.670 1.00 0.00 H new ATOM 1381 N ALA A 118 -13.760 6.954 -6.314 1.00 0.00 N ATOM 1382 CA ALA A 118 -14.286 7.790 -5.250 1.00 0.00 C ATOM 1383 C ALA A 118 -13.187 8.421 -4.381 1.00 0.00 C ATOM 1384 O ALA A 118 -13.474 9.432 -3.742 1.00 0.00 O ATOM 1385 CB ALA A 118 -15.260 6.975 -4.392 1.00 0.00 C ATOM 0 H ALA A 118 -14.131 6.004 -6.297 1.00 0.00 H new ATOM 0 HA ALA A 118 -14.813 8.621 -5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -15.655 7.603 -3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -16.082 6.619 -5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -14.737 6.122 -3.958 1.00 0.00 H new ATOM 1391 N PHE A 119 -11.958 7.883 -4.365 1.00 0.00 N ATOM 1392 CA PHE A 119 -10.874 8.395 -3.536 1.00 0.00 C ATOM 1393 C PHE A 119 -9.531 8.446 -4.289 1.00 0.00 C ATOM 1394 O PHE A 119 -8.494 8.191 -3.691 1.00 0.00 O ATOM 1395 CB PHE A 119 -10.741 7.522 -2.272 1.00 0.00 C ATOM 1396 CG PHE A 119 -11.987 7.265 -1.439 1.00 0.00 C ATOM 1397 CD1 PHE A 119 -12.764 6.123 -1.692 1.00 0.00 C ATOM 1398 CD2 PHE A 119 -12.291 8.060 -0.316 1.00 0.00 C ATOM 1399 CE1 PHE A 119 -13.797 5.757 -0.819 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -13.334 7.699 0.552 1.00 0.00 C ATOM 1401 CZ PHE A 119 -14.095 6.551 0.301 1.00 0.00 C ATOM 0 H PHE A 119 -11.694 7.077 -4.932 1.00 0.00 H new ATOM 0 HA PHE A 119 -11.122 9.420 -3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -10.339 6.555 -2.576 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -9.998 7.986 -1.624 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -12.564 5.522 -2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -11.717 8.954 -0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -14.367 4.860 -1.008 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -13.550 8.309 1.417 1.00 0.00 H new ATOM 0 HZ PHE A 119 -14.904 6.278 0.963 1.00 0.00 H new ATOM 1411 N MET A 120 -9.471 8.815 -5.568 1.00 0.00 N ATOM 1412 CA MET A 120 -8.208 8.825 -6.331 1.00 0.00 C ATOM 1413 C MET A 120 -7.773 10.280 -6.601 1.00 0.00 C ATOM 1414 O MET A 120 -8.606 11.186 -6.656 1.00 0.00 O ATOM 1415 CB MET A 120 -8.393 8.122 -7.691 1.00 0.00 C ATOM 1416 CG MET A 120 -7.928 6.663 -7.769 1.00 0.00 C ATOM 1417 SD MET A 120 -7.356 6.201 -9.439 1.00 0.00 S ATOM 1418 CE MET A 120 -5.699 5.533 -9.118 1.00 0.00 C ATOM 0 H MET A 120 -10.284 9.114 -6.107 1.00 0.00 H new ATOM 0 HA MET A 120 -7.453 8.302 -5.744 1.00 0.00 H new ATOM 0 HB2 MET A 120 -9.450 8.159 -7.955 1.00 0.00 H new ATOM 0 HB3 MET A 120 -7.856 8.694 -8.448 1.00 0.00 H new ATOM 0 HG2 MET A 120 -7.120 6.504 -7.055 1.00 0.00 H new ATOM 0 HG3 MET A 120 -8.748 6.007 -7.475 1.00 0.00 H new ATOM 0 HE1 MET A 120 -5.001 5.920 -9.860 1.00 0.00 H new ATOM 0 HE2 MET A 120 -5.373 5.833 -8.122 1.00 0.00 H new ATOM 0 HE3 MET A 120 -5.727 4.445 -9.178 1.00 0.00 H new ATOM 1428 N SER A 121 -6.463 10.517 -6.723 1.00 0.00 N ATOM 1429 CA SER A 121 -5.749 11.750 -7.068 1.00 0.00 C ATOM 1430 C SER A 121 -4.258 11.455 -6.885 1.00 0.00 C ATOM 1431 O SER A 121 -3.886 10.619 -6.065 1.00 0.00 O ATOM 1432 CB SER A 121 -6.125 12.916 -6.139 1.00 0.00 C ATOM 1433 OG SER A 121 -5.339 14.080 -6.310 1.00 0.00 O ATOM 0 H SER A 121 -5.800 9.759 -6.563 1.00 0.00 H new ATOM 0 HA SER A 121 -6.006 12.042 -8.086 1.00 0.00 H new ATOM 0 HB2 SER A 121 -7.172 13.172 -6.304 1.00 0.00 H new ATOM 0 HB3 SER A 121 -6.038 12.583 -5.105 1.00 0.00 H new ATOM 0 HG SER A 121 -5.874 14.871 -6.092 1.00 0.00 H new ATOM 1439 N ASN A 122 -3.388 12.223 -7.541 1.00 0.00 N ATOM 1440 CA ASN A 122 -1.958 12.183 -7.250 1.00 0.00 C ATOM 1441 C ASN A 122 -1.600 12.752 -5.865 1.00 0.00 C ATOM 1442 O ASN A 122 -0.475 12.566 -5.399 1.00 0.00 O ATOM 1443 CB ASN A 122 -1.211 13.012 -8.301 1.00 0.00 C ATOM 1444 CG ASN A 122 0.293 12.841 -8.121 1.00 0.00 C ATOM 1445 OD1 ASN A 122 0.805 11.728 -8.158 1.00 0.00 O ATOM 1446 ND2 ASN A 122 1.047 13.897 -7.883 1.00 0.00 N ATOM 0 H ASN A 122 -3.650 12.879 -8.277 1.00 0.00 H new ATOM 0 HA ASN A 122 -1.667 11.133 -7.266 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -1.505 12.697 -9.302 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -1.480 14.064 -8.206 1.00 0.00 H new ATOM 0 HD21 ASN A 122 2.049 13.784 -7.731 1.00 0.00 H new ATOM 0 HD22 ASN A 122 0.628 14.826 -7.851 1.00 0.00 H new ATOM 1453 N ARG A 123 -2.475 13.551 -5.239 1.00 0.00 N ATOM 1454 CA ARG A 123 -2.092 14.397 -4.103 1.00 0.00 C ATOM 1455 C ARG A 123 -1.737 13.563 -2.866 1.00 0.00 C ATOM 1456 O ARG A 123 -2.637 13.088 -2.176 1.00 0.00 O ATOM 1457 CB ARG A 123 -3.133 15.509 -3.871 1.00 0.00 C ATOM 1458 CG ARG A 123 -4.498 15.059 -3.324 1.00 0.00 C ATOM 1459 CD ARG A 123 -5.595 16.086 -3.632 1.00 0.00 C ATOM 1460 NE ARG A 123 -5.616 17.198 -2.663 1.00 0.00 N ATOM 1461 CZ ARG A 123 -6.043 18.448 -2.875 1.00 0.00 C ATOM 1462 NH1 ARG A 123 -6.389 18.870 -4.087 1.00 0.00 N ATOM 1463 NH2 ARG A 123 -6.137 19.302 -1.865 1.00 0.00 N ATOM 0 H ARG A 123 -3.457 13.628 -5.503 1.00 0.00 H new ATOM 0 HA ARG A 123 -1.166 14.920 -4.343 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -2.709 16.236 -3.178 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -3.297 16.027 -4.816 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -4.766 14.097 -3.760 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -4.428 14.912 -2.246 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -5.443 16.485 -4.635 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -6.565 15.588 -3.630 1.00 0.00 H new ATOM 0 HE ARG A 123 -5.266 16.991 -1.728 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -6.332 18.235 -4.883 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -6.711 19.828 -4.221 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -5.883 19.007 -0.922 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -6.463 20.254 -2.031 1.00 0.00 H new ATOM 1477 N ALA A 124 -0.440 13.395 -2.565 1.00 0.00 N ATOM 1478 CA ALA A 124 -0.009 12.729 -1.339 1.00 0.00 C ATOM 1479 C ALA A 124 -0.105 13.650 -0.135 1.00 0.00 C ATOM 1480 O ALA A 124 -0.327 13.164 0.974 1.00 0.00 O ATOM 1481 CB ALA A 124 1.434 12.230 -1.436 1.00 0.00 C ATOM 0 H ALA A 124 0.325 13.714 -3.159 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.682 11.881 -1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 124 1.713 11.741 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.519 11.519 -2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.099 13.074 -1.617 1.00 0.00 H new ATOM 1487 N ARG A 125 0.077 14.962 -0.349 1.00 0.00 N ATOM 1488 CA ARG A 125 0.343 15.944 0.704 1.00 0.00 C ATOM 1489 C ARG A 125 1.628 15.578 1.459 1.00 0.00 C ATOM 1490 O ARG A 125 1.732 15.804 2.662 1.00 0.00 O ATOM 1491 CB ARG A 125 -0.899 16.138 1.601 1.00 0.00 C ATOM 1492 CG ARG A 125 -2.128 16.704 0.865 1.00 0.00 C ATOM 1493 CD ARG A 125 -2.205 18.232 0.948 1.00 0.00 C ATOM 1494 NE ARG A 125 -1.142 18.931 0.198 1.00 0.00 N ATOM 1495 CZ ARG A 125 -0.716 20.175 0.455 1.00 0.00 C ATOM 1496 NH1 ARG A 125 -1.180 20.858 1.492 1.00 0.00 N ATOM 1497 NH2 ARG A 125 0.177 20.759 -0.333 1.00 0.00 N ATOM 0 H ARG A 125 0.042 15.375 -1.281 1.00 0.00 H new ATOM 0 HA ARG A 125 0.529 16.923 0.262 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.166 15.179 2.045 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.640 16.808 2.421 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -2.093 16.401 -0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.034 16.273 1.292 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -3.175 18.557 0.571 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.153 18.531 1.995 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.700 18.430 -0.572 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -1.873 20.437 2.111 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -0.843 21.804 1.671 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.546 20.261 -1.143 1.00 0.00 H new ATOM 0 HH22 ARG A 125 0.495 21.706 -0.129 1.00 0.00 H new ATOM 1511 N GLY A 126 2.615 15.039 0.746 1.00 0.00 N ATOM 1512 CA GLY A 126 3.905 14.634 1.267 1.00 0.00 C ATOM 1513 C GLY A 126 4.578 13.742 0.237 1.00 0.00 C ATOM 1514 O GLY A 126 4.464 12.521 0.318 1.00 0.00 O ATOM 0 H GLY A 126 2.526 14.868 -0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.522 15.508 1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.783 14.100 2.210 1.00 0.00 H new ATOM 1518 N TYR A 127 5.224 14.327 -0.775 1.00 0.00 N ATOM 1519 CA TYR A 127 6.118 13.567 -1.641 1.00 0.00 C ATOM 1520 C TYR A 127 7.304 13.125 -0.802 1.00 0.00 C ATOM 1521 O TYR A 127 7.980 13.963 -0.199 1.00 0.00 O ATOM 1522 CB TYR A 127 6.579 14.378 -2.876 1.00 0.00 C ATOM 1523 CG TYR A 127 7.970 14.046 -3.415 1.00 0.00 C ATOM 1524 CD1 TYR A 127 8.339 12.715 -3.693 1.00 0.00 C ATOM 1525 CD2 TYR A 127 8.930 15.067 -3.567 1.00 0.00 C ATOM 1526 CE1 TYR A 127 9.656 12.393 -4.056 1.00 0.00 C ATOM 1527 CE2 TYR A 127 10.248 14.756 -3.950 1.00 0.00 C ATOM 1528 CZ TYR A 127 10.621 13.413 -4.182 1.00 0.00 C ATOM 1529 OH TYR A 127 11.909 13.112 -4.505 1.00 0.00 O ATOM 0 H TYR A 127 5.144 15.316 -1.011 1.00 0.00 H new ATOM 0 HA TYR A 127 5.585 12.704 -2.040 1.00 0.00 H new ATOM 0 HB2 TYR A 127 5.855 14.226 -3.677 1.00 0.00 H new ATOM 0 HB3 TYR A 127 6.554 15.437 -2.620 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.598 11.932 -3.626 1.00 0.00 H new ATOM 0 HD2 TYR A 127 8.652 16.095 -3.388 1.00 0.00 H new ATOM 0 HE1 TYR A 127 9.930 11.364 -4.239 1.00 0.00 H new ATOM 0 HE2 TYR A 127 10.976 15.545 -4.067 1.00 0.00 H new ATOM 0 HH TYR A 127 12.436 13.937 -4.550 1.00 0.00 H new ATOM 1539 N ILE A 128 7.538 11.814 -0.808 1.00 0.00 N ATOM 1540 CA ILE A 128 8.672 11.143 -0.214 1.00 0.00 C ATOM 1541 C ILE A 128 9.166 10.120 -1.236 1.00 0.00 C ATOM 1542 O ILE A 128 8.351 9.342 -1.747 1.00 0.00 O ATOM 1543 CB ILE A 128 8.228 10.541 1.130 1.00 0.00 C ATOM 1544 CG1 ILE A 128 8.043 11.685 2.143 1.00 0.00 C ATOM 1545 CG2 ILE A 128 9.109 9.404 1.684 1.00 0.00 C ATOM 1546 CD1 ILE A 128 9.321 12.490 2.461 1.00 0.00 C ATOM 0 H ILE A 128 6.897 11.160 -1.257 1.00 0.00 H new ATOM 0 HA ILE A 128 9.506 11.806 0.015 1.00 0.00 H new ATOM 0 HB ILE A 128 7.281 10.033 0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 128 7.287 12.370 1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 128 7.654 11.268 3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 128 8.701 9.057 2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 128 9.126 8.578 0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 128 10.124 9.772 1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 128 9.088 13.272 3.183 1.00 0.00 H new ATOM 0 HD12 ILE A 128 10.076 11.824 2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 128 9.703 12.943 1.546 1.00 0.00 H new ATOM 1558 N PRO A 129 10.453 10.150 -1.612 1.00 0.00 N ATOM 1559 CA PRO A 129 11.018 9.207 -2.564 1.00 0.00 C ATOM 1560 C PRO A 129 11.210 7.816 -1.939 1.00 0.00 C ATOM 1561 O PRO A 129 11.253 7.693 -0.713 1.00 0.00 O ATOM 1562 CB PRO A 129 12.338 9.835 -3.000 1.00 0.00 C ATOM 1563 CG PRO A 129 12.734 10.817 -1.900 1.00 0.00 C ATOM 1564 CD PRO A 129 11.459 11.069 -1.107 1.00 0.00 C ATOM 0 HA PRO A 129 10.358 9.037 -3.415 1.00 0.00 H new ATOM 0 HB2 PRO A 129 13.105 9.072 -3.134 1.00 0.00 H new ATOM 0 HB3 PRO A 129 12.227 10.347 -3.956 1.00 0.00 H new ATOM 0 HG2 PRO A 129 13.516 10.401 -1.265 1.00 0.00 H new ATOM 0 HG3 PRO A 129 13.124 11.743 -2.322 1.00 0.00 H new ATOM 0 HD2 PRO A 129 11.629 10.907 -0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 129 11.131 12.102 -1.224 1.00 0.00 H new ATOM 1572 N PRO A 130 11.325 6.749 -2.749 1.00 0.00 N ATOM 1573 CA PRO A 130 11.393 5.386 -2.238 1.00 0.00 C ATOM 1574 C PRO A 130 12.688 5.062 -1.482 1.00 0.00 C ATOM 1575 O PRO A 130 12.749 4.034 -0.806 1.00 0.00 O ATOM 1576 CB PRO A 130 11.169 4.464 -3.437 1.00 0.00 C ATOM 1577 CG PRO A 130 11.522 5.330 -4.643 1.00 0.00 C ATOM 1578 CD PRO A 130 11.176 6.744 -4.193 1.00 0.00 C ATOM 0 HA PRO A 130 10.624 5.243 -1.479 1.00 0.00 H new ATOM 0 HB2 PRO A 130 11.802 3.579 -3.383 1.00 0.00 H new ATOM 0 HB3 PRO A 130 10.137 4.115 -3.485 1.00 0.00 H new ATOM 0 HG2 PRO A 130 12.577 5.241 -4.904 1.00 0.00 H new ATOM 0 HG3 PRO A 130 10.950 5.040 -5.524 1.00 0.00 H new ATOM 0 HD2 PRO A 130 11.839 7.475 -4.657 1.00 0.00 H new ATOM 0 HD3 PRO A 130 10.159 7.008 -4.482 1.00 0.00 H new ATOM 1586 N GLU A 131 13.712 5.903 -1.546 1.00 0.00 N ATOM 1587 CA GLU A 131 14.875 5.794 -0.668 1.00 0.00 C ATOM 1588 C GLU A 131 14.598 6.277 0.747 1.00 0.00 C ATOM 1589 O GLU A 131 15.308 5.879 1.667 1.00 0.00 O ATOM 1590 CB GLU A 131 16.019 6.589 -1.274 1.00 0.00 C ATOM 1591 CG GLU A 131 15.808 8.107 -1.317 1.00 0.00 C ATOM 1592 CD GLU A 131 16.501 8.760 -2.518 1.00 0.00 C ATOM 1593 OE1 GLU A 131 17.751 8.728 -2.611 1.00 0.00 O ATOM 1594 OE2 GLU A 131 15.808 9.277 -3.430 1.00 0.00 O ATOM 0 H GLU A 131 13.762 6.679 -2.206 1.00 0.00 H new ATOM 0 HA GLU A 131 15.134 4.738 -0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 131 16.926 6.380 -0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 131 16.190 6.233 -2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 131 14.740 8.322 -1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 131 16.188 8.550 -0.397 1.00 0.00 H new ATOM 1602 N LEU A 132 13.583 7.125 0.928 1.00 0.00 N ATOM 1603 CA LEU A 132 13.312 7.785 2.201 1.00 0.00 C ATOM 1604 C LEU A 132 12.109 7.171 2.933 1.00 0.00 C ATOM 1605 O LEU A 132 11.676 7.657 3.979 1.00 0.00 O ATOM 1606 CB LEU A 132 13.101 9.293 1.992 1.00 0.00 C ATOM 1607 CG LEU A 132 14.385 10.123 1.799 1.00 0.00 C ATOM 1608 CD1 LEU A 132 14.069 11.615 1.640 1.00 0.00 C ATOM 1609 CD2 LEU A 132 15.346 10.000 2.982 1.00 0.00 C ATOM 0 H LEU A 132 12.924 7.372 0.190 1.00 0.00 H new ATOM 0 HA LEU A 132 14.186 7.631 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 132 12.463 9.435 1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 132 12.559 9.689 2.851 1.00 0.00 H new ATOM 0 HG LEU A 132 14.850 9.722 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 132 14.997 12.171 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 132 13.429 11.761 0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 132 13.556 11.975 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 132 16.234 10.604 2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 132 14.853 10.351 3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 132 15.637 8.957 3.107 1.00 0.00 H new ATOM 1621 N TRP A 133 11.553 6.104 2.369 1.00 0.00 N ATOM 1622 CA TRP A 133 10.557 5.237 3.010 1.00 0.00 C ATOM 1623 C TRP A 133 11.119 3.837 3.273 1.00 0.00 C ATOM 1624 O TRP A 133 10.365 2.951 3.677 1.00 0.00 O ATOM 1625 CB TRP A 133 9.251 5.242 2.195 1.00 0.00 C ATOM 1626 CG TRP A 133 8.973 4.004 1.399 1.00 0.00 C ATOM 1627 CD1 TRP A 133 9.756 3.500 0.426 1.00 0.00 C ATOM 1628 CD2 TRP A 133 7.900 3.040 1.572 1.00 0.00 C ATOM 1629 NE1 TRP A 133 9.239 2.306 -0.035 1.00 0.00 N ATOM 1630 CE2 TRP A 133 8.085 1.976 0.640 1.00 0.00 C ATOM 1631 CE3 TRP A 133 6.739 3.021 2.367 1.00 0.00 C ATOM 1632 CZ2 TRP A 133 7.172 0.923 0.521 1.00 0.00 C ATOM 1633 CZ3 TRP A 133 5.812 1.968 2.252 1.00 0.00 C ATOM 1634 CH2 TRP A 133 6.028 0.926 1.331 1.00 0.00 C ATOM 0 H TRP A 133 11.787 5.805 1.422 1.00 0.00 H new ATOM 0 HA TRP A 133 10.312 5.634 3.995 1.00 0.00 H new ATOM 0 HB2 TRP A 133 8.419 5.405 2.880 1.00 0.00 H new ATOM 0 HB3 TRP A 133 9.274 6.092 1.513 1.00 0.00 H new ATOM 0 HD1 TRP A 133 10.660 3.964 0.059 1.00 0.00 H new ATOM 0 HE1 TRP A 133 9.656 1.743 -0.777 1.00 0.00 H new ATOM 0 HE3 TRP A 133 6.558 3.820 3.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.345 0.122 -0.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 4.929 1.960 2.874 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.309 0.125 1.248 1.00 0.00 H new ATOM 1645 N ASP A 134 12.415 3.656 2.992 1.00 0.00 N ATOM 1646 CA ASP A 134 13.203 2.432 2.982 1.00 0.00 C ATOM 1647 C ASP A 134 12.692 1.398 3.991 1.00 0.00 C ATOM 1648 O ASP A 134 12.984 1.516 5.178 1.00 0.00 O ATOM 1649 CB ASP A 134 14.698 2.759 3.136 1.00 0.00 C ATOM 1650 CG ASP A 134 15.100 3.479 4.418 1.00 0.00 C ATOM 1651 OD1 ASP A 134 14.572 4.574 4.708 1.00 0.00 O ATOM 1652 OD2 ASP A 134 16.046 3.002 5.082 1.00 0.00 O ATOM 0 H ASP A 134 12.994 4.456 2.739 1.00 0.00 H new ATOM 0 HA ASP A 134 13.080 1.952 2.011 1.00 0.00 H new ATOM 0 HB2 ASP A 134 15.261 1.827 3.075 1.00 0.00 H new ATOM 0 HB3 ASP A 134 15.004 3.372 2.288 1.00 0.00 H new ATOM 1658 N PRO A 135 11.849 0.436 3.554 1.00 0.00 N ATOM 1659 CA PRO A 135 11.113 -0.410 4.480 1.00 0.00 C ATOM 1660 C PRO A 135 11.987 -1.582 4.945 1.00 0.00 C ATOM 1661 O PRO A 135 12.114 -1.847 6.139 1.00 0.00 O ATOM 1662 CB PRO A 135 9.886 -0.885 3.701 1.00 0.00 C ATOM 1663 CG PRO A 135 10.310 -0.841 2.240 1.00 0.00 C ATOM 1664 CD PRO A 135 11.344 0.276 2.195 1.00 0.00 C ATOM 0 HA PRO A 135 10.819 0.120 5.386 1.00 0.00 H new ATOM 0 HB2 PRO A 135 9.595 -1.893 3.998 1.00 0.00 H new ATOM 0 HB3 PRO A 135 9.028 -0.239 3.883 1.00 0.00 H new ATOM 0 HG2 PRO A 135 10.734 -1.792 1.918 1.00 0.00 H new ATOM 0 HG3 PRO A 135 9.465 -0.631 1.584 1.00 0.00 H new ATOM 0 HD2 PRO A 135 12.153 0.027 1.509 1.00 0.00 H new ATOM 0 HD3 PRO A 135 10.897 1.203 1.837 1.00 0.00 H new ATOM 1672 N GLY A 136 12.623 -2.281 3.998 1.00 0.00 N ATOM 1673 CA GLY A 136 13.758 -3.152 4.245 1.00 0.00 C ATOM 1674 C GLY A 136 14.520 -3.231 2.937 1.00 0.00 C ATOM 1675 O GLY A 136 14.319 -4.169 2.173 1.00 0.00 O ATOM 0 H GLY A 136 12.349 -2.250 3.016 1.00 0.00 H new ATOM 0 HA2 GLY A 136 14.389 -2.754 5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 136 13.428 -4.141 4.564 1.00 0.00 H new ATOM 1679 N ILE A 137 15.299 -2.199 2.597 1.00 0.00 N ATOM 1680 CA ILE A 137 16.050 -2.197 1.344 1.00 0.00 C ATOM 1681 C ILE A 137 17.272 -3.098 1.550 1.00 0.00 C ATOM 1682 O ILE A 137 18.361 -2.596 1.822 1.00 0.00 O ATOM 1683 CB ILE A 137 16.420 -0.765 0.870 1.00 0.00 C ATOM 1684 CG1 ILE A 137 15.167 0.125 0.698 1.00 0.00 C ATOM 1685 CG2 ILE A 137 17.150 -0.823 -0.486 1.00 0.00 C ATOM 1686 CD1 ILE A 137 15.487 1.542 0.185 1.00 0.00 C ATOM 0 H ILE A 137 15.423 -1.363 3.168 1.00 0.00 H new ATOM 0 HA ILE A 137 15.435 -2.589 0.534 1.00 0.00 H new ATOM 0 HB ILE A 137 17.063 -0.335 1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 137 14.480 -0.358 0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.651 0.201 1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 137 17.403 0.188 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 137 18.062 -1.411 -0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 137 16.501 -1.287 -1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 137 14.562 2.111 0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 137 16.149 2.043 0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 137 15.976 1.475 -0.787 1.00 0.00 H new ATOM 1698 N ASN A 138 17.105 -4.412 1.363 1.00 0.00 N ATOM 1699 CA ASN A 138 18.183 -5.410 1.372 1.00 0.00 C ATOM 1700 C ASN A 138 19.099 -5.266 2.599 1.00 0.00 C ATOM 1701 O ASN A 138 20.323 -5.377 2.470 1.00 0.00 O ATOM 1702 CB ASN A 138 18.972 -5.333 0.047 1.00 0.00 C ATOM 1703 CG ASN A 138 18.193 -5.891 -1.127 1.00 0.00 C ATOM 1704 OD1 ASN A 138 18.093 -7.104 -1.274 1.00 0.00 O ATOM 1705 ND2 ASN A 138 17.693 -5.068 -2.028 1.00 0.00 N ATOM 0 H ASN A 138 16.187 -4.824 1.196 1.00 0.00 H new ATOM 0 HA ASN A 138 17.734 -6.400 1.452 1.00 0.00 H new ATOM 0 HB2 ASN A 138 19.234 -4.295 -0.156 1.00 0.00 H new ATOM 0 HB3 ASN A 138 19.907 -5.883 0.152 1.00 0.00 H new ATOM 0 HD21 ASN A 138 17.220 -5.440 -2.852 1.00 0.00 H new ATOM 0 HD22 ASN A 138 17.779 -4.060 -1.901 1.00 0.00 H new ATOM 1712 N ALA A 139 18.518 -4.970 3.765 1.00 0.00 N ATOM 1713 CA ALA A 139 19.212 -4.521 4.965 1.00 0.00 C ATOM 1714 C ALA A 139 18.845 -5.415 6.142 1.00 0.00 C ATOM 1715 O ALA A 139 18.340 -6.537 5.926 1.00 0.00 O ATOM 1716 CB ALA A 139 18.857 -3.045 5.217 1.00 0.00 C ATOM 0 H ALA A 139 17.509 -5.041 3.899 1.00 0.00 H new ATOM 0 HA ALA A 139 20.292 -4.594 4.836 1.00 0.00 H new ATOM 0 HB1 ALA A 139 19.370 -2.695 6.113 1.00 0.00 H new ATOM 0 HB2 ALA A 139 19.169 -2.445 4.362 1.00 0.00 H new ATOM 0 HB3 ALA A 139 17.780 -2.948 5.354 1.00 0.00 H new TER 1722 ALA A 139