USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1053 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 130 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 131 ASN : amide:sc= -1.01 K(o=-1,f=-2.5!) USER MOD Set 2.1: A 45 CYS SG : rot 134:sc= -2.77 USER MOD Set 2.2: A 69 CYS SG : rot 140:sc=-0.000921 USER MOD Set 3.1: A 34 GLN : amide:sc= 0.85 K(o=1.6,f=-0.029) USER MOD Set 3.2: A 37 GLN : amide:sc= 0.728 K(o=1.6,f=-0.65) USER MOD Set 4.1: A 21 CYS SG : rot -110:sc= -0.138 USER MOD Set 4.2: A 86 CYS SG : rot 69:sc= -1.7 USER MOD Single : A 10 MET CE :methyl 140:sc= -0.198 (180deg=-1.56!) USER MOD Single : A 19 CYS SG : rot 15:sc= 1.36 USER MOD Single : A 20 TYR OH : rot 165:sc= -1.23 USER MOD Single : A 23 SER OG : rot -110:sc= -0.971 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.674 F(o=-1.3,f=-0.67) USER MOD Single : A 31 MET CE :methyl 158:sc= -0.513 (180deg=-1.39!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.361 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -124:sc= -0.563 (180deg=-4.51!) USER MOD Single : A 77 SER OG : rot 92:sc= 0.201 USER MOD Single : A 80 TYR OH : rot -99:sc= -0.248 USER MOD Single : A 82 GLN :FLIP amide:sc= -1.05 F(o=-1.8,f=-1.1) USER MOD Single : A 83 SER OG : rot 180:sc=-0.00171 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -5.66! C(o=-5.7!,f=-12!) USER MOD Single : A 90 THR OG1 : rot 94:sc= 1.08 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -28:sc= 1 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN : amide:sc= -5.06! C(o=-5.1!,f=-15!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 170:sc= -0.414 (180deg=-0.736!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl 136:sc= -5.13! (180deg=-10.8!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 159:sc= -2.1 (180deg=-3.58!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 CYS SG : rot 66:sc= 0.743 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 CYS SG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 159:sc= -0.0283 (180deg=-0.282) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot -53:sc= 0.223 USER MOD ----------------------------------------------------------------- ATOM 19 N MET A 10 -6.912 -11.635 -12.740 1.00 0.00 N ATOM 20 CA MET A 10 -6.561 -11.823 -11.331 1.00 0.00 C ATOM 21 C MET A 10 -5.843 -13.155 -11.102 1.00 0.00 C ATOM 22 O MET A 10 -6.481 -14.204 -11.011 1.00 0.00 O ATOM 23 CB MET A 10 -7.823 -11.760 -10.464 1.00 0.00 C ATOM 24 CG MET A 10 -7.543 -11.816 -8.971 1.00 0.00 C ATOM 25 SD MET A 10 -8.917 -12.515 -8.035 1.00 0.00 S ATOM 26 CE MET A 10 -9.780 -11.026 -7.539 1.00 0.00 C ATOM 0 HA MET A 10 -5.880 -11.020 -11.048 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.362 -10.840 -10.689 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.479 -12.588 -10.733 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.647 -12.412 -8.795 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.334 -10.810 -8.606 1.00 0.00 H new ATOM 0 HE1 MET A 10 -10.855 -11.186 -7.616 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.522 -10.782 -6.508 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.488 -10.202 -8.191 1.00 0.00 H new ATOM 36 N PRO A 11 -4.500 -13.131 -11.003 1.00 0.00 N ATOM 37 CA PRO A 11 -3.704 -14.343 -10.782 1.00 0.00 C ATOM 38 C PRO A 11 -3.855 -14.886 -9.364 1.00 0.00 C ATOM 39 O PRO A 11 -4.742 -14.467 -8.619 1.00 0.00 O ATOM 40 CB PRO A 11 -2.268 -13.869 -11.020 1.00 0.00 C ATOM 41 CG PRO A 11 -2.293 -12.419 -10.687 1.00 0.00 C ATOM 42 CD PRO A 11 -3.654 -11.924 -11.095 1.00 0.00 C ATOM 0 HA PRO A 11 -4.014 -15.159 -11.434 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.562 -14.409 -10.389 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.962 -14.034 -12.053 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.123 -12.260 -9.622 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.507 -11.883 -11.219 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.009 -11.134 -10.434 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.646 -11.515 -12.105 1.00 0.00 H new ATOM 50 N GLU A 12 -2.984 -15.822 -8.997 1.00 0.00 N ATOM 51 CA GLU A 12 -3.020 -16.421 -7.668 1.00 0.00 C ATOM 52 C GLU A 12 -1.958 -15.804 -6.763 1.00 0.00 C ATOM 53 O GLU A 12 -2.143 -15.704 -5.551 1.00 0.00 O ATOM 54 CB GLU A 12 -2.811 -17.934 -7.764 1.00 0.00 C ATOM 55 CG GLU A 12 -4.108 -18.722 -7.857 1.00 0.00 C ATOM 56 CD GLU A 12 -4.144 -19.903 -6.906 1.00 0.00 C ATOM 57 OE1 GLU A 12 -3.510 -19.823 -5.834 1.00 0.00 O ATOM 58 OE2 GLU A 12 -4.808 -20.909 -7.236 1.00 0.00 O ATOM 0 H GLU A 12 -2.245 -16.181 -9.602 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.000 -16.223 -7.233 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.199 -18.153 -8.639 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.252 -18.271 -6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.947 -18.060 -7.640 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.239 -19.079 -8.878 1.00 0.00 H new ATOM 65 N ARG A 13 -0.844 -15.391 -7.362 1.00 0.00 N ATOM 66 CA ARG A 13 0.248 -14.783 -6.610 1.00 0.00 C ATOM 67 C ARG A 13 0.334 -13.287 -6.896 1.00 0.00 C ATOM 68 O ARG A 13 0.391 -12.869 -8.053 1.00 0.00 O ATOM 69 CB ARG A 13 1.574 -15.459 -6.960 1.00 0.00 C ATOM 70 CG ARG A 13 1.509 -16.977 -6.939 1.00 0.00 C ATOM 71 CD ARG A 13 1.000 -17.532 -8.261 1.00 0.00 C ATOM 72 NE ARG A 13 1.308 -18.952 -8.414 1.00 0.00 N ATOM 73 CZ ARG A 13 0.693 -19.755 -9.280 1.00 0.00 C ATOM 74 NH1 ARG A 13 -0.266 -19.284 -10.068 1.00 0.00 N ATOM 75 NH2 ARG A 13 1.038 -21.034 -9.355 1.00 0.00 N ATOM 0 H ARG A 13 -0.675 -15.467 -8.365 1.00 0.00 H new ATOM 0 HA ARG A 13 0.048 -14.922 -5.547 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.889 -15.131 -7.951 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.338 -15.127 -6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.499 -17.382 -6.731 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.855 -17.303 -6.130 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.078 -17.386 -8.324 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.446 -16.974 -9.084 1.00 0.00 H new ATOM 0 HE ARG A 13 2.037 -19.352 -7.823 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.536 -18.302 -10.012 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.733 -19.904 -10.729 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.773 -21.400 -8.750 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.568 -21.651 -10.018 1.00 0.00 H new ATOM 89 N PHE A 14 0.340 -12.484 -5.836 1.00 0.00 N ATOM 90 CA PHE A 14 0.416 -11.034 -5.978 1.00 0.00 C ATOM 91 C PHE A 14 1.628 -10.475 -5.242 1.00 0.00 C ATOM 92 O PHE A 14 2.321 -11.198 -4.524 1.00 0.00 O ATOM 93 CB PHE A 14 -0.862 -10.383 -5.448 1.00 0.00 C ATOM 94 CG PHE A 14 -2.056 -10.608 -6.330 1.00 0.00 C ATOM 95 CD1 PHE A 14 -2.228 -9.863 -7.485 1.00 0.00 C ATOM 96 CD2 PHE A 14 -3.006 -11.562 -6.004 1.00 0.00 C ATOM 97 CE1 PHE A 14 -3.326 -10.066 -8.299 1.00 0.00 C ATOM 98 CE2 PHE A 14 -4.106 -11.770 -6.814 1.00 0.00 C ATOM 99 CZ PHE A 14 -4.266 -11.020 -7.963 1.00 0.00 C ATOM 0 H PHE A 14 0.293 -12.812 -4.871 1.00 0.00 H new ATOM 0 HA PHE A 14 0.522 -10.804 -7.038 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.075 -10.775 -4.454 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.697 -9.311 -5.339 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.496 -9.115 -7.752 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.886 -12.150 -5.106 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.449 -9.479 -9.197 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.839 -12.517 -6.549 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.125 -11.180 -8.598 1.00 0.00 H new ATOM 109 N ASP A 15 1.880 -9.183 -5.426 1.00 0.00 N ATOM 110 CA ASP A 15 3.010 -8.524 -4.782 1.00 0.00 C ATOM 111 C ASP A 15 2.563 -7.778 -3.528 1.00 0.00 C ATOM 112 O ASP A 15 2.954 -8.127 -2.415 1.00 0.00 O ATOM 113 CB ASP A 15 3.687 -7.557 -5.756 1.00 0.00 C ATOM 114 CG ASP A 15 5.148 -7.896 -5.988 1.00 0.00 C ATOM 115 OD1 ASP A 15 5.788 -8.427 -5.055 1.00 0.00 O ATOM 116 OD2 ASP A 15 5.650 -7.631 -7.099 1.00 0.00 O ATOM 0 H ASP A 15 1.316 -8.571 -6.016 1.00 0.00 H new ATOM 0 HA ASP A 15 3.727 -9.291 -4.488 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.157 -7.575 -6.708 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.610 -6.541 -5.368 1.00 0.00 H new ATOM 121 N ALA A 16 1.743 -6.748 -3.715 1.00 0.00 N ATOM 122 CA ALA A 16 1.249 -5.956 -2.595 1.00 0.00 C ATOM 123 C ALA A 16 -0.190 -5.507 -2.819 1.00 0.00 C ATOM 124 O ALA A 16 -0.751 -5.691 -3.899 1.00 0.00 O ATOM 125 CB ALA A 16 2.142 -4.744 -2.366 1.00 0.00 C ATOM 0 H ALA A 16 1.408 -6.443 -4.629 1.00 0.00 H new ATOM 0 HA ALA A 16 1.271 -6.590 -1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.759 -4.163 -1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.156 -5.076 -2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.150 -4.124 -3.262 1.00 0.00 H new ATOM 131 N PHE A 17 -0.775 -4.904 -1.791 1.00 0.00 N ATOM 132 CA PHE A 17 -2.143 -4.410 -1.867 1.00 0.00 C ATOM 133 C PHE A 17 -2.177 -2.903 -1.633 1.00 0.00 C ATOM 134 O PHE A 17 -1.301 -2.350 -0.968 1.00 0.00 O ATOM 135 CB PHE A 17 -3.027 -5.123 -0.844 1.00 0.00 C ATOM 136 CG PHE A 17 -4.462 -4.678 -0.875 1.00 0.00 C ATOM 137 CD1 PHE A 17 -4.888 -3.614 -0.095 1.00 0.00 C ATOM 138 CD2 PHE A 17 -5.384 -5.323 -1.684 1.00 0.00 C ATOM 139 CE1 PHE A 17 -6.207 -3.202 -0.121 1.00 0.00 C ATOM 140 CE2 PHE A 17 -6.704 -4.915 -1.715 1.00 0.00 C ATOM 141 CZ PHE A 17 -7.116 -3.854 -0.932 1.00 0.00 C ATOM 0 H PHE A 17 -0.320 -4.745 -0.892 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.529 -4.618 -2.865 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.984 -6.197 -1.025 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.624 -4.952 0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.181 -3.101 0.540 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.067 -6.154 -2.297 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.527 -2.372 0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.413 -5.425 -2.351 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.147 -3.535 -0.954 1.00 0.00 H new ATOM 151 N ILE A 18 -3.186 -2.243 -2.188 1.00 0.00 N ATOM 152 CA ILE A 18 -3.323 -0.799 -2.045 1.00 0.00 C ATOM 153 C ILE A 18 -4.500 -0.438 -1.144 1.00 0.00 C ATOM 154 O ILE A 18 -5.653 -0.725 -1.466 1.00 0.00 O ATOM 155 CB ILE A 18 -3.511 -0.115 -3.416 1.00 0.00 C ATOM 156 CG1 ILE A 18 -2.323 -0.422 -4.332 1.00 0.00 C ATOM 157 CG2 ILE A 18 -3.684 1.390 -3.250 1.00 0.00 C ATOM 158 CD1 ILE A 18 -1.033 0.241 -3.902 1.00 0.00 C ATOM 0 H ILE A 18 -3.921 -2.684 -2.741 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.401 -0.440 -1.588 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.416 -0.512 -3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.172 -1.501 -4.366 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.565 -0.101 -5.345 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.815 1.851 -4.229 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.561 1.590 -2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.800 1.807 -2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.238 -0.023 -4.599 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.165 1.323 -3.895 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.766 -0.098 -2.901 1.00 0.00 H new ATOM 170 N CYS A 19 -4.200 0.208 -0.022 1.00 0.00 N ATOM 171 CA CYS A 19 -5.232 0.626 0.916 1.00 0.00 C ATOM 172 C CYS A 19 -5.385 2.143 0.880 1.00 0.00 C ATOM 173 O CYS A 19 -4.628 2.869 1.526 1.00 0.00 O ATOM 174 CB CYS A 19 -4.883 0.170 2.334 1.00 0.00 C ATOM 175 SG CYS A 19 -5.042 -1.614 2.594 1.00 0.00 S ATOM 0 H CYS A 19 -3.250 0.453 0.259 1.00 0.00 H new ATOM 0 HA CYS A 19 -6.175 0.164 0.624 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.860 0.470 2.559 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.530 0.689 3.041 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.131 -2.214 1.444 1.00 0.00 H new ATOM 181 N TYR A 20 -6.357 2.618 0.109 1.00 0.00 N ATOM 182 CA TYR A 20 -6.592 4.051 -0.021 1.00 0.00 C ATOM 183 C TYR A 20 -8.041 4.413 0.289 1.00 0.00 C ATOM 184 O TYR A 20 -8.883 3.540 0.495 1.00 0.00 O ATOM 185 CB TYR A 20 -6.222 4.526 -1.431 1.00 0.00 C ATOM 186 CG TYR A 20 -6.823 3.697 -2.548 1.00 0.00 C ATOM 187 CD1 TYR A 20 -8.177 3.373 -2.565 1.00 0.00 C ATOM 188 CD2 TYR A 20 -6.032 3.241 -3.596 1.00 0.00 C ATOM 189 CE1 TYR A 20 -8.719 2.621 -3.590 1.00 0.00 C ATOM 190 CE2 TYR A 20 -6.568 2.490 -4.624 1.00 0.00 C ATOM 191 CZ TYR A 20 -7.912 2.183 -4.615 1.00 0.00 C ATOM 192 OH TYR A 20 -8.450 1.437 -5.639 1.00 0.00 O ATOM 0 H TYR A 20 -6.993 2.034 -0.434 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.957 4.556 0.707 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.544 5.561 -1.549 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.137 4.517 -1.531 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -8.815 3.715 -1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.978 3.478 -3.607 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -9.771 2.378 -3.587 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.938 2.145 -5.430 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.821 1.411 -6.390 1.00 0.00 H new ATOM 202 N CYS A 21 -8.318 5.712 0.309 1.00 0.00 N ATOM 203 CA CYS A 21 -9.659 6.212 0.584 1.00 0.00 C ATOM 204 C CYS A 21 -10.255 6.860 -0.664 1.00 0.00 C ATOM 205 O CYS A 21 -9.524 7.354 -1.524 1.00 0.00 O ATOM 206 CB CYS A 21 -9.627 7.221 1.734 1.00 0.00 C ATOM 207 SG CYS A 21 -9.886 6.489 3.366 1.00 0.00 S ATOM 0 H CYS A 21 -7.626 6.442 0.137 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.286 5.369 0.874 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.665 7.734 1.726 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -10.393 7.977 1.561 1.00 0.00 H new ATOM 0 HG CYS A 21 -11.046 6.854 3.826 1.00 0.00 H new ATOM 213 N PRO A 22 -11.594 6.865 -0.784 1.00 0.00 N ATOM 214 CA PRO A 22 -12.281 7.454 -1.940 1.00 0.00 C ATOM 215 C PRO A 22 -12.207 8.982 -1.970 1.00 0.00 C ATOM 216 O PRO A 22 -12.757 9.615 -2.871 1.00 0.00 O ATOM 217 CB PRO A 22 -13.730 6.997 -1.759 1.00 0.00 C ATOM 218 CG PRO A 22 -13.877 6.782 -0.292 1.00 0.00 C ATOM 219 CD PRO A 22 -12.539 6.294 0.191 1.00 0.00 C ATOM 0 HA PRO A 22 -11.825 7.138 -2.878 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -14.431 7.749 -2.121 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.929 6.081 -2.316 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.160 7.706 0.211 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.658 6.052 -0.081 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.328 6.638 1.204 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.490 5.205 0.207 1.00 0.00 H new ATOM 227 N SER A 23 -11.527 9.572 -0.989 1.00 0.00 N ATOM 228 CA SER A 23 -11.390 11.022 -0.923 1.00 0.00 C ATOM 229 C SER A 23 -10.363 11.512 -1.935 1.00 0.00 C ATOM 230 O SER A 23 -10.512 12.585 -2.521 1.00 0.00 O ATOM 231 CB SER A 23 -10.979 11.454 0.484 1.00 0.00 C ATOM 232 OG SER A 23 -9.593 11.246 0.696 1.00 0.00 O ATOM 0 H SER A 23 -11.064 9.069 -0.232 1.00 0.00 H new ATOM 0 HA SER A 23 -12.356 11.466 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.218 12.507 0.629 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.552 10.892 1.222 1.00 0.00 H new ATOM 0 HG SER A 23 -9.466 10.512 1.333 1.00 0.00 H new ATOM 238 N ASP A 24 -9.318 10.716 -2.137 1.00 0.00 N ATOM 239 CA ASP A 24 -8.264 11.065 -3.079 1.00 0.00 C ATOM 240 C ASP A 24 -7.632 9.813 -3.679 1.00 0.00 C ATOM 241 O ASP A 24 -6.411 9.660 -3.685 1.00 0.00 O ATOM 242 CB ASP A 24 -7.194 11.914 -2.386 1.00 0.00 C ATOM 243 CG ASP A 24 -6.409 12.765 -3.367 1.00 0.00 C ATOM 244 OD1 ASP A 24 -7.033 13.357 -4.272 1.00 0.00 O ATOM 245 OD2 ASP A 24 -5.171 12.840 -3.229 1.00 0.00 O ATOM 0 H ASP A 24 -9.180 9.825 -1.660 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.709 11.645 -3.888 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.668 12.560 -1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.509 11.261 -1.846 1.00 0.00 H new ATOM 250 N ILE A 25 -8.475 8.918 -4.182 1.00 0.00 N ATOM 251 CA ILE A 25 -8.004 7.678 -4.785 1.00 0.00 C ATOM 252 C ILE A 25 -7.348 7.938 -6.139 1.00 0.00 C ATOM 253 O ILE A 25 -6.329 7.334 -6.472 1.00 0.00 O ATOM 254 CB ILE A 25 -9.158 6.667 -4.959 1.00 0.00 C ATOM 255 CG1 ILE A 25 -8.608 5.250 -5.150 1.00 0.00 C ATOM 256 CG2 ILE A 25 -10.054 7.063 -6.127 1.00 0.00 C ATOM 257 CD1 ILE A 25 -7.896 5.037 -6.470 1.00 0.00 C ATOM 0 H ILE A 25 -9.489 9.029 -4.184 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.263 7.254 -4.108 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.762 6.679 -4.052 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.918 5.027 -4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.431 4.539 -5.074 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.860 6.336 -6.230 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.477 8.050 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.466 7.086 -7.045 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.536 4.010 -6.528 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.587 5.226 -7.291 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.051 5.722 -6.542 1.00 0.00 H new ATOM 269 N GLN A 26 -7.946 8.840 -6.916 1.00 0.00 N ATOM 270 CA GLN A 26 -7.428 9.185 -8.239 1.00 0.00 C ATOM 271 C GLN A 26 -5.918 9.395 -8.204 1.00 0.00 C ATOM 272 O GLN A 26 -5.193 8.917 -9.076 1.00 0.00 O ATOM 273 CB GLN A 26 -8.116 10.447 -8.762 1.00 0.00 C ATOM 274 CG GLN A 26 -9.621 10.302 -8.920 1.00 0.00 C ATOM 275 CD GLN A 26 -10.342 11.634 -8.872 1.00 0.00 C ATOM 276 OE1 GLN A 26 -10.451 12.331 -9.880 1.00 0.00 O ATOM 277 NE2 GLN A 26 -10.840 11.996 -7.694 1.00 0.00 N ATOM 0 H GLN A 26 -8.791 9.346 -6.651 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.641 8.353 -8.910 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.909 11.272 -8.080 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.682 10.714 -9.726 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.837 9.810 -9.868 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.005 9.656 -8.130 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.727 11.387 -6.884 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.336 12.883 -7.601 1.00 0.00 H new ATOM 286 N PHE A 27 -5.456 10.110 -7.188 1.00 0.00 N ATOM 287 CA PHE A 27 -4.032 10.383 -7.033 1.00 0.00 C ATOM 288 C PHE A 27 -3.266 9.100 -6.735 1.00 0.00 C ATOM 289 O PHE A 27 -2.221 8.835 -7.332 1.00 0.00 O ATOM 290 CB PHE A 27 -3.804 11.400 -5.912 1.00 0.00 C ATOM 291 CG PHE A 27 -2.385 11.889 -5.827 1.00 0.00 C ATOM 292 CD1 PHE A 27 -1.899 12.807 -6.743 1.00 0.00 C ATOM 293 CD2 PHE A 27 -1.539 11.428 -4.830 1.00 0.00 C ATOM 294 CE1 PHE A 27 -0.595 13.258 -6.668 1.00 0.00 C ATOM 295 CE2 PHE A 27 -0.234 11.875 -4.751 1.00 0.00 C ATOM 296 CZ PHE A 27 0.238 12.791 -5.670 1.00 0.00 C ATOM 0 H PHE A 27 -6.045 10.512 -6.459 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.662 10.799 -7.970 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.465 12.253 -6.065 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.082 10.948 -4.960 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.547 13.175 -7.525 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.904 10.712 -4.108 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.228 13.974 -7.388 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.416 11.508 -3.971 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.258 13.142 -5.609 1.00 0.00 H new ATOM 306 N VAL A 28 -3.791 8.306 -5.811 1.00 0.00 N ATOM 307 CA VAL A 28 -3.160 7.049 -5.434 1.00 0.00 C ATOM 308 C VAL A 28 -3.038 6.117 -6.635 1.00 0.00 C ATOM 309 O VAL A 28 -1.945 5.668 -6.973 1.00 0.00 O ATOM 310 CB VAL A 28 -3.947 6.332 -4.322 1.00 0.00 C ATOM 311 CG1 VAL A 28 -3.144 5.166 -3.764 1.00 0.00 C ATOM 312 CG2 VAL A 28 -4.323 7.308 -3.217 1.00 0.00 C ATOM 0 H VAL A 28 -4.654 8.511 -5.308 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.166 7.295 -5.061 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.867 5.936 -4.753 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.717 4.672 -2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.933 4.454 -4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.206 5.535 -3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.879 6.782 -2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.418 7.738 -2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.942 8.104 -3.630 1.00 0.00 H new ATOM 322 N GLN A 29 -4.168 5.833 -7.277 1.00 0.00 N ATOM 323 CA GLN A 29 -4.191 4.959 -8.438 1.00 0.00 C ATOM 324 C GLN A 29 -3.155 5.391 -9.471 1.00 0.00 C ATOM 325 O GLN A 29 -2.515 4.554 -10.108 1.00 0.00 O ATOM 326 CB GLN A 29 -5.587 4.951 -9.060 1.00 0.00 C ATOM 327 CG GLN A 29 -6.056 6.318 -9.532 1.00 0.00 C ATOM 328 CD GLN A 29 -7.238 6.231 -10.478 1.00 0.00 C ATOM 329 OE1 GLN A 29 -8.442 6.396 -9.940 1.00 0.00 O flip ATOM 330 NE2 GLN A 29 -7.071 6.019 -11.680 1.00 0.00 N flip ATOM 0 H GLN A 29 -5.081 6.199 -7.009 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.940 3.950 -8.111 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.594 4.263 -9.905 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.298 4.566 -8.329 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.330 6.923 -8.668 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.232 6.829 -10.031 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.128 5.898 -12.050 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.875 5.964 -12.305 1.00 0.00 H new ATOM 339 N GLU A 30 -2.987 6.701 -9.627 1.00 0.00 N ATOM 340 CA GLU A 30 -2.021 7.238 -10.576 1.00 0.00 C ATOM 341 C GLU A 30 -0.610 6.787 -10.208 1.00 0.00 C ATOM 342 O GLU A 30 0.183 6.411 -11.072 1.00 0.00 O ATOM 343 CB GLU A 30 -2.093 8.766 -10.608 1.00 0.00 C ATOM 344 CG GLU A 30 -2.827 9.315 -11.820 1.00 0.00 C ATOM 345 CD GLU A 30 -4.228 9.792 -11.489 1.00 0.00 C ATOM 346 OE1 GLU A 30 -4.361 10.707 -10.650 1.00 0.00 O ATOM 347 OE2 GLU A 30 -5.192 9.249 -12.069 1.00 0.00 O ATOM 0 H GLU A 30 -3.507 7.408 -9.108 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.265 6.857 -11.568 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.589 9.117 -9.703 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.081 9.170 -10.593 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.256 10.142 -12.242 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.882 8.542 -12.587 1.00 0.00 H new ATOM 354 N MET A 31 -0.311 6.818 -8.915 1.00 0.00 N ATOM 355 CA MET A 31 0.996 6.405 -8.424 1.00 0.00 C ATOM 356 C MET A 31 1.164 4.895 -8.566 1.00 0.00 C ATOM 357 O MET A 31 2.200 4.416 -9.025 1.00 0.00 O ATOM 358 CB MET A 31 1.164 6.821 -6.959 1.00 0.00 C ATOM 359 CG MET A 31 2.404 6.244 -6.292 1.00 0.00 C ATOM 360 SD MET A 31 2.504 6.655 -4.539 1.00 0.00 S ATOM 361 CE MET A 31 0.841 6.261 -4.002 1.00 0.00 C ATOM 0 H MET A 31 -0.957 7.125 -8.188 1.00 0.00 H new ATOM 0 HA MET A 31 1.764 6.897 -9.020 1.00 0.00 H new ATOM 0 HB2 MET A 31 1.206 7.909 -6.903 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.283 6.507 -6.399 1.00 0.00 H new ATOM 0 HG2 MET A 31 2.403 5.160 -6.408 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.293 6.618 -6.800 1.00 0.00 H new ATOM 0 HE1 MET A 31 0.839 6.082 -2.927 1.00 0.00 H new ATOM 0 HE2 MET A 31 0.177 7.094 -4.233 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.494 5.366 -4.519 1.00 0.00 H new ATOM 371 N ILE A 32 0.136 4.153 -8.168 1.00 0.00 N ATOM 372 CA ILE A 32 0.166 2.699 -8.249 1.00 0.00 C ATOM 373 C ILE A 32 0.336 2.227 -9.689 1.00 0.00 C ATOM 374 O ILE A 32 1.267 1.484 -10.001 1.00 0.00 O ATOM 375 CB ILE A 32 -1.119 2.078 -7.658 1.00 0.00 C ATOM 376 CG1 ILE A 32 -1.379 2.610 -6.243 1.00 0.00 C ATOM 377 CG2 ILE A 32 -1.023 0.557 -7.650 1.00 0.00 C ATOM 378 CD1 ILE A 32 -0.129 2.768 -5.403 1.00 0.00 C ATOM 0 H ILE A 32 -0.729 4.536 -7.786 1.00 0.00 H new ATOM 0 HA ILE A 32 1.023 2.367 -7.663 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.959 2.367 -8.289 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.880 3.576 -6.316 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.064 1.933 -5.732 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.937 0.137 -7.230 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.892 0.195 -8.670 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.171 0.249 -7.044 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.398 3.148 -4.418 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.363 1.801 -5.297 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.550 3.469 -5.889 1.00 0.00 H new ATOM 390 N ARG A 33 -0.565 2.660 -10.568 1.00 0.00 N ATOM 391 CA ARG A 33 -0.508 2.280 -11.970 1.00 0.00 C ATOM 392 C ARG A 33 0.856 2.613 -12.567 1.00 0.00 C ATOM 393 O ARG A 33 1.373 1.877 -13.411 1.00 0.00 O ATOM 394 CB ARG A 33 -1.615 2.987 -12.750 1.00 0.00 C ATOM 395 CG ARG A 33 -1.554 4.503 -12.658 1.00 0.00 C ATOM 396 CD ARG A 33 -0.830 5.108 -13.851 1.00 0.00 C ATOM 397 NE ARG A 33 -1.568 6.230 -14.427 1.00 0.00 N ATOM 398 CZ ARG A 33 -2.672 6.094 -15.157 1.00 0.00 C ATOM 399 NH1 ARG A 33 -3.166 4.887 -15.407 1.00 0.00 N ATOM 400 NH2 ARG A 33 -3.284 7.166 -15.638 1.00 0.00 N ATOM 0 H ARG A 33 -1.343 3.275 -10.330 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.657 1.203 -12.042 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.554 2.693 -13.798 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.582 2.648 -12.379 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.565 4.906 -12.603 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.045 4.792 -11.738 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.159 5.445 -13.542 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.682 4.342 -14.612 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.216 7.173 -14.260 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.699 4.058 -15.039 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.013 4.788 -15.967 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.909 8.095 -15.449 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.130 7.062 -16.198 1.00 0.00 H new ATOM 414 N GLN A 34 1.439 3.719 -12.116 1.00 0.00 N ATOM 415 CA GLN A 34 2.746 4.143 -12.598 1.00 0.00 C ATOM 416 C GLN A 34 3.850 3.302 -11.965 1.00 0.00 C ATOM 417 O GLN A 34 4.962 3.224 -12.488 1.00 0.00 O ATOM 418 CB GLN A 34 2.973 5.624 -12.286 1.00 0.00 C ATOM 419 CG GLN A 34 4.054 6.266 -13.141 1.00 0.00 C ATOM 420 CD GLN A 34 3.484 7.126 -14.250 1.00 0.00 C ATOM 421 OE1 GLN A 34 3.236 8.318 -14.064 1.00 0.00 O ATOM 422 NE2 GLN A 34 3.274 6.527 -15.416 1.00 0.00 N ATOM 0 H GLN A 34 1.026 4.337 -11.417 1.00 0.00 H new ATOM 0 HA GLN A 34 2.775 4.001 -13.678 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.038 6.165 -12.431 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.243 5.728 -11.235 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.699 6.876 -12.508 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.679 5.486 -13.576 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.493 5.537 -15.528 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.893 7.057 -16.200 1.00 0.00 H new ATOM 431 N LEU A 35 3.537 2.678 -10.833 1.00 0.00 N ATOM 432 CA LEU A 35 4.499 1.848 -10.128 1.00 0.00 C ATOM 433 C LEU A 35 4.529 0.434 -10.701 1.00 0.00 C ATOM 434 O LEU A 35 5.571 -0.221 -10.709 1.00 0.00 O ATOM 435 CB LEU A 35 4.156 1.797 -8.639 1.00 0.00 C ATOM 436 CG LEU A 35 4.596 3.018 -7.829 1.00 0.00 C ATOM 437 CD1 LEU A 35 4.038 2.950 -6.417 1.00 0.00 C ATOM 438 CD2 LEU A 35 6.112 3.120 -7.801 1.00 0.00 C ATOM 0 H LEU A 35 2.622 2.734 -10.386 1.00 0.00 H new ATOM 0 HA LEU A 35 5.487 2.291 -10.257 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.077 1.681 -8.534 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.616 0.909 -8.206 1.00 0.00 H new ATOM 0 HG LEU A 35 4.201 3.912 -8.311 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.361 3.827 -5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.949 2.926 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.403 2.049 -5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.407 3.994 -7.221 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.529 2.223 -7.343 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.489 3.216 -8.819 1.00 0.00 H new ATOM 450 N GLU A 36 3.379 -0.033 -11.175 1.00 0.00 N ATOM 451 CA GLU A 36 3.274 -1.372 -11.745 1.00 0.00 C ATOM 452 C GLU A 36 3.862 -1.420 -13.151 1.00 0.00 C ATOM 453 O GLU A 36 4.470 -2.414 -13.546 1.00 0.00 O ATOM 454 CB GLU A 36 1.814 -1.829 -11.774 1.00 0.00 C ATOM 455 CG GLU A 36 0.860 -0.782 -12.320 1.00 0.00 C ATOM 456 CD GLU A 36 -0.501 -1.354 -12.664 1.00 0.00 C ATOM 457 OE1 GLU A 36 -1.327 -1.515 -11.742 1.00 0.00 O ATOM 458 OE2 GLU A 36 -0.741 -1.641 -13.856 1.00 0.00 O ATOM 0 H GLU A 36 2.507 0.495 -11.176 1.00 0.00 H new ATOM 0 HA GLU A 36 3.846 -2.049 -11.111 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.736 -2.731 -12.381 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.506 -2.097 -10.763 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.740 0.013 -11.584 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.295 -0.329 -13.211 1.00 0.00 H new ATOM 465 N GLN A 37 3.675 -0.341 -13.903 1.00 0.00 N ATOM 466 CA GLN A 37 4.186 -0.264 -15.265 1.00 0.00 C ATOM 467 C GLN A 37 5.709 -0.122 -15.287 1.00 0.00 C ATOM 468 O GLN A 37 6.326 -0.175 -16.350 1.00 0.00 O ATOM 469 CB GLN A 37 3.541 0.912 -15.996 1.00 0.00 C ATOM 470 CG GLN A 37 3.682 2.237 -15.266 1.00 0.00 C ATOM 471 CD GLN A 37 4.426 3.277 -16.080 1.00 0.00 C ATOM 472 OE1 GLN A 37 3.814 4.136 -16.718 1.00 0.00 O ATOM 473 NE2 GLN A 37 5.752 3.206 -16.065 1.00 0.00 N ATOM 0 H GLN A 37 3.174 0.491 -13.592 1.00 0.00 H new ATOM 0 HA GLN A 37 3.930 -1.194 -15.773 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.989 1.003 -16.985 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.482 0.700 -16.144 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.691 2.617 -15.017 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.207 2.074 -14.325 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.218 2.478 -15.523 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.305 3.879 -16.596 1.00 0.00 H new ATOM 555 N LEU A 42 6.156 -5.638 -10.957 1.00 0.00 N ATOM 556 CA LEU A 42 5.385 -5.286 -9.771 1.00 0.00 C ATOM 557 C LEU A 42 3.897 -5.546 -9.990 1.00 0.00 C ATOM 558 O LEU A 42 3.335 -5.172 -11.019 1.00 0.00 O ATOM 559 CB LEU A 42 5.609 -3.816 -9.408 1.00 0.00 C ATOM 560 CG LEU A 42 5.142 -3.418 -8.004 1.00 0.00 C ATOM 561 CD1 LEU A 42 6.333 -3.097 -7.113 1.00 0.00 C ATOM 562 CD2 LEU A 42 4.192 -2.231 -8.073 1.00 0.00 C ATOM 0 HA LEU A 42 5.728 -5.913 -8.948 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.672 -3.593 -9.498 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.090 -3.194 -10.137 1.00 0.00 H new ATOM 0 HG LEU A 42 4.607 -4.262 -7.570 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.980 -2.817 -6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.976 -3.974 -7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.898 -2.270 -7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.871 -1.963 -7.066 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.702 -1.383 -8.529 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.321 -2.496 -8.673 1.00 0.00 H new ATOM 574 N LYS A 43 3.266 -6.188 -9.013 1.00 0.00 N ATOM 575 CA LYS A 43 1.844 -6.499 -9.093 1.00 0.00 C ATOM 576 C LYS A 43 1.116 -6.015 -7.842 1.00 0.00 C ATOM 577 O LYS A 43 1.135 -6.677 -6.804 1.00 0.00 O ATOM 578 CB LYS A 43 1.639 -8.004 -9.270 1.00 0.00 C ATOM 579 CG LYS A 43 2.544 -8.620 -10.326 1.00 0.00 C ATOM 580 CD LYS A 43 2.193 -8.122 -11.720 1.00 0.00 C ATOM 581 CE LYS A 43 3.435 -7.700 -12.490 1.00 0.00 C ATOM 582 NZ LYS A 43 4.101 -8.858 -13.149 1.00 0.00 N ATOM 0 H LYS A 43 3.718 -6.504 -8.155 1.00 0.00 H new ATOM 0 HA LYS A 43 1.429 -5.982 -9.958 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.816 -8.501 -8.316 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.600 -8.192 -9.539 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.583 -8.377 -10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.456 -9.706 -10.294 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.673 -8.908 -12.268 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.507 -7.279 -11.644 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.161 -6.962 -13.244 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.137 -7.217 -11.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.943 -8.528 -13.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.385 -9.551 -12.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.440 -9.304 -13.817 1.00 0.00 H new ATOM 596 N LEU A 44 0.477 -4.855 -7.948 1.00 0.00 N ATOM 597 CA LEU A 44 -0.252 -4.280 -6.824 1.00 0.00 C ATOM 598 C LEU A 44 -1.755 -4.493 -6.979 1.00 0.00 C ATOM 599 O LEU A 44 -2.254 -4.680 -8.088 1.00 0.00 O ATOM 600 CB LEU A 44 0.060 -2.788 -6.697 1.00 0.00 C ATOM 601 CG LEU A 44 1.254 -2.458 -5.801 1.00 0.00 C ATOM 602 CD1 LEU A 44 1.593 -0.978 -5.879 1.00 0.00 C ATOM 603 CD2 LEU A 44 0.967 -2.864 -4.367 1.00 0.00 C ATOM 0 H LEU A 44 0.449 -4.295 -8.800 1.00 0.00 H new ATOM 0 HA LEU A 44 0.071 -4.788 -5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.247 -2.384 -7.692 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.821 -2.279 -6.307 1.00 0.00 H new ATOM 0 HG LEU A 44 2.116 -3.023 -6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.445 -0.765 -5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.842 -0.715 -6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.735 -0.390 -5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.826 -2.623 -3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.092 -2.325 -4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.776 -3.936 -4.324 1.00 0.00 H new ATOM 615 N CYS A 45 -2.466 -4.468 -5.857 1.00 0.00 N ATOM 616 CA CYS A 45 -3.912 -4.662 -5.863 1.00 0.00 C ATOM 617 C CYS A 45 -4.625 -3.502 -5.179 1.00 0.00 C ATOM 618 O CYS A 45 -3.992 -2.649 -4.562 1.00 0.00 O ATOM 619 CB CYS A 45 -4.268 -5.973 -5.162 1.00 0.00 C ATOM 620 SG CYS A 45 -3.486 -7.445 -5.897 1.00 0.00 S ATOM 0 H CYS A 45 -2.065 -4.315 -4.932 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.243 -4.704 -6.901 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.975 -5.904 -4.114 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.350 -6.101 -5.182 1.00 0.00 H new ATOM 0 HG CYS A 45 -2.980 -8.184 -4.955 1.00 0.00 H new ATOM 625 N VAL A 46 -5.950 -3.481 -5.287 1.00 0.00 N ATOM 626 CA VAL A 46 -6.747 -2.430 -4.672 1.00 0.00 C ATOM 627 C VAL A 46 -8.018 -3.007 -4.059 1.00 0.00 C ATOM 628 O VAL A 46 -8.221 -4.220 -4.056 1.00 0.00 O ATOM 629 CB VAL A 46 -7.118 -1.331 -5.687 1.00 0.00 C ATOM 630 CG1 VAL A 46 -5.865 -0.665 -6.234 1.00 0.00 C ATOM 631 CG2 VAL A 46 -7.966 -1.901 -6.816 1.00 0.00 C ATOM 0 H VAL A 46 -6.492 -4.180 -5.795 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.138 -1.982 -3.887 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.709 -0.574 -5.171 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.146 0.108 -6.949 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.305 -0.215 -5.414 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.244 -1.410 -6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.216 -1.107 -7.520 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.407 -2.681 -7.332 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.883 -2.323 -6.405 1.00 0.00 H new ATOM 641 N SER A 47 -8.872 -2.131 -3.543 1.00 0.00 N ATOM 642 CA SER A 47 -10.121 -2.559 -2.928 1.00 0.00 C ATOM 643 C SER A 47 -11.066 -3.154 -3.967 1.00 0.00 C ATOM 644 O SER A 47 -11.604 -4.246 -3.779 1.00 0.00 O ATOM 645 CB SER A 47 -10.790 -1.380 -2.222 1.00 0.00 C ATOM 646 OG SER A 47 -11.645 -0.669 -3.101 1.00 0.00 O ATOM 0 H SER A 47 -8.722 -1.122 -3.538 1.00 0.00 H new ATOM 0 HA SER A 47 -9.892 -3.332 -2.194 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.363 -1.742 -1.369 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.027 -0.707 -1.831 1.00 0.00 H new ATOM 0 HG SER A 47 -12.060 0.078 -2.621 1.00 0.00 H new ATOM 781 N VAL A 57 -8.835 -2.125 -14.285 1.00 0.00 N ATOM 782 CA VAL A 57 -7.545 -1.918 -13.633 1.00 0.00 C ATOM 783 C VAL A 57 -7.180 -3.107 -12.750 1.00 0.00 C ATOM 784 O VAL A 57 -7.910 -4.097 -12.690 1.00 0.00 O ATOM 785 CB VAL A 57 -7.550 -0.637 -12.777 1.00 0.00 C ATOM 786 CG1 VAL A 57 -7.729 0.591 -13.655 1.00 0.00 C ATOM 787 CG2 VAL A 57 -8.639 -0.706 -11.716 1.00 0.00 C ATOM 0 HA VAL A 57 -6.801 -1.815 -14.423 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.588 -0.557 -12.271 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.730 1.486 -13.033 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.910 0.648 -14.372 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.676 0.520 -14.191 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.626 0.208 -11.122 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.611 -0.812 -12.198 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.461 -1.563 -11.067 1.00 0.00 H new ATOM 797 N TRP A 58 -6.044 -3.003 -12.067 1.00 0.00 N ATOM 798 CA TRP A 58 -5.580 -4.067 -11.188 1.00 0.00 C ATOM 799 C TRP A 58 -6.278 -3.994 -9.833 1.00 0.00 C ATOM 800 O TRP A 58 -6.120 -3.021 -9.095 1.00 0.00 O ATOM 801 CB TRP A 58 -4.063 -3.972 -11.003 1.00 0.00 C ATOM 802 CG TRP A 58 -3.355 -5.268 -11.249 1.00 0.00 C ATOM 803 CD1 TRP A 58 -3.688 -6.490 -10.742 1.00 0.00 C ATOM 804 CD2 TRP A 58 -2.193 -5.473 -12.061 1.00 0.00 C ATOM 805 NE1 TRP A 58 -2.805 -7.443 -11.187 1.00 0.00 N ATOM 806 CE2 TRP A 58 -1.878 -6.844 -11.999 1.00 0.00 C ATOM 807 CE3 TRP A 58 -1.390 -4.630 -12.834 1.00 0.00 C ATOM 808 CZ2 TRP A 58 -0.793 -7.390 -12.682 1.00 0.00 C ATOM 809 CZ3 TRP A 58 -0.314 -5.174 -13.512 1.00 0.00 C ATOM 810 CH2 TRP A 58 -0.024 -6.542 -13.431 1.00 0.00 C ATOM 0 H TRP A 58 -5.428 -2.191 -12.107 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.824 -5.024 -11.649 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.668 -3.215 -11.681 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.848 -3.635 -9.989 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.525 -6.680 -10.086 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.834 -8.435 -10.951 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.605 -3.574 -12.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.567 -8.444 -12.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 0.313 -4.533 -14.114 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.824 -6.936 -13.971 1.00 0.00 H new ATOM 821 N SER A 59 -7.049 -5.028 -9.515 1.00 0.00 N ATOM 822 CA SER A 59 -7.772 -5.080 -8.249 1.00 0.00 C ATOM 823 C SER A 59 -7.787 -6.498 -7.687 1.00 0.00 C ATOM 824 O SER A 59 -7.461 -7.457 -8.387 1.00 0.00 O ATOM 825 CB SER A 59 -9.204 -4.579 -8.437 1.00 0.00 C ATOM 826 OG SER A 59 -9.222 -3.300 -9.046 1.00 0.00 O ATOM 0 H SER A 59 -7.190 -5.841 -10.115 1.00 0.00 H new ATOM 0 HA SER A 59 -7.257 -4.433 -7.538 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.762 -5.286 -9.052 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.706 -4.532 -7.470 1.00 0.00 H new ATOM 0 HG SER A 59 -10.149 -3.003 -9.156 1.00 0.00 H new ATOM 832 N ILE A 60 -8.166 -6.623 -6.419 1.00 0.00 N ATOM 833 CA ILE A 60 -8.224 -7.925 -5.765 1.00 0.00 C ATOM 834 C ILE A 60 -9.142 -7.890 -4.546 1.00 0.00 C ATOM 835 O ILE A 60 -9.329 -6.841 -3.929 1.00 0.00 O ATOM 836 CB ILE A 60 -6.817 -8.397 -5.327 1.00 0.00 C ATOM 837 CG1 ILE A 60 -6.734 -9.928 -5.366 1.00 0.00 C ATOM 838 CG2 ILE A 60 -6.474 -7.872 -3.935 1.00 0.00 C ATOM 839 CD1 ILE A 60 -5.589 -10.499 -4.556 1.00 0.00 C ATOM 0 H ILE A 60 -8.437 -5.840 -5.825 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.625 -8.629 -6.495 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.086 -7.992 -6.027 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.671 -10.343 -4.995 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.630 -10.251 -6.402 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.480 -8.218 -3.650 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.491 -6.782 -3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.206 -8.241 -3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.596 -11.586 -4.632 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.644 -10.114 -4.940 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.702 -10.208 -3.512 1.00 0.00 H new ATOM 851 N ALA A 61 -9.694 -9.045 -4.193 1.00 0.00 N ATOM 852 CA ALA A 61 -10.570 -9.142 -3.036 1.00 0.00 C ATOM 853 C ALA A 61 -9.769 -8.942 -1.754 1.00 0.00 C ATOM 854 O ALA A 61 -8.644 -9.427 -1.634 1.00 0.00 O ATOM 855 CB ALA A 61 -11.283 -10.485 -3.024 1.00 0.00 C ATOM 0 H ALA A 61 -9.550 -9.924 -4.691 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.324 -8.357 -3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.935 -10.543 -2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.879 -10.589 -3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.547 -11.287 -2.980 1.00 0.00 H new ATOM 861 N SER A 62 -10.346 -8.216 -0.804 1.00 0.00 N ATOM 862 CA SER A 62 -9.673 -7.944 0.461 1.00 0.00 C ATOM 863 C SER A 62 -9.396 -9.226 1.244 1.00 0.00 C ATOM 864 O SER A 62 -8.620 -9.220 2.199 1.00 0.00 O ATOM 865 CB SER A 62 -10.511 -6.987 1.311 1.00 0.00 C ATOM 866 OG SER A 62 -10.602 -5.710 0.703 1.00 0.00 O ATOM 0 H SER A 62 -11.276 -7.806 -0.885 1.00 0.00 H new ATOM 0 HA SER A 62 -8.714 -7.480 0.228 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.511 -7.399 1.449 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.066 -6.891 2.301 1.00 0.00 H new ATOM 0 HG SER A 62 -11.144 -5.118 1.265 1.00 0.00 H new ATOM 872 N GLU A 63 -10.028 -10.325 0.842 1.00 0.00 N ATOM 873 CA GLU A 63 -9.837 -11.601 1.519 1.00 0.00 C ATOM 874 C GLU A 63 -8.627 -12.348 0.963 1.00 0.00 C ATOM 875 O GLU A 63 -8.112 -13.268 1.598 1.00 0.00 O ATOM 876 CB GLU A 63 -11.091 -12.469 1.390 1.00 0.00 C ATOM 877 CG GLU A 63 -11.675 -12.496 -0.013 1.00 0.00 C ATOM 878 CD GLU A 63 -12.441 -13.772 -0.302 1.00 0.00 C ATOM 879 OE1 GLU A 63 -13.062 -14.316 0.635 1.00 0.00 O ATOM 880 OE2 GLU A 63 -12.418 -14.228 -1.464 1.00 0.00 O ATOM 0 H GLU A 63 -10.674 -10.357 0.054 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.655 -11.392 2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.849 -13.488 1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.849 -12.102 2.082 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.339 -11.641 -0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.870 -12.388 -0.740 1.00 0.00 H new ATOM 887 N LEU A 64 -8.172 -11.952 -0.225 1.00 0.00 N ATOM 888 CA LEU A 64 -7.029 -12.590 -0.854 1.00 0.00 C ATOM 889 C LEU A 64 -5.732 -11.843 -0.547 1.00 0.00 C ATOM 890 O LEU A 64 -4.665 -12.216 -1.033 1.00 0.00 O ATOM 891 CB LEU A 64 -7.226 -12.670 -2.368 1.00 0.00 C ATOM 892 CG LEU A 64 -8.671 -12.562 -2.853 1.00 0.00 C ATOM 893 CD1 LEU A 64 -8.725 -12.553 -4.373 1.00 0.00 C ATOM 894 CD2 LEU A 64 -9.503 -13.704 -2.297 1.00 0.00 C ATOM 0 H LEU A 64 -8.582 -11.191 -0.767 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.952 -13.597 -0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.645 -11.875 -2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.813 -13.615 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.088 -11.622 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.762 -12.476 -4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.161 -11.701 -4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.291 -13.476 -4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.530 -13.613 -2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.087 -14.654 -2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.491 -13.666 -1.208 1.00 0.00 H new ATOM 906 N ILE A 65 -5.824 -10.782 0.251 1.00 0.00 N ATOM 907 CA ILE A 65 -4.650 -9.993 0.599 1.00 0.00 C ATOM 908 C ILE A 65 -3.718 -10.764 1.529 1.00 0.00 C ATOM 909 O ILE A 65 -2.559 -11.014 1.197 1.00 0.00 O ATOM 910 CB ILE A 65 -5.044 -8.664 1.273 1.00 0.00 C ATOM 911 CG1 ILE A 65 -6.115 -7.948 0.448 1.00 0.00 C ATOM 912 CG2 ILE A 65 -3.820 -7.778 1.448 1.00 0.00 C ATOM 913 CD1 ILE A 65 -6.525 -6.609 1.022 1.00 0.00 C ATOM 0 H ILE A 65 -6.695 -10.452 0.666 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.129 -9.780 -0.334 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.456 -8.879 2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.743 -7.801 -0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.994 -8.588 0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.113 -6.843 1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.087 -8.289 2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.382 -7.566 0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.287 -6.158 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.927 -6.751 2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.657 -5.952 1.069 1.00 0.00 H new ATOM 925 N GLU A 66 -4.229 -11.133 2.698 1.00 0.00 N ATOM 926 CA GLU A 66 -3.443 -11.869 3.678 1.00 0.00 C ATOM 927 C GLU A 66 -3.113 -13.280 3.192 1.00 0.00 C ATOM 928 O GLU A 66 -2.277 -13.965 3.782 1.00 0.00 O ATOM 929 CB GLU A 66 -4.200 -11.939 5.005 1.00 0.00 C ATOM 930 CG GLU A 66 -5.661 -12.327 4.856 1.00 0.00 C ATOM 931 CD GLU A 66 -6.275 -12.802 6.158 1.00 0.00 C ATOM 932 OE1 GLU A 66 -5.877 -12.285 7.225 1.00 0.00 O ATOM 933 OE2 GLU A 66 -7.151 -13.690 6.114 1.00 0.00 O ATOM 0 H GLU A 66 -5.186 -10.934 2.989 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.502 -11.337 3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.707 -12.660 5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.140 -10.969 5.499 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.224 -11.471 4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.749 -13.115 4.108 1.00 0.00 H new ATOM 940 N LYS A 67 -3.771 -13.714 2.118 1.00 0.00 N ATOM 941 CA LYS A 67 -3.538 -15.047 1.572 1.00 0.00 C ATOM 942 C LYS A 67 -2.642 -14.993 0.336 1.00 0.00 C ATOM 943 O LYS A 67 -1.699 -15.773 0.210 1.00 0.00 O ATOM 944 CB LYS A 67 -4.868 -15.715 1.221 1.00 0.00 C ATOM 945 CG LYS A 67 -5.907 -15.621 2.328 1.00 0.00 C ATOM 946 CD LYS A 67 -6.478 -16.986 2.678 1.00 0.00 C ATOM 947 CE LYS A 67 -7.638 -17.355 1.768 1.00 0.00 C ATOM 948 NZ LYS A 67 -8.683 -18.137 2.488 1.00 0.00 N ATOM 0 H LYS A 67 -4.466 -13.164 1.612 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.029 -15.635 2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.269 -15.255 0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.688 -16.765 0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.455 -15.177 3.215 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.714 -14.958 2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.696 -17.741 2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.814 -16.986 3.715 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.081 -16.447 1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.267 -17.936 0.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.456 -18.369 1.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.267 -19.016 2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.056 -17.573 3.278 1.00 0.00 H new ATOM 962 N ARG A 68 -2.950 -14.078 -0.578 1.00 0.00 N ATOM 963 CA ARG A 68 -2.174 -13.937 -1.806 1.00 0.00 C ATOM 964 C ARG A 68 -1.136 -12.825 -1.686 1.00 0.00 C ATOM 965 O ARG A 68 0.065 -13.073 -1.791 1.00 0.00 O ATOM 966 CB ARG A 68 -3.100 -13.659 -2.992 1.00 0.00 C ATOM 967 CG ARG A 68 -4.251 -14.645 -3.109 1.00 0.00 C ATOM 968 CD ARG A 68 -4.843 -14.645 -4.509 1.00 0.00 C ATOM 969 NE ARG A 68 -6.263 -14.995 -4.507 1.00 0.00 N ATOM 970 CZ ARG A 68 -6.718 -16.242 -4.405 1.00 0.00 C ATOM 971 NH1 ARG A 68 -5.871 -17.257 -4.293 1.00 0.00 N ATOM 972 NH2 ARG A 68 -8.024 -16.472 -4.412 1.00 0.00 N ATOM 0 H ARG A 68 -3.729 -13.425 -0.492 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.647 -14.876 -1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.504 -12.651 -2.898 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.516 -13.684 -3.912 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.900 -15.647 -2.861 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.025 -14.390 -2.385 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.714 -13.660 -4.957 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.297 -15.352 -5.133 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.944 -14.240 -4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.866 -17.084 -4.285 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.225 -18.210 -4.215 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.678 -15.694 -4.495 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.374 -17.427 -4.334 1.00 0.00 H new ATOM 986 N CYS A 69 -1.605 -11.599 -1.470 1.00 0.00 N ATOM 987 CA CYS A 69 -0.711 -10.452 -1.343 1.00 0.00 C ATOM 988 C CYS A 69 0.316 -10.677 -0.237 1.00 0.00 C ATOM 989 O CYS A 69 0.002 -11.238 0.812 1.00 0.00 O ATOM 990 CB CYS A 69 -1.512 -9.181 -1.063 1.00 0.00 C ATOM 991 SG CYS A 69 -2.518 -8.620 -2.456 1.00 0.00 S ATOM 0 H CYS A 69 -2.596 -11.375 -1.379 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.178 -10.335 -2.287 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.163 -9.356 -0.206 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -0.823 -8.385 -0.783 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.668 -8.199 -2.019 1.00 0.00 H new ATOM 997 N ARG A 70 1.547 -10.237 -0.482 1.00 0.00 N ATOM 998 CA ARG A 70 2.623 -10.392 0.492 1.00 0.00 C ATOM 999 C ARG A 70 2.773 -9.140 1.352 1.00 0.00 C ATOM 1000 O ARG A 70 2.867 -9.224 2.576 1.00 0.00 O ATOM 1001 CB ARG A 70 3.942 -10.698 -0.225 1.00 0.00 C ATOM 1002 CG ARG A 70 4.404 -12.137 -0.059 1.00 0.00 C ATOM 1003 CD ARG A 70 5.627 -12.231 0.841 1.00 0.00 C ATOM 1004 NE ARG A 70 5.890 -13.602 1.268 1.00 0.00 N ATOM 1005 CZ ARG A 70 6.654 -13.921 2.311 1.00 0.00 C ATOM 1006 NH1 ARG A 70 7.236 -12.970 3.031 1.00 0.00 N ATOM 1007 NH2 ARG A 70 6.838 -15.193 2.633 1.00 0.00 N ATOM 0 H ARG A 70 1.824 -9.771 -1.346 1.00 0.00 H new ATOM 0 HA ARG A 70 2.369 -11.225 1.147 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.827 -10.482 -1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.716 -10.030 0.154 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.595 -12.734 0.362 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.637 -12.560 -1.036 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.497 -11.843 0.311 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.481 -11.600 1.718 1.00 0.00 H new ATOM 0 HE ARG A 70 5.463 -14.360 0.736 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.099 -11.989 2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.820 -13.220 3.829 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.394 -15.928 2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.423 -15.437 3.432 1.00 0.00 H new ATOM 1021 N ARG A 71 2.794 -7.978 0.704 1.00 0.00 N ATOM 1022 CA ARG A 71 2.934 -6.711 1.417 1.00 0.00 C ATOM 1023 C ARG A 71 1.713 -5.821 1.198 1.00 0.00 C ATOM 1024 O ARG A 71 0.827 -6.145 0.406 1.00 0.00 O ATOM 1025 CB ARG A 71 4.205 -5.973 0.981 1.00 0.00 C ATOM 1026 CG ARG A 71 4.607 -6.222 -0.466 1.00 0.00 C ATOM 1027 CD ARG A 71 5.715 -7.259 -0.565 1.00 0.00 C ATOM 1028 NE ARG A 71 6.860 -6.917 0.276 1.00 0.00 N ATOM 1029 CZ ARG A 71 7.778 -7.797 0.672 1.00 0.00 C ATOM 1030 NH1 ARG A 71 7.691 -9.069 0.305 1.00 0.00 N ATOM 1031 NH2 ARG A 71 8.785 -7.401 1.437 1.00 0.00 N ATOM 0 H ARG A 71 2.716 -7.887 -0.309 1.00 0.00 H new ATOM 0 HA ARG A 71 3.011 -6.939 2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.058 -4.903 1.126 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.027 -6.273 1.631 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.739 -6.559 -1.033 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.940 -5.288 -0.918 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.327 -8.234 -0.270 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.039 -7.345 -1.602 1.00 0.00 H new ATOM 0 HE ARG A 71 6.962 -5.948 0.577 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.918 -9.378 -0.284 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.397 -9.738 0.612 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.856 -6.424 1.721 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.489 -8.073 1.741 1.00 0.00 H new ATOM 1045 N MET A 72 1.669 -4.704 1.914 1.00 0.00 N ATOM 1046 CA MET A 72 0.554 -3.771 1.807 1.00 0.00 C ATOM 1047 C MET A 72 1.046 -2.343 1.605 1.00 0.00 C ATOM 1048 O MET A 72 2.140 -1.980 2.038 1.00 0.00 O ATOM 1049 CB MET A 72 -0.321 -3.849 3.061 1.00 0.00 C ATOM 1050 CG MET A 72 -1.644 -4.561 2.833 1.00 0.00 C ATOM 1051 SD MET A 72 -2.288 -5.327 4.335 1.00 0.00 S ATOM 1052 CE MET A 72 -1.795 -7.030 4.085 1.00 0.00 C ATOM 0 H MET A 72 2.393 -4.422 2.575 1.00 0.00 H new ATOM 0 HA MET A 72 -0.038 -4.053 0.936 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.230 -4.365 3.847 1.00 0.00 H new ATOM 0 HB3 MET A 72 -0.518 -2.839 3.420 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.375 -3.848 2.451 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.514 -5.325 2.067 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.672 -7.675 4.141 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.330 -7.134 3.105 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.082 -7.320 4.857 1.00 0.00 H new ATOM 1062 N VAL A 73 0.224 -1.535 0.952 1.00 0.00 N ATOM 1063 CA VAL A 73 0.555 -0.143 0.697 1.00 0.00 C ATOM 1064 C VAL A 73 -0.555 0.756 1.223 1.00 0.00 C ATOM 1065 O VAL A 73 -1.562 0.978 0.551 1.00 0.00 O ATOM 1066 CB VAL A 73 0.769 0.117 -0.806 1.00 0.00 C ATOM 1067 CG1 VAL A 73 1.137 1.572 -1.055 1.00 0.00 C ATOM 1068 CG2 VAL A 73 1.840 -0.812 -1.356 1.00 0.00 C ATOM 0 H VAL A 73 -0.684 -1.824 0.587 1.00 0.00 H new ATOM 0 HA VAL A 73 1.487 0.083 1.215 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.166 -0.088 -1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.283 1.733 -2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.334 2.217 -0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.058 1.811 -0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.980 -0.617 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.778 -0.639 -0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.531 -1.848 -1.215 1.00 0.00 H new ATOM 1078 N VAL A 74 -0.372 1.251 2.441 1.00 0.00 N ATOM 1079 CA VAL A 74 -1.365 2.104 3.076 1.00 0.00 C ATOM 1080 C VAL A 74 -1.148 3.574 2.741 1.00 0.00 C ATOM 1081 O VAL A 74 -0.015 4.032 2.602 1.00 0.00 O ATOM 1082 CB VAL A 74 -1.350 1.930 4.607 1.00 0.00 C ATOM 1083 CG1 VAL A 74 -2.607 2.524 5.223 1.00 0.00 C ATOM 1084 CG2 VAL A 74 -1.207 0.461 4.980 1.00 0.00 C ATOM 0 H VAL A 74 0.457 1.075 3.008 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.334 1.795 2.684 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.488 2.466 5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.579 2.392 6.305 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.660 3.587 4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.484 2.019 4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.199 0.360 6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.046 -0.102 4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.274 0.071 4.572 1.00 0.00 H new ATOM 1094 N VAL A 75 -2.249 4.306 2.615 1.00 0.00 N ATOM 1095 CA VAL A 75 -2.195 5.727 2.303 1.00 0.00 C ATOM 1096 C VAL A 75 -2.811 6.553 3.430 1.00 0.00 C ATOM 1097 O VAL A 75 -4.021 6.773 3.458 1.00 0.00 O ATOM 1098 CB VAL A 75 -2.928 6.039 0.983 1.00 0.00 C ATOM 1099 CG1 VAL A 75 -2.806 7.514 0.633 1.00 0.00 C ATOM 1100 CG2 VAL A 75 -2.387 5.172 -0.144 1.00 0.00 C ATOM 0 H VAL A 75 -3.193 3.936 2.725 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.144 5.994 2.193 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.985 5.810 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.331 7.711 -0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.246 8.114 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.754 7.775 0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.916 5.405 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.323 5.368 -0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.535 4.121 0.103 1.00 0.00 H new ATOM 1110 N VAL A 76 -1.974 6.998 4.364 1.00 0.00 N ATOM 1111 CA VAL A 76 -2.444 7.790 5.497 1.00 0.00 C ATOM 1112 C VAL A 76 -2.440 9.282 5.180 1.00 0.00 C ATOM 1113 O VAL A 76 -1.433 9.967 5.368 1.00 0.00 O ATOM 1114 CB VAL A 76 -1.593 7.536 6.757 1.00 0.00 C ATOM 1115 CG1 VAL A 76 -0.138 7.911 6.511 1.00 0.00 C ATOM 1116 CG2 VAL A 76 -2.156 8.298 7.948 1.00 0.00 C ATOM 0 H VAL A 76 -0.969 6.824 4.359 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.469 7.473 5.692 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.632 6.471 6.986 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.444 7.723 7.414 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.259 7.311 5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.074 8.968 6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.541 8.105 8.827 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.154 9.366 7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.177 7.969 8.141 1.00 0.00 H new ATOM 1126 N SER A 77 -3.575 9.785 4.710 1.00 0.00 N ATOM 1127 CA SER A 77 -3.706 11.199 4.378 1.00 0.00 C ATOM 1128 C SER A 77 -4.887 11.824 5.120 1.00 0.00 C ATOM 1129 O SER A 77 -5.842 11.137 5.481 1.00 0.00 O ATOM 1130 CB SER A 77 -3.877 11.381 2.867 1.00 0.00 C ATOM 1131 OG SER A 77 -3.799 10.139 2.188 1.00 0.00 O ATOM 0 H SER A 77 -4.419 9.235 4.550 1.00 0.00 H new ATOM 0 HA SER A 77 -2.794 11.706 4.692 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.839 11.851 2.661 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.107 12.053 2.490 1.00 0.00 H new ATOM 0 HG SER A 77 -4.698 9.760 2.095 1.00 0.00 H new ATOM 1137 N ASP A 78 -4.803 13.132 5.347 1.00 0.00 N ATOM 1138 CA ASP A 78 -5.853 13.874 6.051 1.00 0.00 C ATOM 1139 C ASP A 78 -7.255 13.438 5.625 1.00 0.00 C ATOM 1140 O ASP A 78 -8.074 13.049 6.456 1.00 0.00 O ATOM 1141 CB ASP A 78 -5.685 15.375 5.791 1.00 0.00 C ATOM 1142 CG ASP A 78 -5.353 16.146 7.050 1.00 0.00 C ATOM 1143 OD1 ASP A 78 -4.546 15.642 7.855 1.00 0.00 O ATOM 1144 OD2 ASP A 78 -5.900 17.255 7.230 1.00 0.00 O ATOM 0 H ASP A 78 -4.013 13.707 5.052 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.749 13.659 7.114 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.894 15.527 5.056 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.604 15.771 5.358 1.00 0.00 H new ATOM 1149 N ASP A 79 -7.527 13.527 4.327 1.00 0.00 N ATOM 1150 CA ASP A 79 -8.831 13.166 3.783 1.00 0.00 C ATOM 1151 C ASP A 79 -9.114 11.668 3.894 1.00 0.00 C ATOM 1152 O ASP A 79 -10.229 11.223 3.619 1.00 0.00 O ATOM 1153 CB ASP A 79 -8.918 13.598 2.322 1.00 0.00 C ATOM 1154 CG ASP A 79 -9.038 15.101 2.168 1.00 0.00 C ATOM 1155 OD1 ASP A 79 -8.053 15.809 2.467 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -10.117 15.573 1.750 1.00 0.00 O ATOM 0 H ASP A 79 -6.857 13.848 3.629 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.585 13.686 4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.032 13.251 1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.778 13.118 1.855 1.00 0.00 H new ATOM 1161 N TYR A 80 -8.115 10.890 4.295 1.00 0.00 N ATOM 1162 CA TYR A 80 -8.285 9.451 4.435 1.00 0.00 C ATOM 1163 C TYR A 80 -8.700 9.106 5.857 1.00 0.00 C ATOM 1164 O TYR A 80 -9.441 8.151 6.088 1.00 0.00 O ATOM 1165 CB TYR A 80 -6.985 8.721 4.084 1.00 0.00 C ATOM 1166 CG TYR A 80 -6.554 8.875 2.639 1.00 0.00 C ATOM 1167 CD1 TYR A 80 -6.518 10.122 2.023 1.00 0.00 C ATOM 1168 CD2 TYR A 80 -6.175 7.767 1.891 1.00 0.00 C ATOM 1169 CE1 TYR A 80 -6.118 10.257 0.707 1.00 0.00 C ATOM 1170 CE2 TYR A 80 -5.775 7.896 0.574 1.00 0.00 C ATOM 1171 CZ TYR A 80 -5.749 9.143 -0.012 1.00 0.00 C ATOM 1172 OH TYR A 80 -5.350 9.274 -1.323 1.00 0.00 O ATOM 0 H TYR A 80 -7.182 11.231 4.528 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.067 9.129 3.747 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.189 9.091 4.730 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.107 7.660 4.304 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.807 10.999 2.583 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.193 6.788 2.346 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.095 11.233 0.245 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.484 7.024 0.007 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.096 9.046 -1.916 1.00 0.00 H new ATOM 1182 N LEU A 81 -8.211 9.894 6.808 1.00 0.00 N ATOM 1183 CA LEU A 81 -8.514 9.687 8.212 1.00 0.00 C ATOM 1184 C LEU A 81 -9.883 10.248 8.564 1.00 0.00 C ATOM 1185 O LEU A 81 -10.586 9.707 9.416 1.00 0.00 O ATOM 1186 CB LEU A 81 -7.436 10.345 9.065 1.00 0.00 C ATOM 1187 CG LEU A 81 -6.044 9.747 8.900 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -4.963 10.768 9.211 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -5.898 8.541 9.792 1.00 0.00 C ATOM 0 H LEU A 81 -7.598 10.688 6.625 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.532 8.616 8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.393 11.406 8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.726 10.273 10.113 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.923 9.443 7.860 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.982 10.310 9.084 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.058 11.616 8.533 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.072 11.112 10.240 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.901 8.117 9.670 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.042 8.837 10.831 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.645 7.795 9.521 1.00 0.00 H new ATOM 1201 N GLN A 82 -10.262 11.333 7.896 1.00 0.00 N ATOM 1202 CA GLN A 82 -11.549 11.960 8.134 1.00 0.00 C ATOM 1203 C GLN A 82 -12.690 10.979 7.867 1.00 0.00 C ATOM 1204 O GLN A 82 -13.814 11.179 8.328 1.00 0.00 O ATOM 1205 CB GLN A 82 -11.698 13.198 7.250 1.00 0.00 C ATOM 1206 CG GLN A 82 -11.834 12.881 5.769 1.00 0.00 C ATOM 1207 CD GLN A 82 -12.070 14.119 4.927 1.00 0.00 C ATOM 1208 OE1 GLN A 82 -11.256 15.145 5.145 1.00 0.00 O flip ATOM 1209 NE2 GLN A 82 -12.972 14.153 4.091 1.00 0.00 N flip ATOM 0 H GLN A 82 -9.693 11.794 7.186 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.598 12.261 9.180 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -12.574 13.761 7.574 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.832 13.844 7.396 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.930 12.379 5.424 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.660 12.185 5.625 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -13.574 13.341 3.957 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.118 14.994 3.532 1.00 0.00 H new ATOM 1218 N SER A 83 -12.393 9.919 7.118 1.00 0.00 N ATOM 1219 CA SER A 83 -13.392 8.909 6.791 1.00 0.00 C ATOM 1220 C SER A 83 -13.231 7.675 7.674 1.00 0.00 C ATOM 1221 O SER A 83 -12.148 7.407 8.193 1.00 0.00 O ATOM 1222 CB SER A 83 -13.286 8.515 5.317 1.00 0.00 C ATOM 1223 OG SER A 83 -14.274 7.559 4.972 1.00 0.00 O ATOM 0 H SER A 83 -11.468 9.739 6.727 1.00 0.00 H new ATOM 0 HA SER A 83 -14.377 9.337 6.975 1.00 0.00 H new ATOM 0 HB2 SER A 83 -13.398 9.401 4.692 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.295 8.107 5.117 1.00 0.00 H new ATOM 0 HG SER A 83 -14.186 7.325 4.024 1.00 0.00 H new ATOM 1229 N LYS A 84 -14.318 6.926 7.839 1.00 0.00 N ATOM 1230 CA LYS A 84 -14.302 5.721 8.655 1.00 0.00 C ATOM 1231 C LYS A 84 -13.588 4.578 7.941 1.00 0.00 C ATOM 1232 O LYS A 84 -13.134 3.625 8.576 1.00 0.00 O ATOM 1233 CB LYS A 84 -15.733 5.308 9.004 1.00 0.00 C ATOM 1234 CG LYS A 84 -16.663 5.248 7.801 1.00 0.00 C ATOM 1235 CD LYS A 84 -17.867 6.161 7.978 1.00 0.00 C ATOM 1236 CE LYS A 84 -17.617 7.537 7.384 1.00 0.00 C ATOM 1237 NZ LYS A 84 -18.852 8.369 7.369 1.00 0.00 N ATOM 0 H LYS A 84 -15.222 7.135 7.416 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.754 5.940 9.572 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.712 4.330 9.485 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.138 6.012 9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -16.116 5.536 6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -17.002 4.223 7.653 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -18.738 5.711 7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -18.098 6.258 9.039 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -16.844 8.046 7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.239 7.430 6.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.639 9.299 6.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -19.582 7.896 6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.199 8.493 8.342 1.00 0.00 H new ATOM 1251 N GLU A 85 -13.489 4.676 6.618 1.00 0.00 N ATOM 1252 CA GLU A 85 -12.826 3.650 5.821 1.00 0.00 C ATOM 1253 C GLU A 85 -11.424 3.375 6.354 1.00 0.00 C ATOM 1254 O GLU A 85 -10.927 2.250 6.279 1.00 0.00 O ATOM 1255 CB GLU A 85 -12.753 4.078 4.354 1.00 0.00 C ATOM 1256 CG GLU A 85 -14.065 3.905 3.604 1.00 0.00 C ATOM 1257 CD GLU A 85 -13.994 2.819 2.548 1.00 0.00 C ATOM 1258 OE1 GLU A 85 -13.596 1.685 2.888 1.00 0.00 O ATOM 1259 OE2 GLU A 85 -14.338 3.103 1.380 1.00 0.00 O ATOM 0 H GLU A 85 -13.860 5.456 6.076 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.411 2.733 5.893 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.451 5.124 4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.978 3.498 3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.856 3.665 4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.336 4.849 3.131 1.00 0.00 H new ATOM 1266 N CYS A 86 -10.796 4.410 6.904 1.00 0.00 N ATOM 1267 CA CYS A 86 -9.458 4.278 7.460 1.00 0.00 C ATOM 1268 C CYS A 86 -9.523 3.609 8.826 1.00 0.00 C ATOM 1269 O CYS A 86 -8.616 2.870 9.210 1.00 0.00 O ATOM 1270 CB CYS A 86 -8.791 5.650 7.577 1.00 0.00 C ATOM 1271 SG CYS A 86 -7.524 5.961 6.324 1.00 0.00 S ATOM 0 H CYS A 86 -11.193 5.347 6.975 1.00 0.00 H new ATOM 0 HA CYS A 86 -8.862 3.658 6.790 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -9.557 6.422 7.504 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -8.340 5.740 8.565 1.00 0.00 H new ATOM 0 HG CYS A 86 -8.086 6.072 5.157 1.00 0.00 H new ATOM 1277 N ASP A 87 -10.606 3.867 9.554 1.00 0.00 N ATOM 1278 CA ASP A 87 -10.791 3.282 10.874 1.00 0.00 C ATOM 1279 C ASP A 87 -10.819 1.763 10.780 1.00 0.00 C ATOM 1280 O ASP A 87 -10.256 1.066 11.624 1.00 0.00 O ATOM 1281 CB ASP A 87 -12.083 3.795 11.511 1.00 0.00 C ATOM 1282 CG ASP A 87 -11.844 4.963 12.448 1.00 0.00 C ATOM 1283 OD1 ASP A 87 -11.472 4.721 13.616 1.00 0.00 O ATOM 1284 OD2 ASP A 87 -12.026 6.119 12.013 1.00 0.00 O ATOM 0 H ASP A 87 -11.366 4.476 9.251 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.952 3.579 11.503 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.776 4.099 10.726 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.560 2.984 12.061 1.00 0.00 H new ATOM 1289 N PHE A 88 -11.464 1.256 9.734 1.00 0.00 N ATOM 1290 CA PHE A 88 -11.548 -0.182 9.520 1.00 0.00 C ATOM 1291 C PHE A 88 -10.193 -0.718 9.076 1.00 0.00 C ATOM 1292 O PHE A 88 -9.729 -1.754 9.557 1.00 0.00 O ATOM 1293 CB PHE A 88 -12.611 -0.502 8.469 1.00 0.00 C ATOM 1294 CG PHE A 88 -12.913 -1.968 8.347 1.00 0.00 C ATOM 1295 CD1 PHE A 88 -13.494 -2.660 9.399 1.00 0.00 C ATOM 1296 CD2 PHE A 88 -12.616 -2.656 7.180 1.00 0.00 C ATOM 1297 CE1 PHE A 88 -13.773 -4.008 9.289 1.00 0.00 C ATOM 1298 CE2 PHE A 88 -12.893 -4.005 7.066 1.00 0.00 C ATOM 1299 CZ PHE A 88 -13.472 -4.682 8.121 1.00 0.00 C ATOM 0 H PHE A 88 -11.934 1.818 9.025 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.832 -0.662 10.457 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -13.529 0.030 8.719 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.278 -0.126 7.501 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -13.731 -2.139 10.315 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.163 -2.132 6.351 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -14.226 -4.535 10.116 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.657 -4.530 6.152 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.689 -5.736 8.033 1.00 0.00 H new ATOM 1309 N GLN A 89 -9.557 0.010 8.165 1.00 0.00 N ATOM 1310 CA GLN A 89 -8.247 -0.371 7.659 1.00 0.00 C ATOM 1311 C GLN A 89 -7.229 -0.381 8.791 1.00 0.00 C ATOM 1312 O GLN A 89 -6.323 -1.213 8.821 1.00 0.00 O ATOM 1313 CB GLN A 89 -7.806 0.597 6.560 1.00 0.00 C ATOM 1314 CG GLN A 89 -6.828 -0.010 5.571 1.00 0.00 C ATOM 1315 CD GLN A 89 -5.426 0.547 5.724 1.00 0.00 C ATOM 1316 OE1 GLN A 89 -5.195 1.738 5.522 1.00 0.00 O ATOM 1317 NE2 GLN A 89 -4.485 -0.315 6.085 1.00 0.00 N ATOM 0 H GLN A 89 -9.930 0.869 7.762 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.311 -1.374 7.238 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.686 0.946 6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.348 1.472 7.021 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.803 -1.091 5.707 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.180 0.175 4.556 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.723 -1.294 6.242 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.523 0.001 6.206 1.00 0.00 H new ATOM 1326 N THR A 90 -7.396 0.546 9.730 1.00 0.00 N ATOM 1327 CA THR A 90 -6.509 0.647 10.879 1.00 0.00 C ATOM 1328 C THR A 90 -6.633 -0.574 11.762 1.00 0.00 C ATOM 1329 O THR A 90 -5.686 -1.334 11.897 1.00 0.00 O ATOM 1330 CB THR A 90 -6.821 1.912 11.680 1.00 0.00 C ATOM 1331 OG1 THR A 90 -6.800 3.054 10.843 1.00 0.00 O ATOM 1332 CG2 THR A 90 -5.848 2.157 12.810 1.00 0.00 C ATOM 0 H THR A 90 -8.143 1.241 9.715 1.00 0.00 H new ATOM 0 HA THR A 90 -5.483 0.704 10.515 1.00 0.00 H new ATOM 0 HB THR A 90 -7.813 1.749 12.102 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.707 3.243 10.524 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.126 3.069 13.338 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.874 1.315 13.502 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.841 2.264 12.406 1.00 0.00 H new ATOM 1340 N LYS A 91 -7.798 -0.766 12.361 1.00 0.00 N ATOM 1341 CA LYS A 91 -8.019 -1.909 13.241 1.00 0.00 C ATOM 1342 C LYS A 91 -7.535 -3.202 12.599 1.00 0.00 C ATOM 1343 O LYS A 91 -7.138 -4.136 13.292 1.00 0.00 O ATOM 1344 CB LYS A 91 -9.497 -2.023 13.614 1.00 0.00 C ATOM 1345 CG LYS A 91 -9.870 -1.236 14.860 1.00 0.00 C ATOM 1346 CD LYS A 91 -9.719 0.260 14.637 1.00 0.00 C ATOM 1347 CE LYS A 91 -9.690 1.020 15.953 1.00 0.00 C ATOM 1348 NZ LYS A 91 -9.948 2.473 15.762 1.00 0.00 N ATOM 0 H LYS A 91 -8.604 -0.149 12.256 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.440 -1.745 14.150 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.103 -1.673 12.778 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.744 -3.073 13.769 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.899 -1.462 15.140 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.238 -1.547 15.692 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.801 0.455 14.083 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.544 0.623 14.024 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.438 0.604 16.628 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.719 0.883 16.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.920 2.955 16.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.220 2.876 15.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.885 2.605 15.331 1.00 0.00 H new ATOM 1362 N PHE A 92 -7.555 -3.248 11.276 1.00 0.00 N ATOM 1363 CA PHE A 92 -7.098 -4.429 10.561 1.00 0.00 C ATOM 1364 C PHE A 92 -5.616 -4.308 10.222 1.00 0.00 C ATOM 1365 O PHE A 92 -4.922 -5.309 10.052 1.00 0.00 O ATOM 1366 CB PHE A 92 -7.918 -4.635 9.287 1.00 0.00 C ATOM 1367 CG PHE A 92 -7.895 -6.050 8.780 1.00 0.00 C ATOM 1368 CD1 PHE A 92 -8.324 -7.093 9.584 1.00 0.00 C ATOM 1369 CD2 PHE A 92 -7.447 -6.333 7.501 1.00 0.00 C ATOM 1370 CE1 PHE A 92 -8.304 -8.395 9.121 1.00 0.00 C ATOM 1371 CE2 PHE A 92 -7.426 -7.633 7.032 1.00 0.00 C ATOM 1372 CZ PHE A 92 -7.855 -8.665 7.844 1.00 0.00 C ATOM 0 H PHE A 92 -7.880 -2.487 10.679 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.237 -5.296 11.207 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.951 -4.343 9.478 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.538 -3.973 8.509 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -8.678 -6.887 10.583 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.110 -5.529 6.863 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -8.639 -9.200 9.758 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.075 -7.842 6.032 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.839 -9.682 7.480 1.00 0.00 H new ATOM 1382 N ALA A 93 -5.138 -3.071 10.120 1.00 0.00 N ATOM 1383 CA ALA A 93 -3.740 -2.812 9.797 1.00 0.00 C ATOM 1384 C ALA A 93 -2.880 -2.681 11.053 1.00 0.00 C ATOM 1385 O ALA A 93 -1.674 -2.922 11.016 1.00 0.00 O ATOM 1386 CB ALA A 93 -3.619 -1.561 8.949 1.00 0.00 C ATOM 0 H ALA A 93 -5.700 -2.231 10.257 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.371 -3.668 9.232 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.570 -1.380 8.715 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -4.179 -1.693 8.023 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -4.021 -0.709 9.498 1.00 0.00 H new ATOM 1392 N LEU A 94 -3.501 -2.290 12.160 1.00 0.00 N ATOM 1393 CA LEU A 94 -2.785 -2.124 13.413 1.00 0.00 C ATOM 1394 C LEU A 94 -2.667 -3.450 14.132 1.00 0.00 C ATOM 1395 O LEU A 94 -1.597 -3.842 14.597 1.00 0.00 O ATOM 1396 CB LEU A 94 -3.515 -1.112 14.292 1.00 0.00 C ATOM 1397 CG LEU A 94 -5.009 -1.362 14.530 1.00 0.00 C ATOM 1398 CD1 LEU A 94 -5.222 -2.320 15.676 1.00 0.00 C ATOM 1399 CD2 LEU A 94 -5.728 -0.046 14.801 1.00 0.00 C ATOM 0 H LEU A 94 -4.498 -2.083 12.212 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.781 -1.756 13.201 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.016 -1.080 15.261 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.402 -0.126 13.842 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.425 -1.813 13.629 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.290 -2.480 15.823 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.741 -3.271 15.449 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.789 -1.902 16.585 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.788 -0.238 14.968 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.301 0.427 15.686 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.610 0.616 13.943 1.00 0.00 H new ATOM 1411 N SER A 95 -3.790 -4.130 14.203 1.00 0.00 N ATOM 1412 CA SER A 95 -3.865 -5.433 14.854 1.00 0.00 C ATOM 1413 C SER A 95 -4.020 -6.541 13.819 1.00 0.00 C ATOM 1414 O SER A 95 -4.953 -7.343 13.882 1.00 0.00 O ATOM 1415 CB SER A 95 -5.028 -5.476 15.849 1.00 0.00 C ATOM 1416 OG SER A 95 -6.276 -5.472 15.179 1.00 0.00 O ATOM 0 H SER A 95 -4.676 -3.804 13.816 1.00 0.00 H new ATOM 0 HA SER A 95 -2.935 -5.592 15.400 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.948 -6.370 16.468 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.969 -4.618 16.519 1.00 0.00 H new ATOM 0 HG SER A 95 -6.184 -5.013 14.318 1.00 0.00 H new ATOM 1422 N LEU A 96 -3.096 -6.579 12.867 1.00 0.00 N ATOM 1423 CA LEU A 96 -3.125 -7.591 11.814 1.00 0.00 C ATOM 1424 C LEU A 96 -2.548 -8.908 12.322 1.00 0.00 C ATOM 1425 O LEU A 96 -3.284 -9.838 12.651 1.00 0.00 O ATOM 1426 CB LEU A 96 -2.352 -7.133 10.566 1.00 0.00 C ATOM 1427 CG LEU A 96 -1.690 -5.756 10.650 1.00 0.00 C ATOM 1428 CD1 LEU A 96 -0.369 -5.841 11.399 1.00 0.00 C ATOM 1429 CD2 LEU A 96 -1.475 -5.195 9.255 1.00 0.00 C ATOM 0 H LEU A 96 -2.318 -5.923 12.801 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.168 -7.738 11.533 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.580 -7.872 10.351 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.038 -7.132 9.719 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.350 -5.085 11.200 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.086 -4.852 11.448 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.547 -6.209 12.410 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.302 -6.523 10.877 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.003 -4.215 9.326 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.831 -5.867 8.688 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.436 -5.100 8.749 1.00 0.00 H new ATOM 1441 N SER A 97 -1.222 -8.977 12.380 1.00 0.00 N ATOM 1442 CA SER A 97 -0.532 -10.173 12.845 1.00 0.00 C ATOM 1443 C SER A 97 0.548 -9.815 13.863 1.00 0.00 C ATOM 1444 O SER A 97 0.945 -8.654 13.979 1.00 0.00 O ATOM 1445 CB SER A 97 0.091 -10.919 11.663 1.00 0.00 C ATOM 1446 OG SER A 97 -0.778 -11.931 11.184 1.00 0.00 O ATOM 0 H SER A 97 -0.602 -8.214 12.109 1.00 0.00 H new ATOM 0 HA SER A 97 -1.263 -10.821 13.329 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.312 -10.215 10.861 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.039 -11.363 11.968 1.00 0.00 H new ATOM 0 HG SER A 97 -0.358 -12.392 10.428 1.00 0.00 H new ATOM 1452 N PRO A 98 1.040 -10.811 14.619 1.00 0.00 N ATOM 1453 CA PRO A 98 2.077 -10.597 15.632 1.00 0.00 C ATOM 1454 C PRO A 98 3.457 -10.378 15.020 1.00 0.00 C ATOM 1455 O PRO A 98 4.289 -11.285 15.003 1.00 0.00 O ATOM 1456 CB PRO A 98 2.049 -11.895 16.437 1.00 0.00 C ATOM 1457 CG PRO A 98 1.582 -12.925 15.468 1.00 0.00 C ATOM 1458 CD PRO A 98 0.621 -12.224 14.547 1.00 0.00 C ATOM 0 HA PRO A 98 1.889 -9.702 16.226 1.00 0.00 H new ATOM 0 HB2 PRO A 98 3.036 -12.139 16.831 1.00 0.00 H new ATOM 0 HB3 PRO A 98 1.375 -11.818 17.290 1.00 0.00 H new ATOM 0 HG2 PRO A 98 2.420 -13.345 14.911 1.00 0.00 H new ATOM 0 HG3 PRO A 98 1.095 -13.753 15.983 1.00 0.00 H new ATOM 0 HD2 PRO A 98 0.686 -12.610 13.530 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.412 -12.353 14.871 1.00 0.00 H new ATOM 1466 N GLY A 99 3.695 -9.168 14.522 1.00 0.00 N ATOM 1467 CA GLY A 99 4.979 -8.854 13.923 1.00 0.00 C ATOM 1468 C GLY A 99 4.854 -8.347 12.498 1.00 0.00 C ATOM 1469 O GLY A 99 5.693 -8.651 11.650 1.00 0.00 O ATOM 0 H GLY A 99 3.023 -8.401 14.523 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.483 -8.101 14.529 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.607 -9.745 13.933 1.00 0.00 H new ATOM 1473 N ALA A 100 3.808 -7.573 12.235 1.00 0.00 N ATOM 1474 CA ALA A 100 3.583 -7.024 10.903 1.00 0.00 C ATOM 1475 C ALA A 100 3.030 -5.604 10.981 1.00 0.00 C ATOM 1476 O ALA A 100 2.078 -5.258 10.281 1.00 0.00 O ATOM 1477 CB ALA A 100 2.638 -7.919 10.117 1.00 0.00 C ATOM 0 H ALA A 100 3.103 -7.312 12.925 1.00 0.00 H new ATOM 0 HA ALA A 100 4.542 -6.984 10.386 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.479 -7.497 9.125 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.073 -8.914 10.023 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.684 -7.988 10.639 1.00 0.00 H new ATOM 1483 N HIS A 101 3.634 -4.784 11.835 1.00 0.00 N ATOM 1484 CA HIS A 101 3.202 -3.400 12.001 1.00 0.00 C ATOM 1485 C HIS A 101 3.737 -2.527 10.870 1.00 0.00 C ATOM 1486 O HIS A 101 3.046 -1.633 10.381 1.00 0.00 O ATOM 1487 CB HIS A 101 3.667 -2.856 13.353 1.00 0.00 C ATOM 1488 CG HIS A 101 2.544 -2.411 14.237 1.00 0.00 C ATOM 1489 ND1 HIS A 101 1.929 -3.242 15.151 1.00 0.00 N ATOM 1490 CD2 HIS A 101 1.922 -1.213 14.345 1.00 0.00 C ATOM 1491 CE1 HIS A 101 0.979 -2.575 15.780 1.00 0.00 C ATOM 1492 NE2 HIS A 101 0.955 -1.341 15.311 1.00 0.00 N ATOM 0 H HIS A 101 4.423 -5.053 12.422 1.00 0.00 H new ATOM 0 HA HIS A 101 2.113 -3.376 11.968 1.00 0.00 H new ATOM 0 HB2 HIS A 101 4.240 -3.627 13.868 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.341 -2.016 13.185 1.00 0.00 H new ATOM 0 HD2 HIS A 101 2.145 -0.322 13.777 1.00 0.00 H new ATOM 0 HE1 HIS A 101 0.331 -2.972 16.548 1.00 0.00 H new ATOM 0 HE2 HIS A 101 0.321 -0.603 15.617 1.00 0.00 H new ATOM 1501 N GLN A 102 4.970 -2.796 10.463 1.00 0.00 N ATOM 1502 CA GLN A 102 5.606 -2.042 9.390 1.00 0.00 C ATOM 1503 C GLN A 102 6.616 -2.909 8.647 1.00 0.00 C ATOM 1504 O GLN A 102 7.596 -2.407 8.097 1.00 0.00 O ATOM 1505 CB GLN A 102 6.296 -0.798 9.950 1.00 0.00 C ATOM 1506 CG GLN A 102 7.437 -1.113 10.904 1.00 0.00 C ATOM 1507 CD GLN A 102 8.286 0.102 11.220 1.00 0.00 C ATOM 1508 OE1 GLN A 102 7.776 1.131 11.665 1.00 0.00 O ATOM 1509 NE2 GLN A 102 9.589 -0.010 10.991 1.00 0.00 N ATOM 0 H GLN A 102 5.552 -3.533 10.861 1.00 0.00 H new ATOM 0 HA GLN A 102 4.832 -1.731 8.688 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.680 -0.202 9.122 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.558 -0.186 10.469 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.030 -1.518 11.830 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.067 -1.888 10.467 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.969 -0.882 10.622 1.00 0.00 H new ATOM 0 HE22 GLN A 102 10.210 0.776 11.184 1.00 0.00 H new ATOM 1518 N LYS A 103 6.371 -4.216 8.638 1.00 0.00 N ATOM 1519 CA LYS A 103 7.256 -5.158 7.968 1.00 0.00 C ATOM 1520 C LYS A 103 6.735 -5.501 6.576 1.00 0.00 C ATOM 1521 O LYS A 103 7.512 -5.794 5.668 1.00 0.00 O ATOM 1522 CB LYS A 103 7.390 -6.432 8.802 1.00 0.00 C ATOM 1523 CG LYS A 103 8.447 -6.341 9.890 1.00 0.00 C ATOM 1524 CD LYS A 103 7.961 -5.517 11.071 1.00 0.00 C ATOM 1525 CE LYS A 103 8.794 -5.780 12.316 1.00 0.00 C ATOM 1526 NZ LYS A 103 8.040 -6.563 13.336 1.00 0.00 N ATOM 0 H LYS A 103 5.564 -4.646 9.089 1.00 0.00 H new ATOM 0 HA LYS A 103 8.235 -4.691 7.862 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.428 -6.658 9.261 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.632 -7.265 8.141 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.710 -7.343 10.228 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.353 -5.894 9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.006 -4.457 10.819 1.00 0.00 H new ATOM 0 HD3 LYS A 103 6.916 -5.752 11.275 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.699 -6.321 12.039 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.110 -4.831 12.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 8.643 -6.721 14.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 7.190 -6.036 13.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 7.760 -7.480 12.933 1.00 0.00 H new ATOM 1540 N ARG A 104 5.416 -5.471 6.421 1.00 0.00 N ATOM 1541 CA ARG A 104 4.792 -5.787 5.142 1.00 0.00 C ATOM 1542 C ARG A 104 4.019 -4.591 4.592 1.00 0.00 C ATOM 1543 O ARG A 104 3.981 -4.368 3.383 1.00 0.00 O ATOM 1544 CB ARG A 104 3.854 -6.985 5.296 1.00 0.00 C ATOM 1545 CG ARG A 104 4.473 -8.147 6.057 1.00 0.00 C ATOM 1546 CD ARG A 104 3.429 -9.185 6.442 1.00 0.00 C ATOM 1547 NE ARG A 104 3.673 -10.473 5.795 1.00 0.00 N ATOM 1548 CZ ARG A 104 2.821 -11.494 5.832 1.00 0.00 C ATOM 1549 NH1 ARG A 104 1.668 -11.381 6.481 1.00 0.00 N ATOM 1550 NH2 ARG A 104 3.121 -12.630 5.219 1.00 0.00 N ATOM 0 H ARG A 104 4.759 -5.231 7.164 1.00 0.00 H new ATOM 0 HA ARG A 104 5.584 -6.035 4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.949 -6.664 5.812 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.552 -7.329 4.307 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.243 -8.615 5.444 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.964 -7.774 6.956 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.431 -9.317 7.524 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.439 -8.823 6.166 1.00 0.00 H new ATOM 0 HE ARG A 104 4.548 -10.596 5.285 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.432 -10.509 6.954 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.018 -12.167 6.507 1.00 0.00 H new ATOM 0 HH21 ARG A 104 4.005 -12.722 4.719 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.468 -13.413 5.247 1.00 0.00 H new ATOM 1564 N LEU A 105 3.401 -3.826 5.488 1.00 0.00 N ATOM 1565 CA LEU A 105 2.627 -2.658 5.088 1.00 0.00 C ATOM 1566 C LEU A 105 3.430 -1.375 5.273 1.00 0.00 C ATOM 1567 O LEU A 105 4.235 -1.263 6.199 1.00 0.00 O ATOM 1568 CB LEU A 105 1.332 -2.578 5.896 1.00 0.00 C ATOM 1569 CG LEU A 105 1.439 -3.032 7.354 1.00 0.00 C ATOM 1570 CD1 LEU A 105 0.531 -2.198 8.243 1.00 0.00 C ATOM 1571 CD2 LEU A 105 1.099 -4.509 7.477 1.00 0.00 C ATOM 0 H LEU A 105 3.422 -3.995 6.494 1.00 0.00 H new ATOM 0 HA LEU A 105 2.386 -2.763 4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.976 -1.548 5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.575 -3.185 5.399 1.00 0.00 H new ATOM 0 HG LEU A 105 2.467 -2.887 7.685 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.622 -2.536 9.275 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.821 -1.149 8.178 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.502 -2.309 7.914 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.180 -4.815 8.520 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.081 -4.678 7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.792 -5.094 6.872 1.00 0.00 H new ATOM 1583 N ILE A 106 3.208 -0.408 4.387 1.00 0.00 N ATOM 1584 CA ILE A 106 3.910 0.868 4.461 1.00 0.00 C ATOM 1585 C ILE A 106 2.976 2.037 4.142 1.00 0.00 C ATOM 1586 O ILE A 106 2.380 2.090 3.066 1.00 0.00 O ATOM 1587 CB ILE A 106 5.112 0.914 3.496 1.00 0.00 C ATOM 1588 CG1 ILE A 106 4.718 0.365 2.118 1.00 0.00 C ATOM 1589 CG2 ILE A 106 6.291 0.145 4.079 1.00 0.00 C ATOM 1590 CD1 ILE A 106 4.833 -1.141 1.997 1.00 0.00 C ATOM 0 H ILE A 106 2.549 -0.484 3.612 1.00 0.00 H new ATOM 0 HA ILE A 106 4.272 0.962 5.485 1.00 0.00 H new ATOM 0 HB ILE A 106 5.417 1.952 3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.691 0.659 1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.349 0.829 1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.131 0.187 3.386 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.582 0.591 5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.004 -0.894 4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.537 -1.449 0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.864 -1.443 2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.181 -1.616 2.730 1.00 0.00 H new ATOM 1602 N PRO A 107 2.830 2.990 5.083 1.00 0.00 N ATOM 1603 CA PRO A 107 1.961 4.162 4.904 1.00 0.00 C ATOM 1604 C PRO A 107 2.539 5.183 3.928 1.00 0.00 C ATOM 1605 O PRO A 107 3.756 5.318 3.800 1.00 0.00 O ATOM 1606 CB PRO A 107 1.891 4.760 6.310 1.00 0.00 C ATOM 1607 CG PRO A 107 3.179 4.363 6.941 1.00 0.00 C ATOM 1608 CD PRO A 107 3.491 2.996 6.403 1.00 0.00 C ATOM 0 HA PRO A 107 0.994 3.887 4.484 1.00 0.00 H new ATOM 0 HB2 PRO A 107 1.782 5.844 6.277 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.038 4.371 6.866 1.00 0.00 H new ATOM 0 HG2 PRO A 107 3.970 5.071 6.694 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.094 4.346 8.028 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.565 2.834 6.315 1.00 0.00 H new ATOM 0 HD3 PRO A 107 3.102 2.211 7.051 1.00 0.00 H new ATOM 1616 N ILE A 108 1.653 5.902 3.243 1.00 0.00 N ATOM 1617 CA ILE A 108 2.063 6.917 2.279 1.00 0.00 C ATOM 1618 C ILE A 108 1.024 8.037 2.199 1.00 0.00 C ATOM 1619 O ILE A 108 -0.129 7.851 2.587 1.00 0.00 O ATOM 1620 CB ILE A 108 2.275 6.295 0.881 1.00 0.00 C ATOM 1621 CG1 ILE A 108 3.494 5.371 0.894 1.00 0.00 C ATOM 1622 CG2 ILE A 108 2.445 7.372 -0.183 1.00 0.00 C ATOM 1623 CD1 ILE A 108 3.163 3.939 1.254 1.00 0.00 C ATOM 0 H ILE A 108 0.643 5.799 3.339 1.00 0.00 H new ATOM 0 HA ILE A 108 3.009 7.338 2.620 1.00 0.00 H new ATOM 0 HB ILE A 108 1.387 5.713 0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.965 5.390 -0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.224 5.756 1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.592 6.903 -1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.553 7.997 -0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.312 7.988 0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.074 3.341 1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.720 3.907 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.456 3.536 0.529 1.00 0.00 H new ATOM 1635 N LYS A 109 1.436 9.196 1.694 1.00 0.00 N ATOM 1636 CA LYS A 109 0.529 10.333 1.567 1.00 0.00 C ATOM 1637 C LYS A 109 1.107 11.399 0.641 1.00 0.00 C ATOM 1638 O LYS A 109 2.320 11.470 0.439 1.00 0.00 O ATOM 1639 CB LYS A 109 0.233 10.937 2.941 1.00 0.00 C ATOM 1640 CG LYS A 109 1.479 11.340 3.714 1.00 0.00 C ATOM 1641 CD LYS A 109 1.785 10.355 4.831 1.00 0.00 C ATOM 1642 CE LYS A 109 2.553 11.016 5.963 1.00 0.00 C ATOM 1643 NZ LYS A 109 1.860 12.232 6.474 1.00 0.00 N ATOM 0 H LYS A 109 2.386 9.373 1.368 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.402 9.970 1.131 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.403 11.813 2.813 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.332 10.215 3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.329 11.395 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.342 12.336 4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.854 9.939 5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.366 9.522 4.434 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.682 10.303 6.778 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.550 11.286 5.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.323 12.554 7.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.909 12.986 5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.864 12.007 6.672 1.00 0.00 H new ATOM 1657 N TYR A 110 0.229 12.226 0.085 1.00 0.00 N ATOM 1658 CA TYR A 110 0.646 13.292 -0.821 1.00 0.00 C ATOM 1659 C TYR A 110 0.984 14.572 -0.056 1.00 0.00 C ATOM 1660 O TYR A 110 1.295 15.598 -0.659 1.00 0.00 O ATOM 1661 CB TYR A 110 -0.451 13.573 -1.850 1.00 0.00 C ATOM 1662 CG TYR A 110 -1.759 14.024 -1.237 1.00 0.00 C ATOM 1663 CD1 TYR A 110 -2.706 13.101 -0.815 1.00 0.00 C ATOM 1664 CD2 TYR A 110 -2.048 15.376 -1.086 1.00 0.00 C ATOM 1665 CE1 TYR A 110 -3.903 13.510 -0.256 1.00 0.00 C ATOM 1666 CE2 TYR A 110 -3.242 15.792 -0.528 1.00 0.00 C ATOM 1667 CZ TYR A 110 -4.165 14.855 -0.115 1.00 0.00 C ATOM 1668 OH TYR A 110 -5.356 15.267 0.440 1.00 0.00 O ATOM 0 H TYR A 110 -0.777 12.179 0.245 1.00 0.00 H new ATOM 0 HA TYR A 110 1.546 12.957 -1.337 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -0.101 14.339 -2.541 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.627 12.671 -2.436 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -2.505 12.046 -0.925 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -1.328 16.113 -1.410 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -4.629 12.779 0.068 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -3.451 16.846 -0.416 1.00 0.00 H new ATOM 0 HH TYR A 110 -5.382 16.246 0.468 1.00 0.00 H new ATOM 1678 N LYS A 111 0.923 14.506 1.273 1.00 0.00 N ATOM 1679 CA LYS A 111 1.227 15.661 2.112 1.00 0.00 C ATOM 1680 C LYS A 111 0.993 15.335 3.584 1.00 0.00 C ATOM 1681 O LYS A 111 0.334 14.349 3.914 1.00 0.00 O ATOM 1682 CB LYS A 111 0.373 16.864 1.704 1.00 0.00 C ATOM 1683 CG LYS A 111 -1.100 16.534 1.522 1.00 0.00 C ATOM 1684 CD LYS A 111 -1.916 16.935 2.741 1.00 0.00 C ATOM 1685 CE LYS A 111 -2.593 18.283 2.541 1.00 0.00 C ATOM 1686 NZ LYS A 111 -4.028 18.246 2.932 1.00 0.00 N ATOM 0 H LYS A 111 0.666 13.665 1.790 1.00 0.00 H new ATOM 0 HA LYS A 111 2.278 15.911 1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.471 17.642 2.461 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.762 17.275 0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -1.483 17.049 0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -1.215 15.465 1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.670 16.174 2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.267 16.979 3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -2.076 19.040 3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -2.509 18.580 1.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -4.453 19.183 2.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -4.528 17.542 2.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -4.108 17.988 3.936 1.00 0.00 H new ATOM 1700 N ALA A 112 1.538 16.168 4.463 1.00 0.00 N ATOM 1701 CA ALA A 112 1.389 15.966 5.899 1.00 0.00 C ATOM 1702 C ALA A 112 -0.066 16.124 6.329 1.00 0.00 C ATOM 1703 O ALA A 112 -0.791 16.968 5.802 1.00 0.00 O ATOM 1704 CB ALA A 112 2.278 16.936 6.663 1.00 0.00 C ATOM 0 H ALA A 112 2.087 16.989 4.207 1.00 0.00 H new ATOM 0 HA ALA A 112 1.699 14.947 6.132 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.157 16.774 7.734 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.319 16.770 6.386 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.996 17.960 6.417 1.00 0.00 H new ATOM 1710 N MET A 113 -0.484 15.308 7.290 1.00 0.00 N ATOM 1711 CA MET A 113 -1.851 15.356 7.794 1.00 0.00 C ATOM 1712 C MET A 113 -1.994 16.422 8.876 1.00 0.00 C ATOM 1713 O MET A 113 -1.333 16.366 9.912 1.00 0.00 O ATOM 1714 CB MET A 113 -2.258 13.990 8.344 1.00 0.00 C ATOM 1715 CG MET A 113 -2.184 12.876 7.311 1.00 0.00 C ATOM 1716 SD MET A 113 -1.199 11.473 7.867 1.00 0.00 S ATOM 1717 CE MET A 113 -1.822 11.273 9.534 1.00 0.00 C ATOM 0 H MET A 113 0.105 14.605 7.736 1.00 0.00 H new ATOM 0 HA MET A 113 -2.511 15.617 6.967 1.00 0.00 H new ATOM 0 HB2 MET A 113 -1.612 13.738 9.185 1.00 0.00 H new ATOM 0 HB3 MET A 113 -3.276 14.051 8.730 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.193 12.536 7.077 1.00 0.00 H new ATOM 0 HG3 MET A 113 -1.758 13.270 6.388 1.00 0.00 H new ATOM 0 HE1 MET A 113 -1.991 10.215 9.735 1.00 0.00 H new ATOM 0 HE2 MET A 113 -1.094 11.666 10.244 1.00 0.00 H new ATOM 0 HE3 MET A 113 -2.761 11.816 9.639 1.00 0.00 H new ATOM 1727 N LYS A 114 -2.859 17.397 8.617 1.00 0.00 N ATOM 1728 CA LYS A 114 -3.092 18.488 9.556 1.00 0.00 C ATOM 1729 C LYS A 114 -3.864 18.020 10.790 1.00 0.00 C ATOM 1730 O LYS A 114 -3.978 18.758 11.768 1.00 0.00 O ATOM 1731 CB LYS A 114 -3.853 19.621 8.864 1.00 0.00 C ATOM 1732 CG LYS A 114 -3.114 20.950 8.888 1.00 0.00 C ATOM 1733 CD LYS A 114 -2.480 21.263 7.541 1.00 0.00 C ATOM 1734 CE LYS A 114 -1.102 20.633 7.414 1.00 0.00 C ATOM 1735 NZ LYS A 114 -0.219 21.407 6.499 1.00 0.00 N ATOM 0 H LYS A 114 -3.412 17.454 7.762 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.120 18.850 9.890 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.045 19.340 7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.823 19.745 9.346 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.806 21.747 9.159 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.342 20.924 9.657 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.124 20.897 6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.400 22.343 7.417 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.639 20.571 8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.202 19.612 7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.711 20.944 6.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.648 21.445 5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.102 22.374 6.865 1.00 0.00 H new ATOM 1749 N LYS A 115 -4.392 16.796 10.752 1.00 0.00 N ATOM 1750 CA LYS A 115 -5.143 16.269 11.890 1.00 0.00 C ATOM 1751 C LYS A 115 -4.355 15.171 12.609 1.00 0.00 C ATOM 1752 O LYS A 115 -3.134 15.088 12.472 1.00 0.00 O ATOM 1753 CB LYS A 115 -6.534 15.782 11.461 1.00 0.00 C ATOM 1754 CG LYS A 115 -6.579 15.167 10.082 1.00 0.00 C ATOM 1755 CD LYS A 115 -6.000 13.769 10.090 1.00 0.00 C ATOM 1756 CE LYS A 115 -6.875 12.816 10.891 1.00 0.00 C ATOM 1757 NZ LYS A 115 -8.288 12.830 10.421 1.00 0.00 N ATOM 0 H LYS A 115 -4.315 16.160 9.958 1.00 0.00 H new ATOM 0 HA LYS A 115 -5.291 17.083 12.600 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.889 15.048 12.185 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.227 16.623 11.494 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.609 15.135 9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.021 15.791 9.384 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -5.905 13.406 9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -4.997 13.790 10.515 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -6.476 11.805 10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -6.841 13.091 11.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.762 11.954 10.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -8.782 13.648 10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -8.308 12.898 9.383 1.00 0.00 H new ATOM 1771 N GLU A 116 -5.044 14.351 13.400 1.00 0.00 N ATOM 1772 CA GLU A 116 -4.394 13.294 14.159 1.00 0.00 C ATOM 1773 C GLU A 116 -4.007 12.115 13.277 1.00 0.00 C ATOM 1774 O GLU A 116 -4.567 11.917 12.199 1.00 0.00 O ATOM 1775 CB GLU A 116 -5.318 12.821 15.279 1.00 0.00 C ATOM 1776 CG GLU A 116 -5.995 13.954 16.033 1.00 0.00 C ATOM 1777 CD GLU A 116 -5.006 14.971 16.567 1.00 0.00 C ATOM 1778 OE1 GLU A 116 -3.829 14.606 16.770 1.00 0.00 O ATOM 1779 OE2 GLU A 116 -5.409 16.135 16.783 1.00 0.00 O ATOM 0 H GLU A 116 -6.054 14.402 13.530 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.477 13.705 14.582 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -6.083 12.170 14.856 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.742 12.221 15.984 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.703 14.454 15.372 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.570 13.541 16.862 1.00 0.00 H new ATOM 1786 N PHE A 117 -3.048 11.329 13.758 1.00 0.00 N ATOM 1787 CA PHE A 117 -2.581 10.156 13.036 1.00 0.00 C ATOM 1788 C PHE A 117 -3.110 8.887 13.693 1.00 0.00 C ATOM 1789 O PHE A 117 -3.260 8.826 14.914 1.00 0.00 O ATOM 1790 CB PHE A 117 -1.048 10.117 12.988 1.00 0.00 C ATOM 1791 CG PHE A 117 -0.380 10.780 14.161 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -0.260 12.159 14.218 1.00 0.00 C ATOM 1793 CD2 PHE A 117 0.125 10.022 15.205 1.00 0.00 C ATOM 1794 CE1 PHE A 117 0.353 12.770 15.295 1.00 0.00 C ATOM 1795 CE2 PHE A 117 0.739 10.628 16.286 1.00 0.00 C ATOM 1796 CZ PHE A 117 0.854 12.003 16.329 1.00 0.00 C ATOM 0 H PHE A 117 -2.579 11.487 14.650 1.00 0.00 H new ATOM 0 HA PHE A 117 -2.958 10.215 12.015 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -0.723 9.078 12.938 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -0.711 10.600 12.071 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -0.650 12.763 13.412 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.038 8.946 15.174 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.440 13.846 15.328 1.00 0.00 H new ATOM 0 HE2 PHE A 117 1.128 10.027 17.095 1.00 0.00 H new ATOM 0 HZ PHE A 117 1.335 12.479 17.171 1.00 0.00 H new ATOM 1806 N PRO A 118 -3.404 7.854 12.892 1.00 0.00 N ATOM 1807 CA PRO A 118 -3.922 6.588 13.397 1.00 0.00 C ATOM 1808 C PRO A 118 -2.825 5.672 13.909 1.00 0.00 C ATOM 1809 O PRO A 118 -1.694 5.725 13.430 1.00 0.00 O ATOM 1810 CB PRO A 118 -4.592 5.986 12.168 1.00 0.00 C ATOM 1811 CG PRO A 118 -3.789 6.491 11.019 1.00 0.00 C ATOM 1812 CD PRO A 118 -3.258 7.843 11.424 1.00 0.00 C ATOM 0 HA PRO A 118 -4.588 6.724 14.249 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.587 4.897 12.207 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -5.634 6.298 12.091 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -2.972 5.808 10.787 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -4.403 6.569 10.122 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.218 7.970 11.125 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -3.824 8.650 10.960 1.00 0.00 H new ATOM 1820 N SER A 119 -3.171 4.809 14.866 1.00 0.00 N ATOM 1821 CA SER A 119 -2.213 3.852 15.407 1.00 0.00 C ATOM 1822 C SER A 119 -1.872 2.876 14.299 1.00 0.00 C ATOM 1823 O SER A 119 -2.290 1.719 14.305 1.00 0.00 O ATOM 1824 CB SER A 119 -2.798 3.115 16.615 1.00 0.00 C ATOM 1825 OG SER A 119 -2.264 3.615 17.827 1.00 0.00 O ATOM 0 H SER A 119 -4.102 4.755 15.278 1.00 0.00 H new ATOM 0 HA SER A 119 -1.317 4.368 15.752 1.00 0.00 H new ATOM 0 HB2 SER A 119 -3.883 3.223 16.620 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.584 2.049 16.533 1.00 0.00 H new ATOM 0 HG SER A 119 -2.655 3.128 18.582 1.00 0.00 H new ATOM 1831 N ILE A 120 -1.161 3.394 13.312 1.00 0.00 N ATOM 1832 CA ILE A 120 -0.805 2.643 12.132 1.00 0.00 C ATOM 1833 C ILE A 120 0.539 3.118 11.588 1.00 0.00 C ATOM 1834 O ILE A 120 1.404 2.318 11.235 1.00 0.00 O ATOM 1835 CB ILE A 120 -1.912 2.857 11.074 1.00 0.00 C ATOM 1836 CG1 ILE A 120 -3.108 1.959 11.380 1.00 0.00 C ATOM 1837 CG2 ILE A 120 -1.408 2.622 9.665 1.00 0.00 C ATOM 1838 CD1 ILE A 120 -2.829 0.493 11.166 1.00 0.00 C ATOM 0 H ILE A 120 -0.815 4.354 13.312 1.00 0.00 H new ATOM 0 HA ILE A 120 -0.716 1.584 12.376 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.226 3.900 11.128 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -3.414 2.115 12.414 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -3.947 2.257 10.751 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -2.220 2.784 8.956 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.595 3.315 9.449 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -1.046 1.598 9.574 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.722 -0.086 11.402 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -2.552 0.324 10.126 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -2.011 0.180 11.815 1.00 0.00 H new ATOM 1850 N LEU A 121 0.691 4.434 11.527 1.00 0.00 N ATOM 1851 CA LEU A 121 1.911 5.050 11.029 1.00 0.00 C ATOM 1852 C LEU A 121 2.514 5.987 12.074 1.00 0.00 C ATOM 1853 O LEU A 121 3.132 6.996 11.733 1.00 0.00 O ATOM 1854 CB LEU A 121 1.639 5.813 9.724 1.00 0.00 C ATOM 1855 CG LEU A 121 0.393 6.716 9.704 1.00 0.00 C ATOM 1856 CD1 LEU A 121 -0.870 5.898 9.477 1.00 0.00 C ATOM 1857 CD2 LEU A 121 0.281 7.532 10.985 1.00 0.00 C ATOM 0 H LEU A 121 -0.024 5.100 11.820 1.00 0.00 H new ATOM 0 HA LEU A 121 2.629 4.256 10.825 1.00 0.00 H new ATOM 0 HB2 LEU A 121 2.510 6.429 9.501 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.547 5.086 8.917 1.00 0.00 H new ATOM 0 HG LEU A 121 0.504 7.411 8.872 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.736 6.560 9.467 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -0.800 5.378 8.521 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.980 5.169 10.279 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -0.609 8.160 10.940 1.00 0.00 H new ATOM 0 HD22 LEU A 121 0.208 6.859 11.840 1.00 0.00 H new ATOM 0 HD23 LEU A 121 1.164 8.162 11.093 1.00 0.00 H new ATOM 1869 N ARG A 122 2.321 5.647 13.349 1.00 0.00 N ATOM 1870 CA ARG A 122 2.833 6.454 14.460 1.00 0.00 C ATOM 1871 C ARG A 122 4.220 7.018 14.165 1.00 0.00 C ATOM 1872 O ARG A 122 4.503 8.181 14.451 1.00 0.00 O ATOM 1873 CB ARG A 122 2.874 5.621 15.744 1.00 0.00 C ATOM 1874 CG ARG A 122 3.424 4.218 15.548 1.00 0.00 C ATOM 1875 CD ARG A 122 3.220 3.363 16.787 1.00 0.00 C ATOM 1876 NE ARG A 122 4.091 2.191 16.796 1.00 0.00 N ATOM 1877 CZ ARG A 122 4.044 1.239 17.723 1.00 0.00 C ATOM 1878 NH1 ARG A 122 3.173 1.315 18.721 1.00 0.00 N ATOM 1879 NH2 ARG A 122 4.873 0.204 17.656 1.00 0.00 N ATOM 0 H ARG A 122 1.811 4.813 13.640 1.00 0.00 H new ATOM 0 HA ARG A 122 2.153 7.295 14.591 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.484 6.140 16.483 1.00 0.00 H new ATOM 0 HB3 ARG A 122 1.866 5.552 16.154 1.00 0.00 H new ATOM 0 HG2 ARG A 122 2.932 3.749 14.696 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.487 4.272 15.313 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.412 3.963 17.676 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.180 3.041 16.838 1.00 0.00 H new ATOM 0 HE ARG A 122 4.776 2.097 16.046 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.534 2.108 18.781 1.00 0.00 H new ATOM 0 HH12 ARG A 122 3.143 0.581 19.428 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.547 0.139 16.893 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.836 -0.526 18.368 1.00 0.00 H new ATOM 1893 N PHE A 123 5.079 6.188 13.586 1.00 0.00 N ATOM 1894 CA PHE A 123 6.436 6.607 13.250 1.00 0.00 C ATOM 1895 C PHE A 123 7.137 5.558 12.394 1.00 0.00 C ATOM 1896 O PHE A 123 8.355 5.394 12.469 1.00 0.00 O ATOM 1897 CB PHE A 123 7.243 6.868 14.522 1.00 0.00 C ATOM 1898 CG PHE A 123 8.207 8.013 14.399 1.00 0.00 C ATOM 1899 CD1 PHE A 123 7.806 9.214 13.834 1.00 0.00 C ATOM 1900 CD2 PHE A 123 9.512 7.891 14.847 1.00 0.00 C ATOM 1901 CE1 PHE A 123 8.690 10.270 13.717 1.00 0.00 C ATOM 1902 CE2 PHE A 123 10.400 8.943 14.734 1.00 0.00 C ATOM 1903 CZ PHE A 123 9.988 10.134 14.168 1.00 0.00 C ATOM 0 H PHE A 123 4.862 5.222 13.339 1.00 0.00 H new ATOM 0 HA PHE A 123 6.370 7.531 12.675 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.555 7.070 15.343 1.00 0.00 H new ATOM 0 HB3 PHE A 123 7.796 5.965 14.783 1.00 0.00 H new ATOM 0 HD1 PHE A 123 6.791 9.326 13.481 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.839 6.962 15.290 1.00 0.00 H new ATOM 0 HE1 PHE A 123 8.366 11.200 13.274 1.00 0.00 H new ATOM 0 HE2 PHE A 123 11.415 8.835 15.088 1.00 0.00 H new ATOM 0 HZ PHE A 123 10.680 10.958 14.078 1.00 0.00 H new ATOM 1913 N ILE A 124 6.361 4.846 11.586 1.00 0.00 N ATOM 1914 CA ILE A 124 6.897 3.812 10.725 1.00 0.00 C ATOM 1915 C ILE A 124 7.337 4.389 9.380 1.00 0.00 C ATOM 1916 O ILE A 124 7.280 5.601 9.166 1.00 0.00 O ATOM 1917 CB ILE A 124 5.849 2.705 10.504 1.00 0.00 C ATOM 1918 CG1 ILE A 124 4.731 3.190 9.574 1.00 0.00 C ATOM 1919 CG2 ILE A 124 5.276 2.252 11.840 1.00 0.00 C ATOM 1920 CD1 ILE A 124 3.590 2.203 9.425 1.00 0.00 C ATOM 0 H ILE A 124 5.351 4.971 11.513 1.00 0.00 H new ATOM 0 HA ILE A 124 7.771 3.385 11.217 1.00 0.00 H new ATOM 0 HB ILE A 124 6.339 1.856 10.027 1.00 0.00 H new ATOM 0 HG12 ILE A 124 4.337 4.132 9.955 1.00 0.00 H new ATOM 0 HG13 ILE A 124 5.153 3.395 8.590 1.00 0.00 H new ATOM 0 HG21 ILE A 124 4.536 1.469 11.672 1.00 0.00 H new ATOM 0 HG22 ILE A 124 6.079 1.864 12.467 1.00 0.00 H new ATOM 0 HG23 ILE A 124 4.802 3.098 12.338 1.00 0.00 H new ATOM 0 HD11 ILE A 124 2.838 2.615 8.753 1.00 0.00 H new ATOM 0 HD12 ILE A 124 3.970 1.267 9.015 1.00 0.00 H new ATOM 0 HD13 ILE A 124 3.141 2.016 10.401 1.00 0.00 H new ATOM 1932 N THR A 125 7.774 3.517 8.474 1.00 0.00 N ATOM 1933 CA THR A 125 8.222 3.948 7.153 1.00 0.00 C ATOM 1934 C THR A 125 7.115 4.713 6.429 1.00 0.00 C ATOM 1935 O THR A 125 6.210 4.114 5.853 1.00 0.00 O ATOM 1936 CB THR A 125 8.650 2.735 6.323 1.00 0.00 C ATOM 1937 OG1 THR A 125 9.773 2.100 6.909 1.00 0.00 O ATOM 1938 CG2 THR A 125 9.012 3.075 4.891 1.00 0.00 C ATOM 0 H THR A 125 7.827 2.510 8.630 1.00 0.00 H new ATOM 0 HA THR A 125 9.075 4.614 7.279 1.00 0.00 H new ATOM 0 HB THR A 125 7.781 2.078 6.310 1.00 0.00 H new ATOM 0 HG1 THR A 125 10.031 1.326 6.366 1.00 0.00 H new ATOM 0 HG21 THR A 125 9.305 2.167 4.364 1.00 0.00 H new ATOM 0 HG22 THR A 125 8.150 3.521 4.394 1.00 0.00 H new ATOM 0 HG23 THR A 125 9.841 3.782 4.883 1.00 0.00 H new ATOM 1946 N VAL A 126 7.193 6.040 6.466 1.00 0.00 N ATOM 1947 CA VAL A 126 6.197 6.879 5.820 1.00 0.00 C ATOM 1948 C VAL A 126 6.792 7.662 4.653 1.00 0.00 C ATOM 1949 O VAL A 126 7.879 8.230 4.761 1.00 0.00 O ATOM 1950 CB VAL A 126 5.567 7.864 6.824 1.00 0.00 C ATOM 1951 CG1 VAL A 126 6.593 8.882 7.303 1.00 0.00 C ATOM 1952 CG2 VAL A 126 4.359 8.557 6.211 1.00 0.00 C ATOM 0 H VAL A 126 7.937 6.555 6.937 1.00 0.00 H new ATOM 0 HA VAL A 126 5.425 6.212 5.436 1.00 0.00 H new ATOM 0 HB VAL A 126 5.229 7.296 7.691 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.124 9.566 8.011 1.00 0.00 H new ATOM 0 HG12 VAL A 126 7.419 8.364 7.791 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.972 9.446 6.450 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.929 9.248 6.936 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.668 9.109 5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 126 3.614 7.812 5.934 1.00 0.00 H new ATOM 1962 N CYS A 127 6.067 7.689 3.537 1.00 0.00 N ATOM 1963 CA CYS A 127 6.516 8.405 2.348 1.00 0.00 C ATOM 1964 C CYS A 127 5.654 9.639 2.102 1.00 0.00 C ATOM 1965 O CYS A 127 4.548 9.540 1.570 1.00 0.00 O ATOM 1966 CB CYS A 127 6.474 7.486 1.128 1.00 0.00 C ATOM 1967 SG CYS A 127 7.110 8.241 -0.387 1.00 0.00 S ATOM 0 H CYS A 127 5.166 7.223 3.432 1.00 0.00 H new ATOM 0 HA CYS A 127 7.544 8.728 2.513 1.00 0.00 H new ATOM 0 HB2 CYS A 127 7.052 6.587 1.344 1.00 0.00 H new ATOM 0 HB3 CYS A 127 5.444 7.170 0.959 1.00 0.00 H new ATOM 0 HG CYS A 127 8.382 8.473 -0.255 1.00 0.00 H new ATOM 1973 N ASP A 128 6.165 10.802 2.494 1.00 0.00 N ATOM 1974 CA ASP A 128 5.439 12.056 2.315 1.00 0.00 C ATOM 1975 C ASP A 128 6.229 13.025 1.442 1.00 0.00 C ATOM 1976 O ASP A 128 7.458 13.072 1.505 1.00 0.00 O ATOM 1977 CB ASP A 128 5.147 12.697 3.673 1.00 0.00 C ATOM 1978 CG ASP A 128 3.914 13.579 3.643 1.00 0.00 C ATOM 1979 OD1 ASP A 128 3.111 13.446 2.695 1.00 0.00 O ATOM 1980 OD2 ASP A 128 3.750 14.399 4.569 1.00 0.00 O ATOM 0 H ASP A 128 7.078 10.903 2.937 1.00 0.00 H new ATOM 0 HA ASP A 128 4.497 11.832 1.815 1.00 0.00 H new ATOM 0 HB2 ASP A 128 5.012 11.914 4.420 1.00 0.00 H new ATOM 0 HB3 ASP A 128 6.007 13.290 3.984 1.00 0.00 H new ATOM 1985 N TYR A 129 5.516 13.797 0.630 1.00 0.00 N ATOM 1986 CA TYR A 129 6.153 14.765 -0.254 1.00 0.00 C ATOM 1987 C TYR A 129 6.695 15.948 0.536 1.00 0.00 C ATOM 1988 O TYR A 129 6.052 16.994 0.630 1.00 0.00 O ATOM 1989 CB TYR A 129 5.170 15.255 -1.316 1.00 0.00 C ATOM 1990 CG TYR A 129 4.713 14.169 -2.264 1.00 0.00 C ATOM 1991 CD1 TYR A 129 5.622 13.267 -2.804 1.00 0.00 C ATOM 1992 CD2 TYR A 129 3.376 14.042 -2.615 1.00 0.00 C ATOM 1993 CE1 TYR A 129 5.210 12.271 -3.669 1.00 0.00 C ATOM 1994 CE2 TYR A 129 2.956 13.048 -3.479 1.00 0.00 C ATOM 1995 CZ TYR A 129 3.876 12.166 -4.003 1.00 0.00 C ATOM 1996 OH TYR A 129 3.463 11.174 -4.863 1.00 0.00 O ATOM 0 H TYR A 129 4.498 13.771 0.566 1.00 0.00 H new ATOM 0 HA TYR A 129 6.986 14.266 -0.749 1.00 0.00 H new ATOM 0 HB2 TYR A 129 4.299 15.685 -0.822 1.00 0.00 H new ATOM 0 HB3 TYR A 129 5.637 16.055 -1.891 1.00 0.00 H new ATOM 0 HD1 TYR A 129 6.667 13.346 -2.543 1.00 0.00 H new ATOM 0 HD2 TYR A 129 2.652 14.731 -2.206 1.00 0.00 H new ATOM 0 HE1 TYR A 129 5.929 11.578 -4.081 1.00 0.00 H new ATOM 0 HE2 TYR A 129 1.912 12.963 -3.742 1.00 0.00 H new ATOM 0 HH TYR A 129 2.494 11.237 -4.994 1.00 0.00 H new ATOM 2006 N THR A 130 7.889 15.779 1.090 1.00 0.00 N ATOM 2007 CA THR A 130 8.530 16.836 1.860 1.00 0.00 C ATOM 2008 C THR A 130 9.423 17.666 0.948 1.00 0.00 C ATOM 2009 O THR A 130 9.570 18.875 1.123 1.00 0.00 O ATOM 2010 CB THR A 130 9.351 16.243 3.005 1.00 0.00 C ATOM 2011 OG1 THR A 130 10.160 17.238 3.610 1.00 0.00 O ATOM 2012 CG2 THR A 130 10.261 15.116 2.567 1.00 0.00 C ATOM 0 H THR A 130 8.433 14.919 1.020 1.00 0.00 H new ATOM 0 HA THR A 130 7.759 17.477 2.287 1.00 0.00 H new ATOM 0 HB THR A 130 8.620 15.846 3.709 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.677 16.840 4.341 1.00 0.00 H new ATOM 0 HG21 THR A 130 10.815 14.740 3.427 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.663 14.311 2.140 1.00 0.00 H new ATOM 0 HG23 THR A 130 10.961 15.484 1.817 1.00 0.00 H new ATOM 2020 N ASN A 131 10.002 16.993 -0.037 1.00 0.00 N ATOM 2021 CA ASN A 131 10.872 17.633 -1.009 1.00 0.00 C ATOM 2022 C ASN A 131 10.923 16.798 -2.286 1.00 0.00 C ATOM 2023 O ASN A 131 12.001 16.444 -2.763 1.00 0.00 O ATOM 2024 CB ASN A 131 12.279 17.807 -0.435 1.00 0.00 C ATOM 2025 CG ASN A 131 12.445 19.126 0.297 1.00 0.00 C ATOM 2026 OD1 ASN A 131 12.007 19.277 1.436 1.00 0.00 O ATOM 2027 ND2 ASN A 131 13.082 20.089 -0.359 1.00 0.00 N ATOM 0 H ASN A 131 9.881 15.991 -0.183 1.00 0.00 H new ATOM 0 HA ASN A 131 10.472 18.619 -1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 131 12.494 16.986 0.248 1.00 0.00 H new ATOM 0 HB3 ASN A 131 13.008 17.749 -1.243 1.00 0.00 H new ATOM 0 HD21 ASN A 131 13.224 20.998 0.081 1.00 0.00 H new ATOM 0 HD22 ASN A 131 13.429 19.920 -1.303 1.00 0.00 H new ATOM 2034 N PRO A 132 9.746 16.465 -2.859 1.00 0.00 N ATOM 2035 CA PRO A 132 9.661 15.664 -4.081 1.00 0.00 C ATOM 2036 C PRO A 132 10.678 16.098 -5.121 1.00 0.00 C ATOM 2037 O PRO A 132 11.173 15.288 -5.901 1.00 0.00 O ATOM 2038 CB PRO A 132 8.245 15.936 -4.577 1.00 0.00 C ATOM 2039 CG PRO A 132 7.463 16.197 -3.340 1.00 0.00 C ATOM 2040 CD PRO A 132 8.409 16.842 -2.360 1.00 0.00 C ATOM 0 HA PRO A 132 9.870 14.610 -3.898 1.00 0.00 H new ATOM 0 HB2 PRO A 132 8.218 16.791 -5.252 1.00 0.00 H new ATOM 0 HB3 PRO A 132 7.846 15.084 -5.127 1.00 0.00 H new ATOM 0 HG2 PRO A 132 6.616 16.851 -3.548 1.00 0.00 H new ATOM 0 HG3 PRO A 132 7.058 15.270 -2.935 1.00 0.00 H new ATOM 0 HD2 PRO A 132 8.282 17.924 -2.335 1.00 0.00 H new ATOM 0 HD3 PRO A 132 8.243 16.478 -1.346 1.00 0.00 H new ATOM 2048 N CYS A 133 10.985 17.388 -5.113 1.00 0.00 N ATOM 2049 CA CYS A 133 11.956 17.956 -6.049 1.00 0.00 C ATOM 2050 C CYS A 133 13.181 17.053 -6.167 1.00 0.00 C ATOM 2051 O CYS A 133 13.728 16.864 -7.253 1.00 0.00 O ATOM 2052 CB CYS A 133 12.376 19.356 -5.591 1.00 0.00 C ATOM 2053 SG CYS A 133 12.163 20.636 -6.851 1.00 0.00 S ATOM 0 H CYS A 133 10.577 18.065 -4.469 1.00 0.00 H new ATOM 0 HA CYS A 133 11.486 18.031 -7.029 1.00 0.00 H new ATOM 0 HB2 CYS A 133 11.796 19.628 -4.709 1.00 0.00 H new ATOM 0 HB3 CYS A 133 13.423 19.329 -5.288 1.00 0.00 H new ATOM 0 HG CYS A 133 12.542 21.784 -6.372 1.00 0.00 H new ATOM 2059 N THR A 134 13.591 16.487 -5.037 1.00 0.00 N ATOM 2060 CA THR A 134 14.737 15.588 -4.998 1.00 0.00 C ATOM 2061 C THR A 134 14.331 14.221 -4.458 1.00 0.00 C ATOM 2062 O THR A 134 14.885 13.194 -4.853 1.00 0.00 O ATOM 2063 CB THR A 134 15.855 16.181 -4.136 1.00 0.00 C ATOM 2064 OG1 THR A 134 16.934 15.271 -4.020 1.00 0.00 O ATOM 2065 CG2 THR A 134 15.405 16.541 -2.737 1.00 0.00 C ATOM 0 H THR A 134 13.144 16.636 -4.132 1.00 0.00 H new ATOM 0 HA THR A 134 15.106 15.465 -6.016 1.00 0.00 H new ATOM 0 HB THR A 134 16.161 17.094 -4.647 1.00 0.00 H new ATOM 0 HG1 THR A 134 17.639 15.668 -3.467 1.00 0.00 H new ATOM 0 HG21 THR A 134 16.245 16.956 -2.180 1.00 0.00 H new ATOM 0 HG22 THR A 134 14.605 17.280 -2.791 1.00 0.00 H new ATOM 0 HG23 THR A 134 15.040 15.647 -2.231 1.00 0.00 H new ATOM 2073 N LYS A 135 13.352 14.214 -3.558 1.00 0.00 N ATOM 2074 CA LYS A 135 12.859 12.977 -2.967 1.00 0.00 C ATOM 2075 C LYS A 135 11.984 12.205 -3.957 1.00 0.00 C ATOM 2076 O LYS A 135 11.539 11.096 -3.665 1.00 0.00 O ATOM 2077 CB LYS A 135 12.064 13.276 -1.696 1.00 0.00 C ATOM 2078 CG LYS A 135 12.792 14.186 -0.722 1.00 0.00 C ATOM 2079 CD LYS A 135 12.469 13.828 0.720 1.00 0.00 C ATOM 2080 CE LYS A 135 13.387 12.736 1.243 1.00 0.00 C ATOM 2081 NZ LYS A 135 14.782 13.225 1.424 1.00 0.00 N ATOM 0 H LYS A 135 12.884 15.056 -3.222 1.00 0.00 H new ATOM 0 HA LYS A 135 13.721 12.359 -2.714 1.00 0.00 H new ATOM 0 HB2 LYS A 135 11.115 13.737 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 135 11.828 12.337 -1.196 1.00 0.00 H new ATOM 0 HG2 LYS A 135 13.867 14.110 -0.885 1.00 0.00 H new ATOM 0 HG3 LYS A 135 12.513 15.222 -0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 135 12.564 14.715 1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 135 11.433 13.498 0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 135 13.006 12.365 2.194 1.00 0.00 H new ATOM 0 HE3 LYS A 135 13.384 11.895 0.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 15.284 12.604 2.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 15.274 13.218 0.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 14.764 14.194 1.800 1.00 0.00 H new ATOM 2095 N SER A 136 11.730 12.802 -5.125 1.00 0.00 N ATOM 2096 CA SER A 136 10.900 12.173 -6.150 1.00 0.00 C ATOM 2097 C SER A 136 11.257 10.697 -6.338 1.00 0.00 C ATOM 2098 O SER A 136 10.410 9.891 -6.721 1.00 0.00 O ATOM 2099 CB SER A 136 11.049 12.918 -7.479 1.00 0.00 C ATOM 2100 OG SER A 136 9.800 13.416 -7.927 1.00 0.00 O ATOM 0 H SER A 136 12.089 13.721 -5.382 1.00 0.00 H new ATOM 0 HA SER A 136 9.864 12.228 -5.816 1.00 0.00 H new ATOM 0 HB2 SER A 136 11.752 13.743 -7.360 1.00 0.00 H new ATOM 0 HB3 SER A 136 11.468 12.248 -8.230 1.00 0.00 H new ATOM 0 HG SER A 136 9.922 13.889 -8.776 1.00 0.00 H new ATOM 2106 N TRP A 137 12.512 10.352 -6.062 1.00 0.00 N ATOM 2107 CA TRP A 137 12.973 8.974 -6.199 1.00 0.00 C ATOM 2108 C TRP A 137 12.129 8.021 -5.353 1.00 0.00 C ATOM 2109 O TRP A 137 12.121 6.813 -5.590 1.00 0.00 O ATOM 2110 CB TRP A 137 14.444 8.863 -5.795 1.00 0.00 C ATOM 2111 CG TRP A 137 15.339 9.799 -6.550 1.00 0.00 C ATOM 2112 CD1 TRP A 137 16.002 10.883 -6.048 1.00 0.00 C ATOM 2113 CD2 TRP A 137 15.667 9.735 -7.942 1.00 0.00 C ATOM 2114 NE1 TRP A 137 16.722 11.496 -7.044 1.00 0.00 N ATOM 2115 CE2 TRP A 137 16.534 10.811 -8.214 1.00 0.00 C ATOM 2116 CE3 TRP A 137 15.314 8.873 -8.983 1.00 0.00 C ATOM 2117 CZ2 TRP A 137 17.052 11.045 -9.487 1.00 0.00 C ATOM 2118 CZ3 TRP A 137 15.829 9.108 -10.245 1.00 0.00 C ATOM 2119 CH2 TRP A 137 16.689 10.186 -10.487 1.00 0.00 C ATOM 0 H TRP A 137 13.226 11.006 -5.743 1.00 0.00 H new ATOM 0 HA TRP A 137 12.865 8.689 -7.246 1.00 0.00 H new ATOM 0 HB2 TRP A 137 14.537 9.065 -4.728 1.00 0.00 H new ATOM 0 HB3 TRP A 137 14.782 7.839 -5.956 1.00 0.00 H new ATOM 0 HD1 TRP A 137 15.965 11.210 -5.019 1.00 0.00 H new ATOM 0 HE1 TRP A 137 17.303 12.327 -6.930 1.00 0.00 H new ATOM 0 HE3 TRP A 137 14.651 8.039 -8.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 137 17.716 11.875 -9.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 137 15.563 8.448 -11.058 1.00 0.00 H new ATOM 0 HH2 TRP A 137 17.074 10.342 -11.484 1.00 0.00 H new ATOM 2130 N PHE A 138 11.424 8.568 -4.362 1.00 0.00 N ATOM 2131 CA PHE A 138 10.579 7.764 -3.480 1.00 0.00 C ATOM 2132 C PHE A 138 9.746 6.760 -4.274 1.00 0.00 C ATOM 2133 O PHE A 138 9.448 5.668 -3.790 1.00 0.00 O ATOM 2134 CB PHE A 138 9.658 8.671 -2.660 1.00 0.00 C ATOM 2135 CG PHE A 138 10.125 8.883 -1.248 1.00 0.00 C ATOM 2136 CD1 PHE A 138 10.318 7.804 -0.399 1.00 0.00 C ATOM 2137 CD2 PHE A 138 10.371 10.160 -0.769 1.00 0.00 C ATOM 2138 CE1 PHE A 138 10.747 7.995 0.899 1.00 0.00 C ATOM 2139 CE2 PHE A 138 10.800 10.356 0.530 1.00 0.00 C ATOM 2140 CZ PHE A 138 10.989 9.274 1.365 1.00 0.00 C ATOM 0 H PHE A 138 11.422 9.566 -4.150 1.00 0.00 H new ATOM 0 HA PHE A 138 11.232 7.208 -2.807 1.00 0.00 H new ATOM 0 HB2 PHE A 138 9.578 9.638 -3.157 1.00 0.00 H new ATOM 0 HB3 PHE A 138 8.658 8.238 -2.642 1.00 0.00 H new ATOM 0 HD1 PHE A 138 10.131 6.803 -0.757 1.00 0.00 H new ATOM 0 HD2 PHE A 138 10.226 11.011 -1.418 1.00 0.00 H new ATOM 0 HE1 PHE A 138 10.894 7.146 1.550 1.00 0.00 H new ATOM 0 HE2 PHE A 138 10.987 11.356 0.892 1.00 0.00 H new ATOM 0 HZ PHE A 138 11.325 9.426 2.380 1.00 0.00 H new ATOM 2150 N TRP A 139 9.379 7.133 -5.496 1.00 0.00 N ATOM 2151 CA TRP A 139 8.587 6.260 -6.355 1.00 0.00 C ATOM 2152 C TRP A 139 9.308 4.937 -6.587 1.00 0.00 C ATOM 2153 O TRP A 139 8.681 3.882 -6.671 1.00 0.00 O ATOM 2154 CB TRP A 139 8.305 6.942 -7.695 1.00 0.00 C ATOM 2155 CG TRP A 139 7.022 7.716 -7.716 1.00 0.00 C ATOM 2156 CD1 TRP A 139 5.915 7.494 -6.946 1.00 0.00 C ATOM 2157 CD2 TRP A 139 6.710 8.836 -8.553 1.00 0.00 C ATOM 2158 NE1 TRP A 139 4.936 8.408 -7.252 1.00 0.00 N ATOM 2159 CE2 TRP A 139 5.400 9.242 -8.235 1.00 0.00 C ATOM 2160 CE3 TRP A 139 7.412 9.536 -9.538 1.00 0.00 C ATOM 2161 CZ2 TRP A 139 4.779 10.316 -8.869 1.00 0.00 C ATOM 2162 CZ3 TRP A 139 6.794 10.601 -10.167 1.00 0.00 C ATOM 2163 CH2 TRP A 139 5.490 10.983 -9.830 1.00 0.00 C ATOM 0 H TRP A 139 9.617 8.033 -5.913 1.00 0.00 H new ATOM 0 HA TRP A 139 7.640 6.059 -5.855 1.00 0.00 H new ATOM 0 HB2 TRP A 139 9.129 7.615 -7.931 1.00 0.00 H new ATOM 0 HB3 TRP A 139 8.276 6.186 -8.479 1.00 0.00 H new ATOM 0 HD1 TRP A 139 5.823 6.714 -6.205 1.00 0.00 H new ATOM 0 HE1 TRP A 139 4.014 8.458 -6.818 1.00 0.00 H new ATOM 0 HE3 TRP A 139 8.419 9.250 -9.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 3.773 10.612 -8.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 7.326 11.148 -10.931 1.00 0.00 H new ATOM 0 HH2 TRP A 139 5.036 11.821 -10.338 1.00 0.00 H new ATOM 2174 N THR A 140 10.632 5.006 -6.687 1.00 0.00 N ATOM 2175 CA THR A 140 11.446 3.816 -6.905 1.00 0.00 C ATOM 2176 C THR A 140 11.611 3.030 -5.609 1.00 0.00 C ATOM 2177 O THR A 140 11.623 1.799 -5.615 1.00 0.00 O ATOM 2178 CB THR A 140 12.817 4.210 -7.458 1.00 0.00 C ATOM 2179 OG1 THR A 140 12.681 4.906 -8.684 1.00 0.00 O ATOM 2180 CG2 THR A 140 13.729 3.027 -7.703 1.00 0.00 C ATOM 0 H THR A 140 11.164 5.874 -6.620 1.00 0.00 H new ATOM 0 HA THR A 140 10.938 3.181 -7.631 1.00 0.00 H new ATOM 0 HB THR A 140 13.266 4.841 -6.691 1.00 0.00 H new ATOM 0 HG1 THR A 140 13.568 5.151 -9.021 1.00 0.00 H new ATOM 0 HG21 THR A 140 14.684 3.378 -8.095 1.00 0.00 H new ATOM 0 HG22 THR A 140 13.895 2.495 -6.766 1.00 0.00 H new ATOM 0 HG23 THR A 140 13.266 2.354 -8.425 1.00 0.00 H new ATOM 2188 N ARG A 141 11.736 3.750 -4.497 1.00 0.00 N ATOM 2189 CA ARG A 141 11.900 3.121 -3.191 1.00 0.00 C ATOM 2190 C ARG A 141 10.739 2.178 -2.892 1.00 0.00 C ATOM 2191 O ARG A 141 10.943 1.049 -2.446 1.00 0.00 O ATOM 2192 CB ARG A 141 12.001 4.187 -2.098 1.00 0.00 C ATOM 2193 CG ARG A 141 13.293 4.986 -2.144 1.00 0.00 C ATOM 2194 CD ARG A 141 13.284 6.117 -1.129 1.00 0.00 C ATOM 2195 NE ARG A 141 13.318 5.621 0.244 1.00 0.00 N ATOM 2196 CZ ARG A 141 14.425 5.200 0.853 1.00 0.00 C ATOM 2197 NH1 ARG A 141 15.588 5.211 0.212 1.00 0.00 N ATOM 2198 NH2 ARG A 141 14.369 4.764 2.103 1.00 0.00 N ATOM 0 H ARG A 141 11.727 4.770 -4.475 1.00 0.00 H new ATOM 0 HA ARG A 141 12.822 2.539 -3.208 1.00 0.00 H new ATOM 0 HB2 ARG A 141 11.157 4.871 -2.190 1.00 0.00 H new ATOM 0 HB3 ARG A 141 11.916 3.706 -1.124 1.00 0.00 H new ATOM 0 HG2 ARG A 141 14.138 4.326 -1.947 1.00 0.00 H new ATOM 0 HG3 ARG A 141 13.434 5.395 -3.145 1.00 0.00 H new ATOM 0 HD2 ARG A 141 14.143 6.766 -1.301 1.00 0.00 H new ATOM 0 HD3 ARG A 141 12.391 6.726 -1.272 1.00 0.00 H new ATOM 0 HE ARG A 141 12.443 5.595 0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 141 15.636 5.543 -0.751 1.00 0.00 H new ATOM 0 HH12 ARG A 141 16.433 4.888 0.683 1.00 0.00 H new ATOM 0 HH21 ARG A 141 13.478 4.751 2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 141 15.217 4.442 2.569 1.00 0.00 H new ATOM 2212 N LEU A 142 9.521 2.649 -3.143 1.00 0.00 N ATOM 2213 CA LEU A 142 8.328 1.846 -2.903 1.00 0.00 C ATOM 2214 C LEU A 142 8.163 0.787 -3.987 1.00 0.00 C ATOM 2215 O LEU A 142 7.676 -0.314 -3.726 1.00 0.00 O ATOM 2216 CB LEU A 142 7.088 2.740 -2.853 1.00 0.00 C ATOM 2217 CG LEU A 142 5.954 2.225 -1.962 1.00 0.00 C ATOM 2218 CD1 LEU A 142 6.424 2.099 -0.521 1.00 0.00 C ATOM 2219 CD2 LEU A 142 4.747 3.146 -2.054 1.00 0.00 C ATOM 0 H LEU A 142 9.335 3.582 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 142 8.443 1.344 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 142 7.385 3.728 -2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 142 6.706 2.863 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 142 5.659 1.236 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 142 5.605 1.732 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 142 7.259 1.400 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 142 6.745 3.075 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 142 3.950 2.766 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 142 5.028 4.147 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 142 4.397 3.186 -3.086 1.00 0.00 H new ATOM 2231 N ALA A 143 8.574 1.127 -5.204 1.00 0.00 N ATOM 2232 CA ALA A 143 8.474 0.205 -6.329 1.00 0.00 C ATOM 2233 C ALA A 143 9.438 -0.965 -6.166 1.00 0.00 C ATOM 2234 O ALA A 143 9.146 -2.086 -6.582 1.00 0.00 O ATOM 2235 CB ALA A 143 8.743 0.938 -7.635 1.00 0.00 C ATOM 0 H ALA A 143 8.979 2.034 -5.436 1.00 0.00 H new ATOM 0 HA ALA A 143 7.460 -0.195 -6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 143 8.665 0.239 -8.467 1.00 0.00 H new ATOM 0 HB2 ALA A 143 8.011 1.736 -7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 143 9.745 1.365 -7.613 1.00 0.00 H new ATOM 2241 N LYS A 144 10.589 -0.698 -5.554 1.00 0.00 N ATOM 2242 CA LYS A 144 11.595 -1.730 -5.331 1.00 0.00 C ATOM 2243 C LYS A 144 11.316 -2.493 -4.038 1.00 0.00 C ATOM 2244 O LYS A 144 11.722 -3.645 -3.887 1.00 0.00 O ATOM 2245 CB LYS A 144 12.993 -1.111 -5.284 1.00 0.00 C ATOM 2246 CG LYS A 144 13.221 -0.206 -4.082 1.00 0.00 C ATOM 2247 CD LYS A 144 14.548 -0.505 -3.402 1.00 0.00 C ATOM 2248 CE LYS A 144 14.573 -1.911 -2.824 1.00 0.00 C ATOM 2249 NZ LYS A 144 15.710 -2.104 -1.881 1.00 0.00 N ATOM 0 H LYS A 144 10.847 0.225 -5.204 1.00 0.00 H new ATOM 0 HA LYS A 144 11.547 -2.433 -6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 144 13.734 -1.910 -5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 144 13.158 -0.537 -6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 144 13.201 0.836 -4.401 1.00 0.00 H new ATOM 0 HG3 LYS A 144 12.408 -0.336 -3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 144 15.360 -0.391 -4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 144 14.722 0.220 -2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 144 13.634 -2.107 -2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 144 14.647 -2.636 -3.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 15.692 -3.075 -1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 16.607 -1.942 -2.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 15.626 -1.430 -1.093 1.00 0.00 H new ATOM 2263 N ALA A 145 10.620 -1.843 -3.111 1.00 0.00 N ATOM 2264 CA ALA A 145 10.286 -2.460 -1.834 1.00 0.00 C ATOM 2265 C ALA A 145 9.056 -3.354 -1.960 1.00 0.00 C ATOM 2266 O ALA A 145 8.813 -4.214 -1.113 1.00 0.00 O ATOM 2267 CB ALA A 145 10.058 -1.391 -0.777 1.00 0.00 C ATOM 0 H ALA A 145 10.277 -0.889 -3.221 1.00 0.00 H new ATOM 0 HA ALA A 145 11.126 -3.085 -1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 145 9.809 -1.865 0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 145 10.964 -0.797 -0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 145 9.237 -0.744 -1.085 1.00 0.00 H new ATOM 2273 N LEU A 146 8.283 -3.146 -3.022 1.00 0.00 N ATOM 2274 CA LEU A 146 7.080 -3.932 -3.258 1.00 0.00 C ATOM 2275 C LEU A 146 7.406 -5.192 -4.053 1.00 0.00 C ATOM 2276 O LEU A 146 6.723 -6.210 -3.931 1.00 0.00 O ATOM 2277 CB LEU A 146 6.040 -3.095 -4.011 1.00 0.00 C ATOM 2278 CG LEU A 146 4.953 -2.468 -3.136 1.00 0.00 C ATOM 2279 CD1 LEU A 146 5.572 -1.692 -1.984 1.00 0.00 C ATOM 2280 CD2 LEU A 146 4.060 -1.562 -3.972 1.00 0.00 C ATOM 0 H LEU A 146 8.470 -2.439 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 146 6.670 -4.227 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 146 6.557 -2.299 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 146 5.562 -3.726 -4.760 1.00 0.00 H new ATOM 0 HG LEU A 146 4.342 -3.268 -2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 146 4.782 -1.254 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 146 6.172 -2.366 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 146 6.207 -0.899 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 146 3.291 -1.123 -3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 146 4.661 -0.768 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 146 3.588 -2.145 -4.762 1.00 0.00 H new ATOM 2292 N SER A 147 8.454 -5.117 -4.868 1.00 0.00 N ATOM 2293 CA SER A 147 8.871 -6.249 -5.682 1.00 0.00 C ATOM 2294 C SER A 147 10.374 -6.487 -5.561 1.00 0.00 C ATOM 2295 O SER A 147 11.075 -6.621 -6.564 1.00 0.00 O ATOM 2296 CB SER A 147 8.493 -6.016 -7.146 1.00 0.00 C ATOM 2297 OG SER A 147 9.203 -4.917 -7.688 1.00 0.00 O ATOM 0 H SER A 147 9.029 -4.282 -4.981 1.00 0.00 H new ATOM 0 HA SER A 147 8.354 -7.137 -5.317 1.00 0.00 H new ATOM 0 HB2 SER A 147 8.707 -6.913 -7.727 1.00 0.00 H new ATOM 0 HB3 SER A 147 7.421 -5.834 -7.223 1.00 0.00 H new ATOM 0 HG SER A 147 9.084 -4.134 -7.111 1.00 0.00 H new