USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 795 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 99 TYR OH : rot -1:sc= 0.174 USER MOD Set 1.2: A 126 HIS : no HE2:sc= 0.141 K(o=0.31,f=-0.47) USER MOD Set 2.1: A 62 GLN :FLIP amide:sc= -0.26 F(o=-5.3,f=-4.1) USER MOD Set 2.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 122 ASN : amide:sc= -2.21! C(o=-4.1!,f=-7.8!) USER MOD Set 2.4: A 124 MET CE :methyl 140:sc= -1.6 (180deg=-3.47!) USER MOD Set 3.1: A 104 SER OG : rot -89:sc= 1.27 USER MOD Set 3.2: A 120 SER OG : rot -129:sc= 0.93 USER MOD Set 4.1: A 113 SER OG : rot 180:sc= 1.1 USER MOD Set 4.2: A 115 SER OG : rot 103:sc= 1.01 USER MOD Set 5.1: A 91 SER OG : rot 175:sc= -0.761 USER MOD Set 5.2: A 131 THR OG1 : rot 122:sc= 0.0624 USER MOD Set 6.1: A 47 GLN : amide:sc= -2.99! C(o=-0.76!,f=-4.5!) USER MOD Set 6.2: A 58 MET CE :methyl -106:sc= -0.242 (180deg=-0.198) USER MOD Set 6.3: A 98 THR OG1 : rot 86:sc= 0.985 USER MOD Set 6.4: A 127 SER OG : rot -60:sc= 1.48 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot -42:sc= -1.07! USER MOD Single : A 40 SER OG : rot -170:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 42 SER OG : rot 138:sc= 1.38 USER MOD Single : A 43 LYS NZ :NH3+ 162:sc= -0.0889 (180deg=-0.39) USER MOD Single : A 45 GLN : amide:sc= 0.00113 K(o=0.0011,f=-0.94) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0878) USER MOD Single : A 57 HIS : no HE2:sc= 0.656 K(o=0.66,f=-5.5!) USER MOD Single : A 61 SER OG : rot 64:sc= -1.8! USER MOD Single : A 63 SER OG : rot 80:sc= 1.29 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.015 X(o=-0.015,f=-0.47) USER MOD Single : A 78 SER OG : rot 60:sc= 1.26 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.823 K(o=-0.82,f=-5!) USER MOD Single : A 85 ASN : amide:sc= -0.203 K(o=-0.2,f=-1.2) USER MOD Single : A 97 LYS NZ :NH3+ -175:sc= 0.991 (180deg=0.984) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.516 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc=-0.000311 F(o=-1.3!,f=-0.00031) USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HE2:sc= -1.65! C(o=-1.7!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -7.940 -1.357 11.758 1.00 0.00 N ATOM 24 CA LEU A 26 -6.625 -0.847 11.407 1.00 0.00 C ATOM 25 C LEU A 26 -6.740 0.098 10.222 1.00 0.00 C ATOM 26 O LEU A 26 -6.519 -0.291 9.077 1.00 0.00 O ATOM 27 CB LEU A 26 -5.664 -1.995 11.078 1.00 0.00 C ATOM 28 CG LEU A 26 -5.345 -2.938 12.238 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.416 -4.048 11.780 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.720 -2.175 13.399 1.00 0.00 C ATOM 0 HA LEU A 26 -6.223 -0.304 12.262 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.090 -2.580 10.263 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.730 -1.570 10.711 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.280 -3.382 12.581 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.199 -4.710 12.618 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.894 -4.617 10.983 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.487 -3.615 11.410 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.501 -2.866 14.213 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.796 -1.701 13.068 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.415 -1.411 13.748 1.00 0.00 H new ATOM 42 N SER A 27 -7.107 1.337 10.498 1.00 0.00 N ATOM 43 CA SER A 27 -7.290 2.320 9.446 1.00 0.00 C ATOM 44 C SER A 27 -5.953 2.948 9.078 1.00 0.00 C ATOM 45 O SER A 27 -5.153 3.270 9.957 1.00 0.00 O ATOM 46 CB SER A 27 -8.254 3.411 9.914 1.00 0.00 C ATOM 47 OG SER A 27 -9.429 2.853 10.478 1.00 0.00 O ATOM 0 H SER A 27 -7.284 1.685 11.440 1.00 0.00 H new ATOM 0 HA SER A 27 -7.705 1.822 8.570 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.760 4.044 10.651 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.520 4.050 9.072 1.00 0.00 H new ATOM 0 HG SER A 27 -10.026 3.573 10.770 1.00 0.00 H new ATOM 53 N TRP A 28 -5.713 3.140 7.784 1.00 0.00 N ATOM 54 CA TRP A 28 -4.488 3.798 7.325 1.00 0.00 C ATOM 55 C TRP A 28 -4.558 5.305 7.569 1.00 0.00 C ATOM 56 O TRP A 28 -3.762 6.078 7.040 1.00 0.00 O ATOM 57 CB TRP A 28 -4.217 3.496 5.839 1.00 0.00 C ATOM 58 CG TRP A 28 -5.212 4.070 4.862 1.00 0.00 C ATOM 59 CD1 TRP A 28 -6.385 4.721 5.136 1.00 0.00 C ATOM 60 CD2 TRP A 28 -5.103 4.037 3.433 1.00 0.00 C ATOM 61 NE1 TRP A 28 -7.002 5.095 3.969 1.00 0.00 N ATOM 62 CE2 TRP A 28 -6.236 4.686 2.910 1.00 0.00 C ATOM 63 CE3 TRP A 28 -4.152 3.522 2.545 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -6.445 4.832 1.541 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.362 3.667 1.187 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.498 4.319 0.697 1.00 0.00 C ATOM 0 H TRP A 28 -6.345 2.852 7.037 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.656 3.397 7.904 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.227 3.875 5.585 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.188 2.414 5.707 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.769 4.912 6.127 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.888 5.596 3.901 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.270 3.020 2.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.323 5.332 1.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.637 3.270 0.492 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.631 4.420 -0.370 1.00 0.00 H new ATOM 77 N TYR A 29 -5.529 5.702 8.379 1.00 0.00 N ATOM 78 CA TYR A 29 -5.725 7.091 8.737 1.00 0.00 C ATOM 79 C TYR A 29 -5.487 7.265 10.235 1.00 0.00 C ATOM 80 O TYR A 29 -5.708 8.338 10.797 1.00 0.00 O ATOM 81 CB TYR A 29 -7.147 7.519 8.368 1.00 0.00 C ATOM 82 CG TYR A 29 -7.270 8.970 7.953 1.00 0.00 C ATOM 83 CD1 TYR A 29 -6.993 9.355 6.647 1.00 0.00 C ATOM 84 CD2 TYR A 29 -7.669 9.950 8.855 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.103 10.673 6.253 1.00 0.00 C ATOM 86 CE2 TYR A 29 -7.784 11.273 8.466 1.00 0.00 C ATOM 87 CZ TYR A 29 -7.501 11.629 7.164 1.00 0.00 C ATOM 88 OH TYR A 29 -7.613 12.944 6.769 1.00 0.00 O ATOM 0 H TYR A 29 -6.202 5.065 8.805 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.019 7.717 8.192 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.505 6.888 7.554 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.801 7.340 9.221 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.686 8.610 5.928 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.893 9.674 9.875 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.878 10.955 5.235 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.094 12.023 9.179 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.905 13.490 7.529 1.00 0.00 H new ATOM 98 N ASP A 30 -5.054 6.187 10.881 1.00 0.00 N ATOM 99 CA ASP A 30 -4.748 6.217 12.305 1.00 0.00 C ATOM 100 C ASP A 30 -3.286 6.574 12.522 1.00 0.00 C ATOM 101 O ASP A 30 -2.402 6.061 11.836 1.00 0.00 O ATOM 102 CB ASP A 30 -5.050 4.866 12.965 1.00 0.00 C ATOM 103 CG ASP A 30 -6.527 4.653 13.222 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.175 5.576 13.757 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.043 3.554 12.920 1.00 0.00 O ATOM 0 H ASP A 30 -4.907 5.280 10.438 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.380 6.976 12.766 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.678 4.064 12.327 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.509 4.799 13.909 1.00 0.00 H new ATOM 110 N PRO A 31 -3.021 7.457 13.497 1.00 0.00 N ATOM 111 CA PRO A 31 -1.666 7.932 13.810 1.00 0.00 C ATOM 112 C PRO A 31 -0.742 6.813 14.282 1.00 0.00 C ATOM 113 O PRO A 31 0.479 6.973 14.317 1.00 0.00 O ATOM 114 CB PRO A 31 -1.887 8.937 14.948 1.00 0.00 C ATOM 115 CG PRO A 31 -3.330 9.294 14.883 1.00 0.00 C ATOM 116 CD PRO A 31 -4.031 8.075 14.368 1.00 0.00 C ATOM 0 HA PRO A 31 -1.182 8.354 12.929 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.633 8.500 15.914 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.258 9.818 14.822 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.707 9.576 15.866 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.492 10.146 14.223 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.329 7.408 15.177 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.936 8.332 13.818 1.00 0.00 H new ATOM 124 N ASP A 32 -1.333 5.689 14.661 1.00 0.00 N ATOM 125 CA ASP A 32 -0.568 4.551 15.158 1.00 0.00 C ATOM 126 C ASP A 32 -0.381 3.486 14.085 1.00 0.00 C ATOM 127 O ASP A 32 0.274 2.471 14.326 1.00 0.00 O ATOM 128 CB ASP A 32 -1.251 3.925 16.375 1.00 0.00 C ATOM 129 CG ASP A 32 -1.216 4.825 17.588 1.00 0.00 C ATOM 130 OD1 ASP A 32 -0.204 4.799 18.318 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.206 5.548 17.823 1.00 0.00 O ATOM 0 H ASP A 32 -2.342 5.539 14.634 1.00 0.00 H new ATOM 0 HA ASP A 32 0.412 4.930 15.446 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.287 3.696 16.127 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.764 2.980 16.614 1.00 0.00 H new ATOM 136 N PHE A 33 -0.951 3.704 12.906 1.00 0.00 N ATOM 137 CA PHE A 33 -0.856 2.719 11.836 1.00 0.00 C ATOM 138 C PHE A 33 0.576 2.656 11.312 1.00 0.00 C ATOM 139 O PHE A 33 1.205 3.688 11.070 1.00 0.00 O ATOM 140 CB PHE A 33 -1.836 3.051 10.705 1.00 0.00 C ATOM 141 CG PHE A 33 -1.891 2.005 9.626 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.489 0.776 9.863 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.349 2.250 8.374 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.541 -0.188 8.876 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.400 1.288 7.383 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.999 0.069 7.634 1.00 0.00 C ATOM 0 H PHE A 33 -1.478 4.544 12.668 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.125 1.741 12.235 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.833 3.179 11.126 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.554 4.005 10.260 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.919 0.571 10.832 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.882 3.202 8.171 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.006 -1.142 9.076 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.971 1.489 6.412 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.043 -0.682 6.859 1.00 0.00 H new ATOM 156 N GLN A 34 1.097 1.445 11.167 1.00 0.00 N ATOM 157 CA GLN A 34 2.469 1.256 10.729 1.00 0.00 C ATOM 158 C GLN A 34 2.529 0.871 9.262 1.00 0.00 C ATOM 159 O GLN A 34 1.957 -0.141 8.844 1.00 0.00 O ATOM 160 CB GLN A 34 3.158 0.188 11.574 1.00 0.00 C ATOM 161 CG GLN A 34 3.353 0.586 13.025 1.00 0.00 C ATOM 162 CD GLN A 34 4.106 -0.464 13.804 1.00 0.00 C ATOM 163 OE1 GLN A 34 3.510 -1.360 14.400 1.00 0.00 O ATOM 164 NE2 GLN A 34 5.421 -0.364 13.798 1.00 0.00 N ATOM 0 H GLN A 34 0.588 0.580 11.347 1.00 0.00 H new ATOM 0 HA GLN A 34 2.991 2.204 10.857 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.570 -0.729 11.534 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.130 -0.038 11.135 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.895 1.530 13.072 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.381 0.753 13.489 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.872 0.396 13.290 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.987 -1.047 14.302 1.00 0.00 H new ATOM 173 N ALA A 35 3.218 1.689 8.486 1.00 0.00 N ATOM 174 CA ALA A 35 3.407 1.432 7.073 1.00 0.00 C ATOM 175 C ALA A 35 4.779 1.911 6.639 1.00 0.00 C ATOM 176 O ALA A 35 5.332 2.841 7.223 1.00 0.00 O ATOM 177 CB ALA A 35 2.319 2.110 6.254 1.00 0.00 C ATOM 0 H ALA A 35 3.660 2.546 8.818 1.00 0.00 H new ATOM 0 HA ALA A 35 3.340 0.358 6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.479 1.905 5.196 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.344 1.726 6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.353 3.186 6.424 1.00 0.00 H new ATOM 183 N ARG A 36 5.325 1.271 5.624 1.00 0.00 N ATOM 184 CA ARG A 36 6.644 1.607 5.126 1.00 0.00 C ATOM 185 C ARG A 36 6.672 1.456 3.615 1.00 0.00 C ATOM 186 O ARG A 36 5.850 0.742 3.038 1.00 0.00 O ATOM 187 CB ARG A 36 7.702 0.703 5.775 1.00 0.00 C ATOM 188 CG ARG A 36 7.543 -0.764 5.419 1.00 0.00 C ATOM 189 CD ARG A 36 8.575 -1.215 4.398 1.00 0.00 C ATOM 190 NE ARG A 36 9.891 -1.379 5.002 1.00 0.00 N ATOM 191 CZ ARG A 36 10.896 -2.024 4.425 1.00 0.00 C ATOM 192 NH1 ARG A 36 10.781 -2.482 3.184 1.00 0.00 N ATOM 193 NH2 ARG A 36 12.033 -2.192 5.078 1.00 0.00 N ATOM 0 H ARG A 36 4.870 0.508 5.124 1.00 0.00 H new ATOM 0 HA ARG A 36 6.872 2.641 5.383 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.693 1.038 5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.649 0.814 6.858 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.637 -1.369 6.321 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.542 -0.935 5.023 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.259 -2.158 3.952 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.633 -0.484 3.591 1.00 0.00 H new ATOM 0 HE ARG A 36 10.049 -0.973 5.924 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.914 -2.339 2.666 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.560 -2.977 2.749 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.137 -1.826 6.024 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.807 -2.688 4.636 1.00 0.00 H new ATOM 206 N LEU A 37 7.607 2.133 2.981 1.00 0.00 N ATOM 207 CA LEU A 37 7.757 2.046 1.545 1.00 0.00 C ATOM 208 C LEU A 37 9.004 1.253 1.189 1.00 0.00 C ATOM 209 O LEU A 37 10.109 1.606 1.605 1.00 0.00 O ATOM 210 CB LEU A 37 7.826 3.446 0.936 1.00 0.00 C ATOM 211 CG LEU A 37 6.574 4.302 1.134 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.814 5.715 0.634 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.386 3.685 0.410 1.00 0.00 C ATOM 0 H LEU A 37 8.276 2.751 3.440 1.00 0.00 H new ATOM 0 HA LEU A 37 6.890 1.529 1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.678 3.971 1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.017 3.351 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 37 6.350 4.341 2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.914 6.311 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.640 6.161 1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.061 5.688 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.504 4.307 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.604 3.618 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.198 2.687 0.805 1.00 0.00 H new ATOM 225 N THR A 38 8.805 0.159 0.464 1.00 0.00 N ATOM 226 CA THR A 38 9.904 -0.615 -0.086 1.00 0.00 C ATOM 227 C THR A 38 10.795 0.311 -0.904 1.00 0.00 C ATOM 228 O THR A 38 10.356 0.841 -1.923 1.00 0.00 O ATOM 229 CB THR A 38 9.365 -1.738 -0.986 1.00 0.00 C ATOM 230 OG1 THR A 38 8.228 -2.349 -0.365 1.00 0.00 O ATOM 231 CG2 THR A 38 10.423 -2.795 -1.253 1.00 0.00 C ATOM 0 H THR A 38 7.881 -0.213 0.243 1.00 0.00 H new ATOM 0 HA THR A 38 10.475 -1.063 0.727 1.00 0.00 H new ATOM 0 HB THR A 38 9.078 -1.295 -1.940 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.402 -2.467 0.592 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.007 -3.573 -1.893 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.278 -2.336 -1.749 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.744 -3.235 -0.309 1.00 0.00 H new ATOM 239 N ARG A 39 12.035 0.487 -0.448 1.00 0.00 N ATOM 240 CA ARG A 39 12.921 1.545 -0.944 1.00 0.00 C ATOM 241 C ARG A 39 12.945 1.620 -2.467 1.00 0.00 C ATOM 242 O ARG A 39 12.359 2.535 -3.046 1.00 0.00 O ATOM 243 CB ARG A 39 14.355 1.374 -0.414 1.00 0.00 C ATOM 244 CG ARG A 39 14.511 1.596 1.090 1.00 0.00 C ATOM 245 CD ARG A 39 13.918 0.457 1.902 1.00 0.00 C ATOM 246 NE ARG A 39 14.604 -0.805 1.642 1.00 0.00 N ATOM 247 CZ ARG A 39 13.980 -1.931 1.316 1.00 0.00 C ATOM 248 NH1 ARG A 39 12.664 -1.941 1.170 1.00 0.00 N ATOM 249 NH2 ARG A 39 14.666 -3.041 1.105 1.00 0.00 N ATOM 0 H ARG A 39 12.455 -0.098 0.275 1.00 0.00 H new ATOM 0 HA ARG A 39 12.510 2.481 -0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 39 14.700 0.369 -0.657 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.008 2.071 -0.940 1.00 0.00 H new ATOM 0 HG2 ARG A 39 15.569 1.701 1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.026 2.531 1.370 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.983 0.695 2.964 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.860 0.352 1.663 1.00 0.00 H new ATOM 0 HE ARG A 39 15.621 -0.823 1.715 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.129 -1.084 1.308 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.185 -2.806 0.920 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.682 -3.037 1.192 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.179 -3.902 0.855 1.00 0.00 H new ATOM 262 N SER A 40 13.614 0.662 -3.105 1.00 0.00 N ATOM 263 CA SER A 40 13.780 0.653 -4.561 1.00 0.00 C ATOM 264 C SER A 40 14.635 1.844 -5.011 1.00 0.00 C ATOM 265 O SER A 40 15.775 1.678 -5.449 1.00 0.00 O ATOM 266 CB SER A 40 12.409 0.672 -5.262 1.00 0.00 C ATOM 267 OG SER A 40 12.525 0.374 -6.646 1.00 0.00 O ATOM 0 H SER A 40 14.055 -0.127 -2.632 1.00 0.00 H new ATOM 0 HA SER A 40 14.295 -0.265 -4.844 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.747 -0.052 -4.788 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.950 1.653 -5.138 1.00 0.00 H new ATOM 0 HG SER A 40 11.669 0.547 -7.091 1.00 0.00 H new ATOM 273 N ASN A 41 14.091 3.045 -4.870 1.00 0.00 N ATOM 274 CA ASN A 41 14.785 4.260 -5.271 1.00 0.00 C ATOM 275 C ASN A 41 14.968 5.199 -4.080 1.00 0.00 C ATOM 276 O ASN A 41 15.990 5.871 -3.960 1.00 0.00 O ATOM 277 CB ASN A 41 14.008 4.970 -6.385 1.00 0.00 C ATOM 278 CG ASN A 41 14.687 6.244 -6.862 1.00 0.00 C ATOM 279 OD1 ASN A 41 15.914 6.357 -6.847 1.00 0.00 O ATOM 280 ND2 ASN A 41 13.894 7.210 -7.297 1.00 0.00 N ATOM 0 H ASN A 41 13.163 3.204 -4.477 1.00 0.00 H new ATOM 0 HA ASN A 41 15.770 3.983 -5.645 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.890 4.290 -7.229 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.007 5.210 -6.026 1.00 0.00 H new ATOM 0 HD21 ASN A 41 14.294 8.085 -7.635 1.00 0.00 H new ATOM 0 HD22 ASN A 41 12.882 7.080 -7.294 1.00 0.00 H new ATOM 287 N SER A 42 13.983 5.232 -3.192 1.00 0.00 N ATOM 288 CA SER A 42 14.004 6.153 -2.067 1.00 0.00 C ATOM 289 C SER A 42 13.228 5.577 -0.886 1.00 0.00 C ATOM 290 O SER A 42 12.418 4.671 -1.044 1.00 0.00 O ATOM 291 CB SER A 42 13.391 7.493 -2.489 1.00 0.00 C ATOM 292 OG SER A 42 13.354 8.412 -1.407 1.00 0.00 O ATOM 0 H SER A 42 13.160 4.631 -3.230 1.00 0.00 H new ATOM 0 HA SER A 42 15.038 6.306 -1.759 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.971 7.917 -3.309 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.381 7.330 -2.864 1.00 0.00 H new ATOM 0 HG SER A 42 13.621 9.300 -1.723 1.00 0.00 H new ATOM 298 N LYS A 43 13.484 6.118 0.298 1.00 0.00 N ATOM 299 CA LYS A 43 12.770 5.706 1.499 1.00 0.00 C ATOM 300 C LYS A 43 11.501 6.535 1.653 1.00 0.00 C ATOM 301 O LYS A 43 10.788 6.432 2.650 1.00 0.00 O ATOM 302 CB LYS A 43 13.664 5.866 2.733 1.00 0.00 C ATOM 303 CG LYS A 43 14.952 5.058 2.660 1.00 0.00 C ATOM 304 CD LYS A 43 15.845 5.325 3.858 1.00 0.00 C ATOM 305 CE LYS A 43 17.165 4.578 3.744 1.00 0.00 C ATOM 306 NZ LYS A 43 17.914 4.963 2.518 1.00 0.00 N ATOM 0 H LYS A 43 14.183 6.845 0.452 1.00 0.00 H new ATOM 0 HA LYS A 43 12.498 4.654 1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.912 6.920 2.857 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.105 5.564 3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.714 3.995 2.612 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.487 5.306 1.743 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.037 6.395 3.940 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.332 5.023 4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 43 17.776 4.784 4.623 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.975 3.505 3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 18.911 4.684 2.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.501 4.482 1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.854 5.993 2.384 1.00 0.00 H new ATOM 319 N CYS A 44 11.240 7.364 0.651 1.00 0.00 N ATOM 320 CA CYS A 44 10.056 8.208 0.627 1.00 0.00 C ATOM 321 C CYS A 44 9.197 7.873 -0.597 1.00 0.00 C ATOM 322 O CYS A 44 8.118 8.437 -0.795 1.00 0.00 O ATOM 323 CB CYS A 44 10.483 9.682 0.609 1.00 0.00 C ATOM 324 SG CYS A 44 9.109 10.881 0.657 1.00 0.00 S ATOM 0 H CYS A 44 11.842 7.469 -0.165 1.00 0.00 H new ATOM 0 HA CYS A 44 9.458 8.026 1.520 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.136 9.866 1.462 1.00 0.00 H new ATOM 0 HB3 CYS A 44 11.073 9.863 -0.290 1.00 0.00 H new ATOM 329 N GLN A 45 9.681 6.934 -1.416 1.00 0.00 N ATOM 330 CA GLN A 45 8.980 6.528 -2.638 1.00 0.00 C ATOM 331 C GLN A 45 9.261 5.056 -2.926 1.00 0.00 C ATOM 332 O GLN A 45 10.414 4.681 -3.138 1.00 0.00 O ATOM 333 CB GLN A 45 9.452 7.349 -3.846 1.00 0.00 C ATOM 334 CG GLN A 45 9.496 8.852 -3.625 1.00 0.00 C ATOM 335 CD GLN A 45 10.064 9.589 -4.820 1.00 0.00 C ATOM 336 OE1 GLN A 45 10.897 9.056 -5.555 1.00 0.00 O ATOM 337 NE2 GLN A 45 9.622 10.818 -5.021 1.00 0.00 N ATOM 0 H GLN A 45 10.558 6.439 -1.254 1.00 0.00 H new ATOM 0 HA GLN A 45 7.914 6.696 -2.482 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.448 7.010 -4.130 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.792 7.140 -4.688 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.490 9.217 -3.420 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.100 9.071 -2.745 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.932 11.222 -4.388 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.971 11.363 -5.809 1.00 0.00 H new ATOM 346 N GLY A 46 8.222 4.230 -2.960 1.00 0.00 N ATOM 347 CA GLY A 46 8.422 2.813 -3.214 1.00 0.00 C ATOM 348 C GLY A 46 7.141 2.009 -3.100 1.00 0.00 C ATOM 349 O GLY A 46 6.055 2.529 -3.353 1.00 0.00 O ATOM 0 H GLY A 46 7.252 4.511 -2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.840 2.683 -4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.155 2.422 -2.508 1.00 0.00 H new ATOM 353 N GLN A 47 7.269 0.741 -2.726 1.00 0.00 N ATOM 354 CA GLN A 47 6.114 -0.143 -2.615 1.00 0.00 C ATOM 355 C GLN A 47 5.487 -0.016 -1.232 1.00 0.00 C ATOM 356 O GLN A 47 6.186 0.216 -0.250 1.00 0.00 O ATOM 357 CB GLN A 47 6.523 -1.599 -2.857 1.00 0.00 C ATOM 358 CG GLN A 47 7.352 -1.812 -4.114 1.00 0.00 C ATOM 359 CD GLN A 47 7.687 -3.274 -4.346 1.00 0.00 C ATOM 360 OE1 GLN A 47 6.914 -4.162 -4.001 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.850 -3.534 -4.923 1.00 0.00 N ATOM 0 H GLN A 47 8.160 0.302 -2.495 1.00 0.00 H new ATOM 0 HA GLN A 47 5.387 0.151 -3.372 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.091 -1.953 -1.996 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.624 -2.212 -2.920 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.807 -1.426 -4.975 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.276 -1.238 -4.038 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.466 -2.768 -5.196 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.130 -4.500 -5.095 1.00 0.00 H new ATOM 370 N LEU A 48 4.177 -0.174 -1.149 1.00 0.00 N ATOM 371 CA LEU A 48 3.485 -0.024 0.121 1.00 0.00 C ATOM 372 C LEU A 48 3.490 -1.331 0.907 1.00 0.00 C ATOM 373 O LEU A 48 2.819 -2.296 0.538 1.00 0.00 O ATOM 374 CB LEU A 48 2.045 0.452 -0.092 1.00 0.00 C ATOM 375 CG LEU A 48 1.274 0.785 1.191 1.00 0.00 C ATOM 376 CD1 LEU A 48 1.932 1.938 1.937 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.174 1.119 0.871 1.00 0.00 C ATOM 0 H LEU A 48 3.574 -0.404 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 48 4.020 0.730 0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.062 1.337 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.500 -0.320 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 48 1.294 -0.094 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.366 2.155 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.953 1.664 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.948 2.822 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.706 1.353 1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.210 1.980 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.646 0.264 0.387 1.00 0.00 H new ATOM 389 N GLU A 49 4.261 -1.356 1.981 1.00 0.00 N ATOM 390 CA GLU A 49 4.258 -2.480 2.899 1.00 0.00 C ATOM 391 C GLU A 49 3.675 -2.039 4.235 1.00 0.00 C ATOM 392 O GLU A 49 4.028 -0.980 4.754 1.00 0.00 O ATOM 393 CB GLU A 49 5.669 -3.038 3.102 1.00 0.00 C ATOM 394 CG GLU A 49 6.264 -3.695 1.866 1.00 0.00 C ATOM 395 CD GLU A 49 7.636 -4.278 2.125 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.637 -3.545 1.989 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.723 -5.476 2.463 1.00 0.00 O ATOM 0 H GLU A 49 4.901 -0.605 2.239 1.00 0.00 H new ATOM 0 HA GLU A 49 3.645 -3.273 2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.325 -2.228 3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.646 -3.767 3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.596 -4.484 1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.330 -2.960 1.064 1.00 0.00 H new ATOM 404 N VAL A 50 2.776 -2.836 4.780 1.00 0.00 N ATOM 405 CA VAL A 50 2.119 -2.491 6.031 1.00 0.00 C ATOM 406 C VAL A 50 2.436 -3.522 7.107 1.00 0.00 C ATOM 407 O VAL A 50 2.714 -4.684 6.801 1.00 0.00 O ATOM 408 CB VAL A 50 0.586 -2.375 5.862 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.235 -1.238 4.913 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.010 -3.687 5.370 1.00 0.00 C ATOM 0 H VAL A 50 2.483 -3.727 4.378 1.00 0.00 H new ATOM 0 HA VAL A 50 2.503 -1.518 6.336 1.00 0.00 H new ATOM 0 HB VAL A 50 0.155 -2.154 6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.848 -1.173 4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.618 -0.299 5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.684 -1.426 3.938 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.089 -3.578 5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.429 -3.947 4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.203 -4.476 6.091 1.00 0.00 H new ATOM 420 N TYR A 51 2.412 -3.090 8.361 1.00 0.00 N ATOM 421 CA TYR A 51 2.684 -3.985 9.474 1.00 0.00 C ATOM 422 C TYR A 51 1.388 -4.370 10.165 1.00 0.00 C ATOM 423 O TYR A 51 0.810 -3.579 10.914 1.00 0.00 O ATOM 424 CB TYR A 51 3.633 -3.335 10.485 1.00 0.00 C ATOM 425 CG TYR A 51 4.093 -4.280 11.582 1.00 0.00 C ATOM 426 CD1 TYR A 51 5.138 -5.171 11.367 1.00 0.00 C ATOM 427 CD2 TYR A 51 3.477 -4.285 12.828 1.00 0.00 C ATOM 428 CE1 TYR A 51 5.559 -6.033 12.363 1.00 0.00 C ATOM 429 CE2 TYR A 51 3.894 -5.144 13.828 1.00 0.00 C ATOM 430 CZ TYR A 51 4.934 -6.018 13.590 1.00 0.00 C ATOM 431 OH TYR A 51 5.357 -6.873 14.588 1.00 0.00 O ATOM 0 H TYR A 51 2.207 -2.128 8.631 1.00 0.00 H new ATOM 0 HA TYR A 51 3.163 -4.880 9.076 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.506 -2.952 9.957 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.135 -2.479 10.940 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.630 -5.190 10.406 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.659 -3.606 13.018 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.375 -6.716 12.179 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.407 -5.131 14.792 1.00 0.00 H new ATOM 0 HH TYR A 51 4.812 -6.734 15.390 1.00 0.00 H new ATOM 441 N LEU A 52 0.924 -5.573 9.896 1.00 0.00 N ATOM 442 CA LEU A 52 -0.244 -6.100 10.573 1.00 0.00 C ATOM 443 C LEU A 52 0.208 -7.123 11.609 1.00 0.00 C ATOM 444 O LEU A 52 1.404 -7.228 11.884 1.00 0.00 O ATOM 445 CB LEU A 52 -1.215 -6.720 9.562 1.00 0.00 C ATOM 446 CG LEU A 52 -1.646 -5.798 8.415 1.00 0.00 C ATOM 447 CD1 LEU A 52 -2.652 -6.496 7.521 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.232 -4.499 8.944 1.00 0.00 C ATOM 0 H LEU A 52 1.339 -6.206 9.212 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.775 -5.294 11.079 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.751 -7.609 9.136 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.107 -7.050 10.095 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.758 -5.559 7.830 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.946 -5.827 6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.203 -7.396 7.101 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.531 -6.768 8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.528 -3.866 8.107 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.104 -4.718 9.560 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.484 -3.980 9.544 1.00 0.00 H new ATOM 460 N LYS A 53 -0.715 -7.877 12.187 1.00 0.00 N ATOM 461 CA LYS A 53 -0.337 -8.865 13.194 1.00 0.00 C ATOM 462 C LYS A 53 0.441 -10.010 12.553 1.00 0.00 C ATOM 463 O LYS A 53 1.216 -10.701 13.211 1.00 0.00 O ATOM 464 CB LYS A 53 -1.566 -9.386 13.947 1.00 0.00 C ATOM 465 CG LYS A 53 -2.237 -8.326 14.811 1.00 0.00 C ATOM 466 CD LYS A 53 -1.222 -7.609 15.693 1.00 0.00 C ATOM 467 CE LYS A 53 -1.873 -6.560 16.581 1.00 0.00 C ATOM 468 NZ LYS A 53 -2.771 -7.172 17.592 1.00 0.00 N ATOM 0 H LYS A 53 -1.713 -7.829 11.984 1.00 0.00 H new ATOM 0 HA LYS A 53 0.311 -8.378 13.922 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.289 -9.769 13.227 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.269 -10.224 14.577 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.744 -7.602 14.174 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.000 -8.791 15.435 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.704 -8.339 16.315 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.469 -7.134 15.065 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.100 -5.981 17.085 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.441 -5.864 15.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.062 -6.449 18.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.613 -7.559 17.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.268 -7.938 18.085 1.00 0.00 H new ATOM 481 N ASP A 54 0.247 -10.176 11.254 1.00 0.00 N ATOM 482 CA ASP A 54 0.959 -11.189 10.484 1.00 0.00 C ATOM 483 C ASP A 54 2.338 -10.694 10.035 1.00 0.00 C ATOM 484 O ASP A 54 3.075 -11.421 9.365 1.00 0.00 O ATOM 485 CB ASP A 54 0.124 -11.610 9.270 1.00 0.00 C ATOM 486 CG ASP A 54 -0.400 -10.423 8.488 1.00 0.00 C ATOM 487 OD1 ASP A 54 0.319 -9.920 7.603 1.00 0.00 O ATOM 488 OD2 ASP A 54 -1.541 -9.991 8.758 1.00 0.00 O ATOM 0 H ASP A 54 -0.405 -9.616 10.704 1.00 0.00 H new ATOM 0 HA ASP A 54 1.114 -12.052 11.131 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.731 -12.234 8.614 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.715 -12.220 9.604 1.00 0.00 H new ATOM 493 N GLY A 55 2.686 -9.464 10.403 1.00 0.00 N ATOM 494 CA GLY A 55 4.006 -8.942 10.098 1.00 0.00 C ATOM 495 C GLY A 55 3.989 -7.930 8.970 1.00 0.00 C ATOM 496 O GLY A 55 2.937 -7.372 8.647 1.00 0.00 O ATOM 0 H GLY A 55 2.077 -8.820 10.907 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.424 -8.477 10.991 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.666 -9.767 9.830 1.00 0.00 H new ATOM 500 N TRP A 56 5.155 -7.686 8.378 1.00 0.00 N ATOM 501 CA TRP A 56 5.262 -6.786 7.237 1.00 0.00 C ATOM 502 C TRP A 56 4.857 -7.509 5.964 1.00 0.00 C ATOM 503 O TRP A 56 5.393 -8.575 5.651 1.00 0.00 O ATOM 504 CB TRP A 56 6.690 -6.253 7.073 1.00 0.00 C ATOM 505 CG TRP A 56 7.123 -5.301 8.146 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.986 -5.560 9.170 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.724 -3.934 8.293 1.00 0.00 C ATOM 508 NE1 TRP A 56 8.149 -4.439 9.943 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.384 -3.427 9.427 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.875 -3.087 7.575 1.00 0.00 C ATOM 511 CZ2 TRP A 56 7.218 -2.114 9.860 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.711 -1.785 8.009 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.382 -1.310 9.140 1.00 0.00 C ATOM 0 H TRP A 56 6.040 -8.101 8.671 1.00 0.00 H new ATOM 0 HA TRP A 56 4.594 -5.944 7.420 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.380 -7.097 7.053 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.770 -5.754 6.107 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.470 -6.509 9.346 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.744 -4.370 10.769 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.357 -3.443 6.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.733 -1.745 10.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.053 -1.123 7.465 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.236 -0.286 9.450 1.00 0.00 H new ATOM 524 N HIS A 57 3.912 -6.936 5.239 1.00 0.00 N ATOM 525 CA HIS A 57 3.455 -7.522 3.991 1.00 0.00 C ATOM 526 C HIS A 57 3.160 -6.447 2.955 1.00 0.00 C ATOM 527 O HIS A 57 2.717 -5.345 3.286 1.00 0.00 O ATOM 528 CB HIS A 57 2.219 -8.396 4.221 1.00 0.00 C ATOM 529 CG HIS A 57 2.554 -9.798 4.637 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.081 -10.383 5.791 1.00 0.00 N ATOM 531 CD2 HIS A 57 3.317 -10.741 4.031 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.538 -11.616 5.880 1.00 0.00 C ATOM 533 NE2 HIS A 57 3.291 -11.861 4.822 1.00 0.00 N ATOM 0 H HIS A 57 3.446 -6.065 5.493 1.00 0.00 H new ATOM 0 HA HIS A 57 4.257 -8.152 3.607 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.595 -7.936 4.987 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.629 -8.427 3.305 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.471 -9.931 6.472 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.848 -10.630 3.097 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.332 -12.309 6.682 1.00 0.00 H new ATOM 541 N MET A 58 3.428 -6.783 1.703 1.00 0.00 N ATOM 542 CA MET A 58 3.210 -5.882 0.579 1.00 0.00 C ATOM 543 C MET A 58 1.726 -5.804 0.251 1.00 0.00 C ATOM 544 O MET A 58 1.029 -6.813 0.302 1.00 0.00 O ATOM 545 CB MET A 58 3.973 -6.402 -0.641 1.00 0.00 C ATOM 546 CG MET A 58 5.455 -6.626 -0.386 1.00 0.00 C ATOM 547 SD MET A 58 6.201 -7.749 -1.585 1.00 0.00 S ATOM 548 CE MET A 58 5.797 -6.924 -3.124 1.00 0.00 C ATOM 0 H MET A 58 3.805 -7.692 1.435 1.00 0.00 H new ATOM 0 HA MET A 58 3.568 -4.887 0.844 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.524 -7.340 -0.967 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.858 -5.692 -1.460 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.975 -5.668 -0.418 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.591 -7.029 0.618 1.00 0.00 H new ATOM 0 HE1 MET A 58 5.001 -7.469 -3.631 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.464 -5.907 -2.915 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.680 -6.893 -3.763 1.00 0.00 H new ATOM 558 N VAL A 59 1.242 -4.619 -0.086 1.00 0.00 N ATOM 559 CA VAL A 59 -0.165 -4.451 -0.425 1.00 0.00 C ATOM 560 C VAL A 59 -0.392 -4.701 -1.916 1.00 0.00 C ATOM 561 O VAL A 59 0.291 -4.128 -2.765 1.00 0.00 O ATOM 562 CB VAL A 59 -0.685 -3.041 -0.051 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.164 -2.896 -0.395 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.456 -2.757 1.426 1.00 0.00 C ATOM 0 H VAL A 59 1.797 -3.764 -0.132 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.724 -5.184 0.157 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.124 -2.312 -0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.505 -1.897 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.305 -3.048 -1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.740 -3.639 0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.829 -1.761 1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.986 -3.498 2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.610 -2.808 1.645 1.00 0.00 H new ATOM 574 N CYS A 60 -1.335 -5.583 -2.220 1.00 0.00 N ATOM 575 CA CYS A 60 -1.704 -5.880 -3.597 1.00 0.00 C ATOM 576 C CYS A 60 -2.572 -4.754 -4.156 1.00 0.00 C ATOM 577 O CYS A 60 -3.505 -4.293 -3.490 1.00 0.00 O ATOM 578 CB CYS A 60 -2.453 -7.218 -3.656 1.00 0.00 C ATOM 579 SG CYS A 60 -2.945 -7.749 -5.327 1.00 0.00 S ATOM 0 H CYS A 60 -1.863 -6.110 -1.524 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.802 -5.958 -4.205 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.822 -7.990 -3.216 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.347 -7.145 -3.036 1.00 0.00 H new ATOM 584 N SER A 61 -2.267 -4.311 -5.374 1.00 0.00 N ATOM 585 CA SER A 61 -2.986 -3.204 -5.992 1.00 0.00 C ATOM 586 C SER A 61 -4.338 -3.659 -6.551 1.00 0.00 C ATOM 587 O SER A 61 -4.650 -3.433 -7.721 1.00 0.00 O ATOM 588 CB SER A 61 -2.133 -2.588 -7.104 1.00 0.00 C ATOM 589 OG SER A 61 -1.866 -3.539 -8.121 1.00 0.00 O ATOM 0 H SER A 61 -1.524 -4.704 -5.952 1.00 0.00 H new ATOM 0 HA SER A 61 -3.179 -2.453 -5.226 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.650 -1.728 -7.531 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.195 -2.221 -6.688 1.00 0.00 H new ATOM 0 HG SER A 61 -2.707 -3.810 -8.545 1.00 0.00 H new ATOM 595 N GLN A 62 -5.116 -4.325 -5.712 1.00 0.00 N ATOM 596 CA GLN A 62 -6.456 -4.767 -6.079 1.00 0.00 C ATOM 597 C GLN A 62 -7.324 -4.836 -4.819 1.00 0.00 C ATOM 598 O GLN A 62 -8.250 -5.639 -4.716 1.00 0.00 O ATOM 599 CB GLN A 62 -6.372 -6.135 -6.774 1.00 0.00 C ATOM 600 CG GLN A 62 -7.653 -6.583 -7.468 1.00 0.00 C ATOM 601 CD GLN A 62 -8.171 -5.571 -8.476 1.00 0.00 C ATOM 602 OE1 GLN A 62 -9.091 -4.725 -8.043 1.00 0.00 O flip ATOM 603 NE2 GLN A 62 -7.769 -5.568 -9.641 1.00 0.00 N flip ATOM 0 H GLN A 62 -4.840 -4.574 -4.762 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.911 -4.061 -6.774 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.569 -6.103 -7.511 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.096 -6.886 -6.034 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.472 -7.531 -7.974 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.422 -6.764 -6.717 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.058 -6.237 -9.937 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.147 -4.897 -10.309 1.00 0.00 H new ATOM 612 N SER A 63 -7.026 -3.960 -3.867 1.00 0.00 N ATOM 613 CA SER A 63 -7.655 -4.014 -2.559 1.00 0.00 C ATOM 614 C SER A 63 -8.859 -3.079 -2.483 1.00 0.00 C ATOM 615 O SER A 63 -8.847 -1.988 -3.063 1.00 0.00 O ATOM 616 CB SER A 63 -6.631 -3.652 -1.478 1.00 0.00 C ATOM 617 OG SER A 63 -5.566 -4.591 -1.450 1.00 0.00 O ATOM 0 H SER A 63 -6.351 -3.204 -3.980 1.00 0.00 H new ATOM 0 HA SER A 63 -8.013 -5.030 -2.392 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.236 -2.654 -1.667 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.120 -3.622 -0.504 1.00 0.00 H new ATOM 0 HG SER A 63 -4.930 -4.386 -2.167 1.00 0.00 H new ATOM 623 N TRP A 64 -9.882 -3.529 -1.755 1.00 0.00 N ATOM 624 CA TRP A 64 -11.124 -2.781 -1.538 1.00 0.00 C ATOM 625 C TRP A 64 -11.817 -2.443 -2.854 1.00 0.00 C ATOM 626 O TRP A 64 -12.646 -3.204 -3.349 1.00 0.00 O ATOM 627 CB TRP A 64 -10.868 -1.493 -0.748 1.00 0.00 C ATOM 628 CG TRP A 64 -10.039 -1.689 0.487 1.00 0.00 C ATOM 629 CD1 TRP A 64 -10.382 -2.376 1.615 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.726 -1.171 0.716 1.00 0.00 C ATOM 631 NE1 TRP A 64 -9.360 -2.315 2.531 1.00 0.00 N ATOM 632 CE2 TRP A 64 -8.332 -1.582 2.001 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.843 -0.400 -0.044 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -7.094 -1.245 2.540 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -6.619 -0.067 0.494 1.00 0.00 C ATOM 636 CH2 TRP A 64 -6.256 -0.491 1.774 1.00 0.00 C ATOM 0 H TRP A 64 -9.872 -4.438 -1.292 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.781 -3.428 -0.957 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -10.369 -0.774 -1.398 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.826 -1.056 -0.465 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.319 -2.892 1.765 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -9.366 -2.746 3.456 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.115 -0.071 -1.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.808 -1.569 3.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.930 0.531 -0.083 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.288 -0.215 2.166 1.00 0.00 H new ATOM 647 N GLY A 65 -11.464 -1.299 -3.414 1.00 0.00 N ATOM 648 CA GLY A 65 -12.044 -0.870 -4.666 1.00 0.00 C ATOM 649 C GLY A 65 -11.015 -0.253 -5.589 1.00 0.00 C ATOM 650 O GLY A 65 -11.347 0.583 -6.427 1.00 0.00 O ATOM 0 H GLY A 65 -10.779 -0.654 -3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.509 -1.723 -5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.835 -0.146 -4.469 1.00 0.00 H new ATOM 654 N ARG A 66 -9.761 -0.652 -5.431 1.00 0.00 N ATOM 655 CA ARG A 66 -8.698 -0.143 -6.280 1.00 0.00 C ATOM 656 C ARG A 66 -8.355 -1.160 -7.354 1.00 0.00 C ATOM 657 O ARG A 66 -7.915 -2.266 -7.054 1.00 0.00 O ATOM 658 CB ARG A 66 -7.450 0.196 -5.460 1.00 0.00 C ATOM 659 CG ARG A 66 -7.636 1.349 -4.483 1.00 0.00 C ATOM 660 CD ARG A 66 -8.040 2.633 -5.193 1.00 0.00 C ATOM 661 NE ARG A 66 -7.892 3.808 -4.334 1.00 0.00 N ATOM 662 CZ ARG A 66 -8.772 4.806 -4.287 1.00 0.00 C ATOM 663 NH1 ARG A 66 -9.898 4.728 -4.979 1.00 0.00 N ATOM 664 NH2 ARG A 66 -8.544 5.868 -3.533 1.00 0.00 N ATOM 0 H ARG A 66 -9.457 -1.323 -4.726 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.052 0.773 -6.753 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.143 -0.690 -4.904 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.637 0.441 -6.143 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.398 1.084 -3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.709 1.514 -3.934 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.430 2.759 -6.087 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.076 2.554 -5.523 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.067 3.866 -3.737 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.091 3.904 -5.548 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.573 5.492 -4.943 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.688 5.927 -2.981 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.224 6.628 -3.503 1.00 0.00 H new ATOM 677 N SER A 67 -8.578 -0.778 -8.597 1.00 0.00 N ATOM 678 CA SER A 67 -8.313 -1.643 -9.733 1.00 0.00 C ATOM 679 C SER A 67 -6.815 -1.723 -10.020 1.00 0.00 C ATOM 680 O SER A 67 -6.016 -1.000 -9.417 1.00 0.00 O ATOM 681 CB SER A 67 -9.045 -1.093 -10.954 1.00 0.00 C ATOM 682 OG SER A 67 -10.385 -0.760 -10.633 1.00 0.00 O ATOM 0 H SER A 67 -8.947 0.139 -8.849 1.00 0.00 H new ATOM 0 HA SER A 67 -8.667 -2.648 -9.504 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.526 -0.210 -11.327 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.032 -1.833 -11.755 1.00 0.00 H new ATOM 0 HG SER A 67 -10.834 -0.408 -11.430 1.00 0.00 H new ATOM 688 N SER A 68 -6.439 -2.593 -10.956 1.00 0.00 N ATOM 689 CA SER A 68 -5.049 -2.732 -11.370 1.00 0.00 C ATOM 690 C SER A 68 -4.663 -1.601 -12.327 1.00 0.00 C ATOM 691 O SER A 68 -4.034 -1.824 -13.364 1.00 0.00 O ATOM 692 CB SER A 68 -4.835 -4.090 -12.039 1.00 0.00 C ATOM 693 OG SER A 68 -5.234 -5.153 -11.186 1.00 0.00 O ATOM 0 H SER A 68 -7.084 -3.215 -11.443 1.00 0.00 H new ATOM 0 HA SER A 68 -4.412 -2.671 -10.488 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.403 -4.134 -12.968 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.784 -4.207 -12.302 1.00 0.00 H new ATOM 0 HG SER A 68 -5.088 -6.009 -11.640 1.00 0.00 H new ATOM 699 N LYS A 69 -5.061 -0.394 -11.959 1.00 0.00 N ATOM 700 CA LYS A 69 -4.796 0.811 -12.725 1.00 0.00 C ATOM 701 C LYS A 69 -4.520 1.940 -11.748 1.00 0.00 C ATOM 702 O LYS A 69 -4.998 1.901 -10.612 1.00 0.00 O ATOM 703 CB LYS A 69 -6.011 1.176 -13.588 1.00 0.00 C ATOM 704 CG LYS A 69 -6.371 0.143 -14.649 1.00 0.00 C ATOM 705 CD LYS A 69 -7.690 0.478 -15.329 1.00 0.00 C ATOM 706 CE LYS A 69 -7.649 1.840 -16.004 1.00 0.00 C ATOM 707 NZ LYS A 69 -8.966 2.205 -16.593 1.00 0.00 N ATOM 0 H LYS A 69 -5.588 -0.222 -11.103 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.941 0.647 -13.381 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.872 1.322 -12.936 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.817 2.129 -14.079 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.578 0.095 -15.395 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.437 -0.843 -14.190 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.922 -0.288 -16.070 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.493 0.462 -14.592 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.353 2.597 -15.277 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.890 1.835 -16.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.898 3.140 -17.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.236 1.496 -17.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.686 2.234 -15.843 1.00 0.00 H new ATOM 720 N GLN A 70 -3.746 2.932 -12.161 1.00 0.00 N ATOM 721 CA GLN A 70 -3.474 4.064 -11.290 1.00 0.00 C ATOM 722 C GLN A 70 -4.736 4.913 -11.134 1.00 0.00 C ATOM 723 O GLN A 70 -5.178 5.594 -12.067 1.00 0.00 O ATOM 724 CB GLN A 70 -2.273 4.897 -11.783 1.00 0.00 C ATOM 725 CG GLN A 70 -2.432 5.517 -13.164 1.00 0.00 C ATOM 726 CD GLN A 70 -1.275 6.433 -13.527 1.00 0.00 C ATOM 727 OE1 GLN A 70 -0.087 6.121 -13.031 1.00 0.00 O flip ATOM 728 NE2 GLN A 70 -1.450 7.412 -14.252 1.00 0.00 N flip ATOM 0 H GLN A 70 -3.302 2.977 -13.078 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.193 3.683 -10.308 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.086 5.695 -11.064 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.389 4.260 -11.789 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.511 4.724 -13.908 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -3.364 6.082 -13.200 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.381 7.619 -14.614 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.664 8.017 -14.491 1.00 0.00 H new ATOM 737 N TRP A 71 -5.332 4.825 -9.951 1.00 0.00 N ATOM 738 CA TRP A 71 -6.590 5.501 -9.669 1.00 0.00 C ATOM 739 C TRP A 71 -6.356 6.992 -9.476 1.00 0.00 C ATOM 740 O TRP A 71 -5.325 7.401 -8.938 1.00 0.00 O ATOM 741 CB TRP A 71 -7.247 4.908 -8.418 1.00 0.00 C ATOM 742 CG TRP A 71 -8.668 4.471 -8.626 1.00 0.00 C ATOM 743 CD1 TRP A 71 -9.092 3.249 -9.063 1.00 0.00 C ATOM 744 CD2 TRP A 71 -9.852 5.245 -8.397 1.00 0.00 C ATOM 745 NE1 TRP A 71 -10.464 3.217 -9.117 1.00 0.00 N ATOM 746 CE2 TRP A 71 -10.952 4.430 -8.716 1.00 0.00 C ATOM 747 CE3 TRP A 71 -10.087 6.548 -7.956 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -12.268 4.875 -8.601 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -11.392 6.988 -7.844 1.00 0.00 C ATOM 750 CH2 TRP A 71 -12.467 6.155 -8.165 1.00 0.00 C ATOM 0 H TRP A 71 -4.960 4.288 -9.167 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.258 5.355 -10.518 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.660 4.053 -8.082 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.218 5.649 -7.619 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -8.443 2.427 -9.328 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.027 2.418 -9.409 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.264 7.201 -7.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -13.100 4.232 -8.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.585 7.994 -7.502 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.475 6.530 -8.067 1.00 0.00 H new ATOM 761 N GLU A 72 -7.320 7.799 -9.901 1.00 0.00 N ATOM 762 CA GLU A 72 -7.203 9.251 -9.818 1.00 0.00 C ATOM 763 C GLU A 72 -7.593 9.742 -8.422 1.00 0.00 C ATOM 764 O GLU A 72 -8.281 10.754 -8.270 1.00 0.00 O ATOM 765 CB GLU A 72 -8.094 9.899 -10.882 1.00 0.00 C ATOM 766 CG GLU A 72 -7.676 11.303 -11.280 1.00 0.00 C ATOM 767 CD GLU A 72 -8.579 11.883 -12.350 1.00 0.00 C ATOM 768 OE1 GLU A 72 -8.920 11.151 -13.304 1.00 0.00 O ATOM 769 OE2 GLU A 72 -8.965 13.068 -12.240 1.00 0.00 O ATOM 0 H GLU A 72 -8.196 7.471 -10.309 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.166 9.535 -10.000 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.095 9.268 -11.771 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.118 9.929 -10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.693 11.949 -10.402 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.648 11.286 -11.643 1.00 0.00 H new ATOM 776 N ASP A 73 -7.149 9.019 -7.405 1.00 0.00 N ATOM 777 CA ASP A 73 -7.472 9.359 -6.027 1.00 0.00 C ATOM 778 C ASP A 73 -6.379 8.867 -5.075 1.00 0.00 C ATOM 779 O ASP A 73 -6.590 7.947 -4.282 1.00 0.00 O ATOM 780 CB ASP A 73 -8.829 8.758 -5.650 1.00 0.00 C ATOM 781 CG ASP A 73 -9.293 9.170 -4.271 1.00 0.00 C ATOM 782 OD1 ASP A 73 -9.193 10.370 -3.936 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.786 8.298 -3.527 1.00 0.00 O ATOM 0 H ASP A 73 -6.562 8.191 -7.508 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.529 10.444 -5.937 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.573 9.065 -6.385 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.765 7.671 -5.696 1.00 0.00 H new ATOM 788 N PRO A 74 -5.181 9.467 -5.152 1.00 0.00 N ATOM 789 CA PRO A 74 -4.062 9.097 -4.295 1.00 0.00 C ATOM 790 C PRO A 74 -4.063 9.865 -2.977 1.00 0.00 C ATOM 791 O PRO A 74 -3.357 9.510 -2.035 1.00 0.00 O ATOM 792 CB PRO A 74 -2.858 9.487 -5.148 1.00 0.00 C ATOM 793 CG PRO A 74 -3.314 10.675 -5.928 1.00 0.00 C ATOM 794 CD PRO A 74 -4.811 10.543 -6.094 1.00 0.00 C ATOM 0 HA PRO A 74 -4.083 8.047 -4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.995 9.728 -4.528 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.559 8.672 -5.807 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.063 11.599 -5.407 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.820 10.713 -6.899 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.323 11.475 -5.856 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.078 10.286 -7.119 1.00 0.00 H new ATOM 802 N SER A 75 -4.887 10.905 -2.913 1.00 0.00 N ATOM 803 CA SER A 75 -4.920 11.810 -1.771 1.00 0.00 C ATOM 804 C SER A 75 -5.388 11.112 -0.495 1.00 0.00 C ATOM 805 O SER A 75 -5.167 11.607 0.609 1.00 0.00 O ATOM 806 CB SER A 75 -5.827 12.993 -2.094 1.00 0.00 C ATOM 807 OG SER A 75 -5.484 13.547 -3.354 1.00 0.00 O ATOM 0 H SER A 75 -5.550 11.144 -3.650 1.00 0.00 H new ATOM 0 HA SER A 75 -3.904 12.159 -1.586 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.868 12.670 -2.102 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.735 13.753 -1.318 1.00 0.00 H new ATOM 0 HG SER A 75 -6.075 14.304 -3.550 1.00 0.00 H new ATOM 813 N GLN A 76 -6.010 9.952 -0.640 1.00 0.00 N ATOM 814 CA GLN A 76 -6.460 9.186 0.515 1.00 0.00 C ATOM 815 C GLN A 76 -5.265 8.579 1.248 1.00 0.00 C ATOM 816 O GLN A 76 -5.379 8.144 2.391 1.00 0.00 O ATOM 817 CB GLN A 76 -7.422 8.082 0.078 1.00 0.00 C ATOM 818 CG GLN A 76 -8.592 8.592 -0.744 1.00 0.00 C ATOM 819 CD GLN A 76 -9.467 9.575 0.006 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.619 9.495 1.227 1.00 0.00 O ATOM 821 NE2 GLN A 76 -10.040 10.520 -0.722 1.00 0.00 N ATOM 0 H GLN A 76 -6.215 9.521 -1.541 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.983 9.859 1.194 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.873 7.342 -0.505 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.804 7.572 0.962 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.212 9.070 -1.647 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.200 7.745 -1.063 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.888 10.550 -1.730 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.634 11.218 -0.275 1.00 0.00 H new ATOM 830 N ALA A 77 -4.115 8.573 0.586 1.00 0.00 N ATOM 831 CA ALA A 77 -2.912 7.980 1.151 1.00 0.00 C ATOM 832 C ALA A 77 -2.002 9.047 1.746 1.00 0.00 C ATOM 833 O ALA A 77 -0.858 8.768 2.106 1.00 0.00 O ATOM 834 CB ALA A 77 -2.168 7.180 0.088 1.00 0.00 C ATOM 0 H ALA A 77 -3.991 8.973 -0.344 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.211 7.306 1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.270 6.742 0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.813 6.386 -0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.888 7.839 -0.734 1.00 0.00 H new ATOM 840 N SER A 78 -2.520 10.267 1.853 1.00 0.00 N ATOM 841 CA SER A 78 -1.760 11.379 2.413 1.00 0.00 C ATOM 842 C SER A 78 -1.268 11.059 3.826 1.00 0.00 C ATOM 843 O SER A 78 -0.146 11.403 4.190 1.00 0.00 O ATOM 844 CB SER A 78 -2.613 12.652 2.428 1.00 0.00 C ATOM 845 OG SER A 78 -3.035 12.999 1.118 1.00 0.00 O ATOM 0 H SER A 78 -3.466 10.511 1.558 1.00 0.00 H new ATOM 0 HA SER A 78 -0.888 11.541 1.779 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.484 12.503 3.066 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.039 13.473 2.858 1.00 0.00 H new ATOM 0 HG SER A 78 -3.565 12.266 0.740 1.00 0.00 H new ATOM 851 N LYS A 79 -2.104 10.375 4.607 1.00 0.00 N ATOM 852 CA LYS A 79 -1.758 10.014 5.977 1.00 0.00 C ATOM 853 C LYS A 79 -0.532 9.099 6.007 1.00 0.00 C ATOM 854 O LYS A 79 0.266 9.159 6.937 1.00 0.00 O ATOM 855 CB LYS A 79 -2.949 9.337 6.666 1.00 0.00 C ATOM 856 CG LYS A 79 -2.738 9.014 8.143 1.00 0.00 C ATOM 857 CD LYS A 79 -2.579 10.265 9.000 1.00 0.00 C ATOM 858 CE LYS A 79 -1.119 10.568 9.307 1.00 0.00 C ATOM 859 NZ LYS A 79 -0.967 11.793 10.138 1.00 0.00 N ATOM 0 H LYS A 79 -3.028 10.060 4.311 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.513 10.927 6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.821 9.984 6.572 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.179 8.413 6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.585 8.433 8.509 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.852 8.389 8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.025 11.116 8.485 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.126 10.136 9.934 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.674 9.720 9.827 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.570 10.693 8.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.042 11.963 10.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.368 12.608 9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.468 11.665 11.040 1.00 0.00 H new ATOM 872 N VAL A 80 -0.371 8.274 4.981 1.00 0.00 N ATOM 873 CA VAL A 80 0.784 7.389 4.896 1.00 0.00 C ATOM 874 C VAL A 80 2.054 8.199 4.662 1.00 0.00 C ATOM 875 O VAL A 80 3.047 8.033 5.371 1.00 0.00 O ATOM 876 CB VAL A 80 0.627 6.335 3.777 1.00 0.00 C ATOM 877 CG1 VAL A 80 1.899 5.511 3.632 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.565 5.428 4.058 1.00 0.00 C ATOM 0 H VAL A 80 -1.022 8.199 4.199 1.00 0.00 H new ATOM 0 HA VAL A 80 0.855 6.860 5.846 1.00 0.00 H new ATOM 0 HB VAL A 80 0.448 6.859 2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.767 4.775 2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.732 6.168 3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.110 4.999 4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.659 4.693 3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.416 4.915 5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.474 6.027 4.108 1.00 0.00 H new ATOM 888 N CYS A 81 2.005 9.095 3.684 1.00 0.00 N ATOM 889 CA CYS A 81 3.134 9.971 3.397 1.00 0.00 C ATOM 890 C CYS A 81 3.451 10.847 4.606 1.00 0.00 C ATOM 891 O CYS A 81 4.613 11.035 4.964 1.00 0.00 O ATOM 892 CB CYS A 81 2.826 10.846 2.179 1.00 0.00 C ATOM 893 SG CYS A 81 2.514 9.910 0.644 1.00 0.00 S ATOM 0 H CYS A 81 1.197 9.234 3.077 1.00 0.00 H new ATOM 0 HA CYS A 81 4.005 9.354 3.178 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.954 11.462 2.399 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.662 11.525 2.013 1.00 0.00 H new ATOM 898 N GLN A 82 2.402 11.353 5.243 1.00 0.00 N ATOM 899 CA GLN A 82 2.540 12.212 6.413 1.00 0.00 C ATOM 900 C GLN A 82 3.179 11.440 7.569 1.00 0.00 C ATOM 901 O GLN A 82 4.014 11.968 8.300 1.00 0.00 O ATOM 902 CB GLN A 82 1.159 12.728 6.826 1.00 0.00 C ATOM 903 CG GLN A 82 1.185 13.949 7.732 1.00 0.00 C ATOM 904 CD GLN A 82 1.604 15.212 7.005 1.00 0.00 C ATOM 905 OE1 GLN A 82 2.414 15.180 6.079 1.00 0.00 O ATOM 906 NE2 GLN A 82 1.042 16.336 7.415 1.00 0.00 N ATOM 0 H GLN A 82 1.436 11.181 4.965 1.00 0.00 H new ATOM 0 HA GLN A 82 3.185 13.055 6.165 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.592 12.971 5.927 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.623 11.926 7.334 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.195 14.096 8.165 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.871 13.767 8.559 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.375 16.321 8.186 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.275 17.218 6.960 1.00 0.00 H new ATOM 915 N ARG A 83 2.781 10.178 7.706 1.00 0.00 N ATOM 916 CA ARG A 83 3.289 9.300 8.758 1.00 0.00 C ATOM 917 C ARG A 83 4.795 9.092 8.595 1.00 0.00 C ATOM 918 O ARG A 83 5.522 8.921 9.574 1.00 0.00 O ATOM 919 CB ARG A 83 2.545 7.956 8.684 1.00 0.00 C ATOM 920 CG ARG A 83 2.418 7.201 10.004 1.00 0.00 C ATOM 921 CD ARG A 83 3.694 6.469 10.391 1.00 0.00 C ATOM 922 NE ARG A 83 3.428 5.421 11.380 1.00 0.00 N ATOM 923 CZ ARG A 83 4.308 5.003 12.287 1.00 0.00 C ATOM 924 NH1 ARG A 83 5.504 5.561 12.358 1.00 0.00 N ATOM 925 NH2 ARG A 83 3.993 4.028 13.130 1.00 0.00 N ATOM 0 H ARG A 83 2.098 9.735 7.092 1.00 0.00 H new ATOM 0 HA ARG A 83 3.118 9.756 9.733 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.544 8.136 8.291 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.059 7.315 7.967 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.154 7.903 10.795 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.601 6.483 9.929 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.146 6.027 9.503 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.415 7.179 10.796 1.00 0.00 H new ATOM 0 HE ARG A 83 2.507 4.983 11.373 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.754 6.314 11.717 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.177 5.239 13.054 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.071 3.593 13.086 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.673 3.713 13.822 1.00 0.00 H new ATOM 938 N LEU A 84 5.255 9.126 7.349 1.00 0.00 N ATOM 939 CA LEU A 84 6.668 8.932 7.043 1.00 0.00 C ATOM 940 C LEU A 84 7.414 10.264 6.973 1.00 0.00 C ATOM 941 O LEU A 84 8.605 10.302 6.661 1.00 0.00 O ATOM 942 CB LEU A 84 6.814 8.192 5.715 1.00 0.00 C ATOM 943 CG LEU A 84 6.148 6.817 5.661 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.204 6.254 4.252 1.00 0.00 C ATOM 945 CD2 LEU A 84 6.812 5.859 6.638 1.00 0.00 C ATOM 0 H LEU A 84 4.667 9.287 6.531 1.00 0.00 H new ATOM 0 HA LEU A 84 7.106 8.340 7.846 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.395 8.813 4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.876 8.073 5.498 1.00 0.00 H new ATOM 0 HG LEU A 84 5.103 6.933 5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.725 5.275 4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.683 6.926 3.571 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.244 6.156 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.323 4.887 6.583 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.866 5.750 6.381 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.724 6.253 7.650 1.00 0.00 H new ATOM 957 N ASN A 85 6.697 11.348 7.277 1.00 0.00 N ATOM 958 CA ASN A 85 7.241 12.711 7.226 1.00 0.00 C ATOM 959 C ASN A 85 7.633 13.090 5.795 1.00 0.00 C ATOM 960 O ASN A 85 8.695 13.665 5.544 1.00 0.00 O ATOM 961 CB ASN A 85 8.440 12.870 8.173 1.00 0.00 C ATOM 962 CG ASN A 85 8.833 14.326 8.377 1.00 0.00 C ATOM 963 OD1 ASN A 85 7.985 15.218 8.357 1.00 0.00 O ATOM 964 ND2 ASN A 85 10.119 14.575 8.568 1.00 0.00 N ATOM 0 H ASN A 85 5.720 11.307 7.567 1.00 0.00 H new ATOM 0 HA ASN A 85 6.457 13.391 7.560 1.00 0.00 H new ATOM 0 HB2 ASN A 85 8.198 12.424 9.138 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.291 12.320 7.772 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.438 15.534 8.705 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.791 13.808 8.578 1.00 0.00 H new ATOM 971 N CYS A 86 6.766 12.754 4.860 1.00 0.00 N ATOM 972 CA CYS A 86 6.947 13.129 3.470 1.00 0.00 C ATOM 973 C CYS A 86 5.806 14.026 3.030 1.00 0.00 C ATOM 974 O CYS A 86 4.799 14.142 3.731 1.00 0.00 O ATOM 975 CB CYS A 86 7.010 11.888 2.573 1.00 0.00 C ATOM 976 SG CYS A 86 8.598 10.994 2.618 1.00 0.00 S ATOM 0 H CYS A 86 5.919 12.215 5.041 1.00 0.00 H new ATOM 0 HA CYS A 86 7.890 13.667 3.377 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.215 11.203 2.867 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.807 12.189 1.545 1.00 0.00 H new ATOM 981 N GLY A 87 5.961 14.658 1.880 1.00 0.00 N ATOM 982 CA GLY A 87 4.914 15.506 1.359 1.00 0.00 C ATOM 983 C GLY A 87 3.771 14.703 0.768 1.00 0.00 C ATOM 984 O GLY A 87 3.829 13.471 0.722 1.00 0.00 O ATOM 0 H GLY A 87 6.796 14.599 1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.534 16.144 2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.328 16.164 0.595 1.00 0.00 H new ATOM 988 N ASP A 88 2.748 15.407 0.304 1.00 0.00 N ATOM 989 CA ASP A 88 1.529 14.786 -0.220 1.00 0.00 C ATOM 990 C ASP A 88 1.831 13.793 -1.345 1.00 0.00 C ATOM 991 O ASP A 88 2.814 13.939 -2.076 1.00 0.00 O ATOM 992 CB ASP A 88 0.568 15.868 -0.722 1.00 0.00 C ATOM 993 CG ASP A 88 0.108 16.795 0.387 1.00 0.00 C ATOM 994 OD1 ASP A 88 0.788 17.813 0.637 1.00 0.00 O ATOM 995 OD2 ASP A 88 -0.936 16.511 1.015 1.00 0.00 O ATOM 0 H ASP A 88 2.735 16.427 0.278 1.00 0.00 H new ATOM 0 HA ASP A 88 1.065 14.230 0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.059 16.453 -1.500 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.301 15.394 -1.179 1.00 0.00 H new ATOM 1000 N PRO A 89 0.979 12.763 -1.487 1.00 0.00 N ATOM 1001 CA PRO A 89 1.173 11.694 -2.466 1.00 0.00 C ATOM 1002 C PRO A 89 0.888 12.134 -3.900 1.00 0.00 C ATOM 1003 O PRO A 89 -0.182 12.671 -4.204 1.00 0.00 O ATOM 1004 CB PRO A 89 0.180 10.619 -2.027 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.891 11.352 -1.300 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.244 12.564 -0.688 1.00 0.00 C ATOM 0 HA PRO A 89 2.209 11.357 -2.485 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.223 10.081 -2.885 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.658 9.880 -1.384 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.692 11.642 -1.980 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.338 10.722 -0.531 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.899 13.434 -0.739 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.010 12.402 0.364 1.00 0.00 H new ATOM 1014 N LEU A 90 1.857 11.893 -4.770 1.00 0.00 N ATOM 1015 CA LEU A 90 1.754 12.253 -6.176 1.00 0.00 C ATOM 1016 C LEU A 90 1.014 11.183 -6.966 1.00 0.00 C ATOM 1017 O LEU A 90 0.150 11.488 -7.788 1.00 0.00 O ATOM 1018 CB LEU A 90 3.151 12.441 -6.775 1.00 0.00 C ATOM 1019 CG LEU A 90 3.936 13.644 -6.255 1.00 0.00 C ATOM 1020 CD1 LEU A 90 5.371 13.603 -6.759 1.00 0.00 C ATOM 1021 CD2 LEU A 90 3.265 14.941 -6.681 1.00 0.00 C ATOM 0 H LEU A 90 2.737 11.442 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 90 1.194 13.186 -6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.733 11.540 -6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.053 12.534 -7.857 1.00 0.00 H new ATOM 0 HG LEU A 90 3.950 13.600 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.915 14.468 -6.379 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.853 12.689 -6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.375 13.623 -7.849 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.837 15.788 -6.302 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.223 14.989 -7.769 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.253 14.977 -6.277 1.00 0.00 H new ATOM 1033 N SER A 91 1.366 9.932 -6.724 1.00 0.00 N ATOM 1034 CA SER A 91 0.791 8.826 -7.469 1.00 0.00 C ATOM 1035 C SER A 91 0.642 7.588 -6.590 1.00 0.00 C ATOM 1036 O SER A 91 1.392 7.402 -5.629 1.00 0.00 O ATOM 1037 CB SER A 91 1.658 8.522 -8.693 1.00 0.00 C ATOM 1038 OG SER A 91 3.037 8.531 -8.359 1.00 0.00 O ATOM 0 H SER A 91 2.048 9.657 -6.017 1.00 0.00 H new ATOM 0 HA SER A 91 -0.206 9.113 -7.803 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.386 7.549 -9.102 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.465 9.260 -9.471 1.00 0.00 H new ATOM 0 HG SER A 91 3.564 8.255 -9.138 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.331 6.755 -6.934 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.646 5.559 -6.168 1.00 0.00 C ATOM 1046 C LEU A 92 -1.233 4.504 -7.100 1.00 0.00 C ATOM 1047 O LEU A 92 -2.025 4.831 -7.987 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.661 5.898 -5.066 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.113 4.724 -4.190 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -1.017 4.326 -3.212 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -3.399 5.075 -3.450 1.00 0.00 C ATOM 0 H LEU A 92 -0.924 6.890 -7.753 1.00 0.00 H new ATOM 0 HA LEU A 92 0.264 5.174 -5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.227 6.662 -4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.542 6.338 -5.533 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.312 3.870 -4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.360 3.491 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.126 4.029 -3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.779 5.173 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.706 4.231 -2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.228 5.945 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.184 5.301 -4.172 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.842 3.253 -6.918 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.406 2.187 -7.729 1.00 0.00 C ATOM 1065 C GLY A 93 -0.390 1.123 -8.100 1.00 0.00 C ATOM 1066 O GLY A 93 0.615 0.963 -7.414 1.00 0.00 O ATOM 0 H GLY A 93 -0.150 2.955 -6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.229 1.722 -7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.826 2.614 -8.640 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.631 0.369 -9.185 1.00 0.00 N ATOM 1071 CA PRO A 94 0.277 -0.693 -9.633 1.00 0.00 C ATOM 1072 C PRO A 94 1.562 -0.133 -10.242 1.00 0.00 C ATOM 1073 O PRO A 94 1.580 0.289 -11.397 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.543 -1.431 -10.696 1.00 0.00 C ATOM 1075 CG PRO A 94 -1.485 -0.408 -11.223 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.807 0.496 -10.066 1.00 0.00 C ATOM 0 HA PRO A 94 0.604 -1.329 -8.810 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.096 -1.825 -11.486 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.078 -2.278 -10.266 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.034 0.152 -12.042 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.388 -0.875 -11.616 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.954 1.526 -10.391 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.722 0.188 -9.560 1.00 0.00 H new ATOM 1084 N PHE A 95 2.636 -0.140 -9.466 1.00 0.00 N ATOM 1085 CA PHE A 95 3.890 0.449 -9.910 1.00 0.00 C ATOM 1086 C PHE A 95 4.875 -0.617 -10.369 1.00 0.00 C ATOM 1087 O PHE A 95 5.226 -0.680 -11.546 1.00 0.00 O ATOM 1088 CB PHE A 95 4.498 1.312 -8.800 1.00 0.00 C ATOM 1089 CG PHE A 95 4.050 2.748 -8.847 1.00 0.00 C ATOM 1090 CD1 PHE A 95 2.715 3.080 -8.675 1.00 0.00 C ATOM 1091 CD2 PHE A 95 4.966 3.765 -9.063 1.00 0.00 C ATOM 1092 CE1 PHE A 95 2.302 4.397 -8.719 1.00 0.00 C ATOM 1093 CE2 PHE A 95 4.557 5.084 -9.108 1.00 0.00 C ATOM 1094 CZ PHE A 95 3.225 5.398 -8.935 1.00 0.00 C ATOM 0 H PHE A 95 2.664 -0.545 -8.530 1.00 0.00 H new ATOM 0 HA PHE A 95 3.676 1.087 -10.767 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.231 0.887 -7.832 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.585 1.275 -8.875 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.989 2.299 -8.504 1.00 0.00 H new ATOM 0 HD2 PHE A 95 6.010 3.524 -9.198 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.259 4.642 -8.585 1.00 0.00 H new ATOM 0 HE2 PHE A 95 5.280 5.868 -9.278 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.905 6.429 -8.969 1.00 0.00 H new ATOM 1104 N LEU A 96 5.297 -1.473 -9.452 1.00 0.00 N ATOM 1105 CA LEU A 96 6.318 -2.464 -9.769 1.00 0.00 C ATOM 1106 C LEU A 96 5.684 -3.825 -10.023 1.00 0.00 C ATOM 1107 O LEU A 96 4.494 -4.024 -9.766 1.00 0.00 O ATOM 1108 CB LEU A 96 7.368 -2.541 -8.654 1.00 0.00 C ATOM 1109 CG LEU A 96 8.140 -1.237 -8.398 1.00 0.00 C ATOM 1110 CD1 LEU A 96 9.222 -1.448 -7.353 1.00 0.00 C ATOM 1111 CD2 LEU A 96 8.752 -0.702 -9.689 1.00 0.00 C ATOM 0 H LEU A 96 4.954 -1.504 -8.492 1.00 0.00 H new ATOM 0 HA LEU A 96 6.825 -2.154 -10.682 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.874 -2.840 -7.730 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.082 -3.326 -8.902 1.00 0.00 H new ATOM 0 HG LEU A 96 7.432 -0.499 -8.022 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.756 -0.512 -7.188 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.766 -1.776 -6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.921 -2.208 -7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.293 0.221 -9.480 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.441 -1.441 -10.099 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.961 -0.503 -10.412 1.00 0.00 H new ATOM 1123 N LYS A 97 6.475 -4.753 -10.542 1.00 0.00 N ATOM 1124 CA LYS A 97 5.956 -6.051 -10.951 1.00 0.00 C ATOM 1125 C LYS A 97 6.722 -7.181 -10.275 1.00 0.00 C ATOM 1126 O LYS A 97 7.407 -7.964 -10.933 1.00 0.00 O ATOM 1127 CB LYS A 97 6.024 -6.221 -12.477 1.00 0.00 C ATOM 1128 CG LYS A 97 5.229 -5.188 -13.269 1.00 0.00 C ATOM 1129 CD LYS A 97 6.008 -3.895 -13.456 1.00 0.00 C ATOM 1130 CE LYS A 97 5.206 -2.868 -14.237 1.00 0.00 C ATOM 1131 NZ LYS A 97 4.036 -2.365 -13.467 1.00 0.00 N ATOM 0 H LYS A 97 7.477 -4.632 -10.690 1.00 0.00 H new ATOM 0 HA LYS A 97 4.912 -6.096 -10.641 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.068 -6.173 -12.788 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.660 -7.216 -12.735 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.969 -5.600 -14.244 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.293 -4.976 -12.753 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.274 -3.485 -12.482 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.941 -4.104 -13.979 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.851 -2.031 -14.502 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.861 -3.312 -15.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.471 -1.732 -14.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.449 -3.168 -13.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.369 -1.843 -12.631 1.00 0.00 H new ATOM 1144 N THR A 98 6.611 -7.259 -8.961 1.00 0.00 N ATOM 1145 CA THR A 98 7.270 -8.314 -8.209 1.00 0.00 C ATOM 1146 C THR A 98 6.499 -9.627 -8.346 1.00 0.00 C ATOM 1147 O THR A 98 7.103 -10.693 -8.472 1.00 0.00 O ATOM 1148 CB THR A 98 7.395 -7.924 -6.722 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.919 -6.591 -6.615 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.306 -8.889 -5.976 1.00 0.00 C ATOM 0 H THR A 98 6.072 -6.606 -8.392 1.00 0.00 H new ATOM 0 HA THR A 98 8.271 -8.451 -8.617 1.00 0.00 H new ATOM 0 HB THR A 98 6.403 -7.971 -6.273 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.185 -5.945 -6.680 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.375 -8.589 -4.930 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.897 -9.897 -6.038 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.299 -8.872 -6.425 1.00 0.00 H new ATOM 1158 N TYR A 99 5.166 -9.526 -8.358 1.00 0.00 N ATOM 1159 CA TYR A 99 4.279 -10.689 -8.499 1.00 0.00 C ATOM 1160 C TYR A 99 4.697 -11.835 -7.583 1.00 0.00 C ATOM 1161 O TYR A 99 5.229 -12.850 -8.037 1.00 0.00 O ATOM 1162 CB TYR A 99 4.246 -11.189 -9.943 1.00 0.00 C ATOM 1163 CG TYR A 99 3.651 -10.217 -10.938 1.00 0.00 C ATOM 1164 CD1 TYR A 99 2.302 -9.889 -10.900 1.00 0.00 C ATOM 1165 CD2 TYR A 99 4.434 -9.652 -11.935 1.00 0.00 C ATOM 1166 CE1 TYR A 99 1.754 -9.020 -11.822 1.00 0.00 C ATOM 1167 CE2 TYR A 99 3.893 -8.780 -12.857 1.00 0.00 C ATOM 1168 CZ TYR A 99 2.555 -8.469 -12.799 1.00 0.00 C ATOM 1169 OH TYR A 99 2.016 -7.604 -13.721 1.00 0.00 O ATOM 0 H TYR A 99 4.671 -8.639 -8.271 1.00 0.00 H new ATOM 0 HA TYR A 99 3.282 -10.355 -8.210 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.263 -11.427 -10.253 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.676 -12.117 -9.978 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.672 -10.321 -10.137 1.00 0.00 H new ATOM 0 HD2 TYR A 99 5.484 -9.899 -11.990 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.703 -8.773 -11.778 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.518 -8.343 -13.622 1.00 0.00 H new ATOM 0 HH TYR A 99 1.056 -7.503 -13.552 1.00 0.00 H new ATOM 1179 N THR A 100 4.462 -11.675 -6.297 1.00 0.00 N ATOM 1180 CA THR A 100 4.793 -12.714 -5.342 1.00 0.00 C ATOM 1181 C THR A 100 3.627 -12.951 -4.387 1.00 0.00 C ATOM 1182 O THR A 100 3.507 -12.274 -3.359 1.00 0.00 O ATOM 1183 CB THR A 100 6.062 -12.352 -4.544 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.123 -12.012 -5.447 1.00 0.00 O ATOM 1185 CG2 THR A 100 6.502 -13.512 -3.662 1.00 0.00 C ATOM 0 H THR A 100 4.044 -10.839 -5.889 1.00 0.00 H new ATOM 0 HA THR A 100 4.988 -13.630 -5.900 1.00 0.00 H new ATOM 0 HB THR A 100 5.831 -11.499 -3.906 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.927 -11.781 -4.936 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.399 -13.230 -3.110 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.706 -13.757 -2.959 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.717 -14.381 -4.284 1.00 0.00 H new ATOM 1193 N PRO A 101 2.735 -13.903 -4.731 1.00 0.00 N ATOM 1194 CA PRO A 101 1.585 -14.268 -3.896 1.00 0.00 C ATOM 1195 C PRO A 101 2.024 -15.007 -2.634 1.00 0.00 C ATOM 1196 O PRO A 101 1.748 -16.193 -2.457 1.00 0.00 O ATOM 1197 CB PRO A 101 0.744 -15.189 -4.796 1.00 0.00 C ATOM 1198 CG PRO A 101 1.327 -15.056 -6.165 1.00 0.00 C ATOM 1199 CD PRO A 101 2.769 -14.696 -5.966 1.00 0.00 C ATOM 0 HA PRO A 101 1.034 -13.392 -3.552 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.788 -16.222 -4.450 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -0.305 -14.894 -4.787 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.231 -15.988 -6.722 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.808 -14.287 -6.737 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.397 -15.581 -5.862 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.163 -14.122 -6.805 1.00 0.00 H new ATOM 1207 N GLN A 102 2.724 -14.286 -1.777 1.00 0.00 N ATOM 1208 CA GLN A 102 3.260 -14.829 -0.542 1.00 0.00 C ATOM 1209 C GLN A 102 3.645 -13.685 0.384 1.00 0.00 C ATOM 1210 O GLN A 102 3.188 -13.609 1.524 1.00 0.00 O ATOM 1211 CB GLN A 102 4.479 -15.706 -0.838 1.00 0.00 C ATOM 1212 CG GLN A 102 5.171 -16.234 0.406 1.00 0.00 C ATOM 1213 CD GLN A 102 6.406 -17.044 0.074 1.00 0.00 C ATOM 1214 OE1 GLN A 102 7.505 -16.503 -0.044 1.00 0.00 O ATOM 1215 NE2 GLN A 102 6.237 -18.346 -0.077 1.00 0.00 N ATOM 0 H GLN A 102 2.938 -13.299 -1.920 1.00 0.00 H new ATOM 0 HA GLN A 102 2.503 -15.445 -0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.167 -16.549 -1.454 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.195 -15.130 -1.424 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.449 -15.398 1.048 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.474 -16.852 0.972 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.309 -18.756 0.029 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.035 -18.941 -0.300 1.00 0.00 H new ATOM 1224 N SER A 103 4.476 -12.788 -0.129 1.00 0.00 N ATOM 1225 CA SER A 103 4.912 -11.623 0.628 1.00 0.00 C ATOM 1226 C SER A 103 3.903 -10.486 0.494 1.00 0.00 C ATOM 1227 O SER A 103 3.976 -9.485 1.210 1.00 0.00 O ATOM 1228 CB SER A 103 6.285 -11.171 0.131 1.00 0.00 C ATOM 1229 OG SER A 103 7.177 -12.269 0.051 1.00 0.00 O ATOM 0 H SER A 103 4.863 -12.846 -1.071 1.00 0.00 H new ATOM 0 HA SER A 103 4.982 -11.895 1.681 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.187 -10.704 -0.849 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.690 -10.416 0.804 1.00 0.00 H new ATOM 0 HG SER A 103 8.049 -11.959 -0.271 1.00 0.00 H new ATOM 1235 N SER A 104 2.956 -10.650 -0.418 1.00 0.00 N ATOM 1236 CA SER A 104 1.945 -9.635 -0.652 1.00 0.00 C ATOM 1237 C SER A 104 0.577 -10.117 -0.167 1.00 0.00 C ATOM 1238 O SER A 104 0.308 -11.320 -0.128 1.00 0.00 O ATOM 1239 CB SER A 104 1.894 -9.270 -2.140 1.00 0.00 C ATOM 1240 OG SER A 104 1.685 -10.415 -2.949 1.00 0.00 O ATOM 0 H SER A 104 2.868 -11.478 -1.007 1.00 0.00 H new ATOM 0 HA SER A 104 2.211 -8.742 -0.086 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.093 -8.551 -2.312 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.826 -8.784 -2.429 1.00 0.00 H new ATOM 0 HG SER A 104 2.550 -10.815 -3.180 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.269 -9.172 0.223 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.618 -9.470 0.685 1.00 0.00 C ATOM 1248 C ILE A 105 -2.616 -8.557 -0.015 1.00 0.00 C ATOM 1249 O ILE A 105 -2.256 -7.484 -0.498 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.760 -9.294 2.218 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.302 -7.891 2.633 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.977 -10.372 2.961 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.446 -7.608 4.114 1.00 0.00 C ATOM 0 H ILE A 105 -0.039 -8.178 0.228 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.822 -10.513 0.443 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.810 -9.404 2.487 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.258 -7.762 2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.877 -7.152 2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.091 -10.229 4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.358 -11.355 2.683 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.078 -10.303 2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.101 -6.596 4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.493 -7.702 4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.848 -8.322 4.681 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.863 -8.981 -0.068 1.00 0.00 N ATOM 1266 CA ILE A 106 -4.907 -8.203 -0.708 1.00 0.00 C ATOM 1267 C ILE A 106 -6.039 -7.945 0.285 1.00 0.00 C ATOM 1268 O ILE A 106 -6.542 -8.865 0.932 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.431 -8.903 -1.992 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -6.432 -8.009 -2.726 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -6.053 -10.254 -1.667 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -6.974 -8.620 -4.003 1.00 0.00 C ATOM 0 H ILE A 106 -4.180 -9.866 0.327 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.487 -7.246 -1.018 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.579 -9.076 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.264 -7.787 -2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -5.952 -7.060 -2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.411 -10.720 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.305 -10.896 -1.201 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.889 -10.114 -0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.677 -7.928 -4.467 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.151 -8.817 -4.690 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.484 -9.555 -3.771 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.413 -6.690 0.436 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.382 -6.313 1.450 1.00 0.00 C ATOM 1286 C CYS A 107 -8.772 -6.159 0.854 1.00 0.00 C ATOM 1287 O CYS A 107 -8.930 -5.677 -0.268 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.946 -5.016 2.130 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.252 -5.073 2.804 1.00 0.00 S ATOM 0 H CYS A 107 -6.063 -5.915 -0.128 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.426 -7.109 2.194 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.014 -4.199 1.412 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.641 -4.789 2.938 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.774 -6.583 1.607 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.160 -6.463 1.187 1.00 0.00 C ATOM 1296 C TYR A 108 -11.939 -5.648 2.214 1.00 0.00 C ATOM 1297 O TYR A 108 -11.424 -5.348 3.294 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.795 -7.848 1.014 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.247 -8.638 -0.160 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.617 -8.326 -1.464 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.368 -9.698 0.035 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.129 -9.048 -2.539 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -9.875 -10.423 -1.036 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.257 -10.093 -2.320 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.766 -10.813 -3.387 1.00 0.00 O ATOM 0 H TYR A 108 -9.650 -7.018 2.521 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.193 -5.952 0.225 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.643 -8.423 1.928 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.871 -7.729 0.888 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.297 -7.506 -1.641 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.065 -9.960 1.038 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.430 -8.794 -3.545 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.194 -11.244 -0.867 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.164 -11.513 -3.060 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.167 -5.285 1.879 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.988 -4.525 2.796 1.00 0.00 C ATOM 1317 C GLY A 109 -14.064 -3.057 2.435 1.00 0.00 C ATOM 1318 O GLY A 109 -14.260 -2.701 1.274 1.00 0.00 O ATOM 0 H GLY A 109 -13.610 -5.504 0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.994 -4.944 2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.588 -4.626 3.805 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.886 -2.205 3.434 1.00 0.00 N ATOM 1323 CA GLN A 110 -14.018 -0.767 3.255 1.00 0.00 C ATOM 1324 C GLN A 110 -12.666 -0.128 2.976 1.00 0.00 C ATOM 1325 O GLN A 110 -11.674 -0.433 3.645 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.652 -0.142 4.499 1.00 0.00 C ATOM 1327 CG GLN A 110 -16.107 -0.540 4.703 1.00 0.00 C ATOM 1328 CD GLN A 110 -16.682 -0.038 6.013 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -15.839 0.067 7.026 1.00 0.00 O flip ATOM 1330 NE2 GLN A 110 -17.875 0.249 6.113 1.00 0.00 N flip ATOM 0 H GLN A 110 -13.648 -2.488 4.385 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.663 -0.585 2.396 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.077 -0.436 5.377 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.587 0.943 4.424 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.703 -0.150 3.878 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.189 -1.626 4.670 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -18.492 0.154 5.306 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -18.247 0.582 7.003 1.00 0.00 H new ATOM 1339 N LEU A 111 -12.646 0.753 1.980 1.00 0.00 N ATOM 1340 CA LEU A 111 -11.435 1.448 1.557 1.00 0.00 C ATOM 1341 C LEU A 111 -10.745 2.139 2.729 1.00 0.00 C ATOM 1342 O LEU A 111 -11.287 3.072 3.323 1.00 0.00 O ATOM 1343 CB LEU A 111 -11.783 2.478 0.470 1.00 0.00 C ATOM 1344 CG LEU A 111 -10.623 3.363 -0.008 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -9.570 2.545 -0.740 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -11.139 4.484 -0.897 1.00 0.00 C ATOM 0 H LEU A 111 -13.474 1.006 1.441 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.743 0.708 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -12.188 1.947 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.576 3.124 0.848 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.154 3.803 0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -8.762 3.200 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.171 1.783 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.021 2.065 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -10.303 5.101 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.640 4.058 -1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.844 5.098 -0.336 1.00 0.00 H new ATOM 1358 N GLY A 112 -9.552 1.661 3.058 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.767 2.280 4.105 1.00 0.00 C ATOM 1360 C GLY A 112 -8.629 1.405 5.334 1.00 0.00 C ATOM 1361 O GLY A 112 -7.859 1.722 6.243 1.00 0.00 O ATOM 0 H GLY A 112 -9.114 0.853 2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.775 2.514 3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.230 3.225 4.388 1.00 0.00 H new ATOM 1365 N SER A 113 -9.366 0.305 5.367 1.00 0.00 N ATOM 1366 CA SER A 113 -9.333 -0.584 6.514 1.00 0.00 C ATOM 1367 C SER A 113 -8.411 -1.776 6.255 1.00 0.00 C ATOM 1368 O SER A 113 -8.713 -2.650 5.439 1.00 0.00 O ATOM 1369 CB SER A 113 -10.746 -1.069 6.847 1.00 0.00 C ATOM 1370 OG SER A 113 -10.793 -1.688 8.125 1.00 0.00 O ATOM 0 H SER A 113 -9.990 0.009 4.616 1.00 0.00 H new ATOM 0 HA SER A 113 -8.940 -0.029 7.365 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.437 -0.226 6.823 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.079 -1.775 6.086 1.00 0.00 H new ATOM 0 HG SER A 113 -11.708 -1.986 8.311 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.282 -1.792 6.951 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.337 -2.906 6.887 1.00 0.00 C ATOM 1378 C PHE A 114 -6.574 -3.860 8.052 1.00 0.00 C ATOM 1379 O PHE A 114 -5.682 -4.608 8.451 1.00 0.00 O ATOM 1380 CB PHE A 114 -4.891 -2.399 6.944 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.390 -1.790 5.664 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -3.773 -2.582 4.711 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.514 -0.430 5.422 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.292 -2.034 3.539 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -4.030 0.124 4.253 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.420 -0.679 3.311 1.00 0.00 C ATOM 0 H PHE A 114 -6.994 -1.038 7.574 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.495 -3.427 5.943 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.811 -1.658 7.739 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.239 -3.229 7.215 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -3.667 -3.642 4.887 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.994 0.202 6.155 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -2.817 -2.664 2.802 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -4.129 1.185 4.076 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.043 -0.247 2.396 1.00 0.00 H new ATOM 1396 N SER A 115 -7.783 -3.817 8.596 1.00 0.00 N ATOM 1397 CA SER A 115 -8.136 -4.600 9.773 1.00 0.00 C ATOM 1398 C SER A 115 -7.969 -6.093 9.524 1.00 0.00 C ATOM 1399 O SER A 115 -7.440 -6.817 10.368 1.00 0.00 O ATOM 1400 CB SER A 115 -9.575 -4.293 10.180 1.00 0.00 C ATOM 1401 OG SER A 115 -9.766 -2.895 10.297 1.00 0.00 O ATOM 0 H SER A 115 -8.544 -3.241 8.236 1.00 0.00 H new ATOM 0 HA SER A 115 -7.459 -4.323 10.581 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.264 -4.700 9.440 1.00 0.00 H new ATOM 0 HB3 SER A 115 -9.803 -4.779 11.129 1.00 0.00 H new ATOM 0 HG SER A 115 -10.242 -2.563 9.507 1.00 0.00 H new ATOM 1407 N ASN A 116 -8.414 -6.550 8.364 1.00 0.00 N ATOM 1408 CA ASN A 116 -8.294 -7.952 8.011 1.00 0.00 C ATOM 1409 C ASN A 116 -8.118 -8.110 6.511 1.00 0.00 C ATOM 1410 O ASN A 116 -9.079 -8.028 5.743 1.00 0.00 O ATOM 1411 CB ASN A 116 -9.512 -8.745 8.490 1.00 0.00 C ATOM 1412 CG ASN A 116 -9.393 -10.220 8.157 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -9.871 -10.678 7.118 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -8.738 -10.974 9.027 1.00 0.00 N ATOM 0 H ASN A 116 -8.860 -5.970 7.653 1.00 0.00 H new ATOM 0 HA ASN A 116 -7.411 -8.350 8.511 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -9.623 -8.624 9.568 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -10.413 -8.340 8.029 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -8.615 -11.971 8.847 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -8.356 -10.558 9.877 1.00 0.00 H new ATOM 1421 N CYS A 117 -6.882 -8.313 6.100 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.568 -8.519 4.700 1.00 0.00 C ATOM 1423 C CYS A 117 -6.367 -10.006 4.432 1.00 0.00 C ATOM 1424 O CYS A 117 -6.078 -10.779 5.346 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.321 -7.719 4.315 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.467 -5.928 4.635 1.00 0.00 S ATOM 0 H CYS A 117 -6.073 -8.340 6.721 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.398 -8.166 4.088 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.466 -8.109 4.867 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.114 -7.874 3.256 1.00 0.00 H new ATOM 1431 N SER A 118 -6.536 -10.397 3.184 1.00 0.00 N ATOM 1432 CA SER A 118 -6.461 -11.790 2.798 1.00 0.00 C ATOM 1433 C SER A 118 -5.198 -12.030 1.982 1.00 0.00 C ATOM 1434 O SER A 118 -4.634 -11.104 1.402 1.00 0.00 O ATOM 1435 CB SER A 118 -7.714 -12.154 1.987 1.00 0.00 C ATOM 1436 OG SER A 118 -7.726 -13.521 1.602 1.00 0.00 O ATOM 0 H SER A 118 -6.729 -9.759 2.412 1.00 0.00 H new ATOM 0 HA SER A 118 -6.419 -12.422 3.685 1.00 0.00 H new ATOM 0 HB2 SER A 118 -8.603 -11.937 2.579 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.763 -11.527 1.097 1.00 0.00 H new ATOM 0 HG SER A 118 -8.540 -13.710 1.090 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.742 -13.269 1.967 1.00 0.00 N ATOM 1443 CA HIS A 119 -3.596 -13.649 1.165 1.00 0.00 C ATOM 1444 C HIS A 119 -4.007 -13.677 -0.300 1.00 0.00 C ATOM 1445 O HIS A 119 -5.080 -14.169 -0.631 1.00 0.00 O ATOM 1446 CB HIS A 119 -3.086 -15.024 1.611 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.808 -15.446 0.955 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.703 -16.568 0.160 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -0.570 -14.902 1.000 1.00 0.00 C ATOM 1450 CE1 HIS A 119 -0.459 -16.696 -0.255 1.00 0.00 C ATOM 1451 NE2 HIS A 119 0.250 -15.698 0.239 1.00 0.00 N ATOM 0 H HIS A 119 -5.151 -14.033 2.505 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.791 -12.926 1.296 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.940 -15.012 2.691 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -3.853 -15.769 1.401 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -2.469 -17.200 -0.071 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -0.281 -14.009 1.534 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -0.083 -17.484 -0.891 1.00 0.00 H new ATOM 1459 N SER A 120 -3.168 -13.121 -1.161 1.00 0.00 N ATOM 1460 CA SER A 120 -3.468 -13.043 -2.583 1.00 0.00 C ATOM 1461 C SER A 120 -3.626 -14.439 -3.186 1.00 0.00 C ATOM 1462 O SER A 120 -2.682 -15.227 -3.200 1.00 0.00 O ATOM 1463 CB SER A 120 -2.351 -12.283 -3.290 1.00 0.00 C ATOM 1464 OG SER A 120 -2.053 -11.080 -2.604 1.00 0.00 O ATOM 0 H SER A 120 -2.270 -12.715 -0.898 1.00 0.00 H new ATOM 0 HA SER A 120 -4.412 -12.514 -2.717 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.459 -12.906 -3.346 1.00 0.00 H new ATOM 0 HB3 SER A 120 -2.648 -12.059 -4.315 1.00 0.00 H new ATOM 0 HG SER A 120 -2.057 -10.332 -3.238 1.00 0.00 H new ATOM 1470 N ARG A 121 -4.825 -14.736 -3.681 1.00 0.00 N ATOM 1471 CA ARG A 121 -5.128 -16.062 -4.218 1.00 0.00 C ATOM 1472 C ARG A 121 -4.934 -16.089 -5.734 1.00 0.00 C ATOM 1473 O ARG A 121 -5.273 -17.070 -6.396 1.00 0.00 O ATOM 1474 CB ARG A 121 -6.575 -16.458 -3.886 1.00 0.00 C ATOM 1475 CG ARG A 121 -7.018 -16.084 -2.479 1.00 0.00 C ATOM 1476 CD ARG A 121 -6.232 -16.818 -1.402 1.00 0.00 C ATOM 1477 NE ARG A 121 -6.705 -18.182 -1.193 1.00 0.00 N ATOM 1478 CZ ARG A 121 -7.142 -18.632 -0.021 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -7.180 -17.817 1.027 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -7.527 -19.889 0.118 1.00 0.00 N ATOM 0 H ARG A 121 -5.603 -14.077 -3.722 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.443 -16.774 -3.757 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -7.244 -15.982 -4.604 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -6.684 -17.535 -4.015 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -6.902 -15.009 -2.339 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -8.079 -16.307 -2.365 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -5.178 -16.841 -1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -6.303 -16.265 -0.465 1.00 0.00 H new ATOM 0 HE ARG A 121 -6.700 -18.823 -1.986 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -6.874 -16.849 0.931 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -7.515 -18.160 1.928 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -7.490 -20.525 -0.679 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -7.861 -20.223 1.022 1.00 0.00 H new ATOM 1493 N ASN A 122 -4.387 -15.011 -6.282 1.00 0.00 N ATOM 1494 CA ASN A 122 -4.265 -14.861 -7.728 1.00 0.00 C ATOM 1495 C ASN A 122 -2.945 -14.195 -8.110 1.00 0.00 C ATOM 1496 O ASN A 122 -2.282 -13.581 -7.274 1.00 0.00 O ATOM 1497 CB ASN A 122 -5.456 -14.070 -8.283 1.00 0.00 C ATOM 1498 CG ASN A 122 -5.599 -12.679 -7.683 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -5.172 -12.414 -6.559 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -6.226 -11.785 -8.427 1.00 0.00 N ATOM 0 H ASN A 122 -4.020 -14.225 -5.746 1.00 0.00 H new ATOM 0 HA ASN A 122 -4.270 -15.856 -8.172 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -5.349 -13.981 -9.364 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -6.372 -14.632 -8.098 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -6.370 -10.839 -8.074 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -6.566 -12.041 -9.354 1.00 0.00 H new ATOM 1507 N ASP A 123 -2.577 -14.313 -9.383 1.00 0.00 N ATOM 1508 CA ASP A 123 -1.238 -13.932 -9.844 1.00 0.00 C ATOM 1509 C ASP A 123 -1.171 -12.513 -10.402 1.00 0.00 C ATOM 1510 O ASP A 123 -0.122 -12.096 -10.896 1.00 0.00 O ATOM 1511 CB ASP A 123 -0.751 -14.899 -10.925 1.00 0.00 C ATOM 1512 CG ASP A 123 -0.487 -16.295 -10.401 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -1.453 -17.072 -10.245 1.00 0.00 O ATOM 1514 OD2 ASP A 123 0.693 -16.626 -10.158 1.00 0.00 O ATOM 0 H ASP A 123 -3.187 -14.670 -10.118 1.00 0.00 H new ATOM 0 HA ASP A 123 -0.598 -13.976 -8.963 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -1.496 -14.951 -11.719 1.00 0.00 H new ATOM 0 HB3 ASP A 123 0.163 -14.506 -11.370 1.00 0.00 H new ATOM 1519 N MET A 124 -2.263 -11.764 -10.322 1.00 0.00 N ATOM 1520 CA MET A 124 -2.293 -10.427 -10.917 1.00 0.00 C ATOM 1521 C MET A 124 -1.958 -9.358 -9.882 1.00 0.00 C ATOM 1522 O MET A 124 -2.250 -8.173 -10.073 1.00 0.00 O ATOM 1523 CB MET A 124 -3.652 -10.123 -11.566 1.00 0.00 C ATOM 1524 CG MET A 124 -4.780 -9.846 -10.581 1.00 0.00 C ATOM 1525 SD MET A 124 -6.286 -9.288 -11.402 1.00 0.00 S ATOM 1526 CE MET A 124 -7.388 -9.074 -10.008 1.00 0.00 C ATOM 0 H MET A 124 -3.127 -12.049 -9.861 1.00 0.00 H new ATOM 0 HA MET A 124 -1.533 -10.410 -11.698 1.00 0.00 H new ATOM 0 HB2 MET A 124 -3.541 -9.260 -12.222 1.00 0.00 H new ATOM 0 HB3 MET A 124 -3.936 -10.967 -12.195 1.00 0.00 H new ATOM 0 HG2 MET A 124 -4.993 -10.751 -10.013 1.00 0.00 H new ATOM 0 HG3 MET A 124 -4.457 -9.089 -9.866 1.00 0.00 H new ATOM 0 HE1 MET A 124 -7.986 -8.174 -10.152 1.00 0.00 H new ATOM 0 HE2 MET A 124 -8.047 -9.939 -9.929 1.00 0.00 H new ATOM 0 HE3 MET A 124 -6.803 -8.978 -9.093 1.00 0.00 H new ATOM 1536 N CYS A 125 -1.337 -9.770 -8.790 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.971 -8.836 -7.737 1.00 0.00 C ATOM 1538 C CYS A 125 0.256 -8.023 -8.112 1.00 0.00 C ATOM 1539 O CYS A 125 1.396 -8.461 -7.951 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.769 -9.544 -6.398 1.00 0.00 C ATOM 1541 SG CYS A 125 -2.302 -9.673 -5.428 1.00 0.00 S ATOM 0 H CYS A 125 -1.076 -10.739 -8.609 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.806 -8.144 -7.622 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.373 -10.544 -6.577 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -0.021 -9.005 -5.817 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.008 -6.840 -8.643 1.00 0.00 N ATOM 1547 CA HIS A 126 1.032 -5.880 -8.958 1.00 0.00 C ATOM 1548 C HIS A 126 1.546 -5.266 -7.665 1.00 0.00 C ATOM 1549 O HIS A 126 0.796 -5.148 -6.690 1.00 0.00 O ATOM 1550 CB HIS A 126 0.478 -4.771 -9.858 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.040 -5.235 -11.187 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -1.310 -5.751 -11.374 1.00 0.00 N ATOM 1553 CD2 HIS A 126 0.539 -5.226 -12.408 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -1.483 -6.036 -12.649 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -0.379 -5.725 -13.298 1.00 0.00 N ATOM 0 H HIS A 126 -0.950 -6.520 -8.867 1.00 0.00 H new ATOM 0 HA HIS A 126 1.841 -6.388 -9.482 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.327 -4.262 -9.328 1.00 0.00 H new ATOM 0 HB3 HIS A 126 1.264 -4.035 -10.028 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -2.004 -5.889 -10.640 1.00 0.00 H new ATOM 0 HD2 HIS A 126 1.538 -4.889 -12.640 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.377 -6.453 -13.087 1.00 0.00 H new ATOM 1563 N SER A 127 2.812 -4.886 -7.645 1.00 0.00 N ATOM 1564 CA SER A 127 3.385 -4.251 -6.474 1.00 0.00 C ATOM 1565 C SER A 127 2.869 -2.821 -6.369 1.00 0.00 C ATOM 1566 O SER A 127 3.203 -1.964 -7.198 1.00 0.00 O ATOM 1567 CB SER A 127 4.909 -4.257 -6.567 1.00 0.00 C ATOM 1568 OG SER A 127 5.391 -5.545 -6.922 1.00 0.00 O ATOM 0 H SER A 127 3.459 -5.006 -8.424 1.00 0.00 H new ATOM 0 HA SER A 127 3.090 -4.805 -5.583 1.00 0.00 H new ATOM 0 HB2 SER A 127 5.235 -3.526 -7.307 1.00 0.00 H new ATOM 0 HB3 SER A 127 5.337 -3.955 -5.611 1.00 0.00 H new ATOM 0 HG SER A 127 5.116 -6.196 -6.243 1.00 0.00 H new ATOM 1574 N LEU A 128 2.032 -2.578 -5.370 1.00 0.00 N ATOM 1575 CA LEU A 128 1.416 -1.274 -5.191 1.00 0.00 C ATOM 1576 C LEU A 128 2.477 -0.243 -4.827 1.00 0.00 C ATOM 1577 O LEU A 128 3.168 -0.369 -3.814 1.00 0.00 O ATOM 1578 CB LEU A 128 0.325 -1.349 -4.113 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.639 -0.157 -4.040 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.923 -0.567 -3.335 1.00 0.00 C ATOM 1581 CD2 LEU A 128 0.001 1.012 -3.310 1.00 0.00 C ATOM 0 H LEU A 128 1.764 -3.270 -4.670 1.00 0.00 H new ATOM 0 HA LEU A 128 0.948 -0.966 -6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.260 -2.253 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.809 -1.458 -3.143 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.872 0.157 -5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.601 0.286 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.398 -1.378 -3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -1.692 -0.903 -2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -0.701 1.845 -3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 128 0.262 0.709 -2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.902 1.322 -3.839 1.00 0.00 H new ATOM 1593 N GLY A 129 2.602 0.766 -5.671 1.00 0.00 N ATOM 1594 CA GLY A 129 3.587 1.800 -5.462 1.00 0.00 C ATOM 1595 C GLY A 129 2.958 3.091 -4.990 1.00 0.00 C ATOM 1596 O GLY A 129 1.844 3.434 -5.399 1.00 0.00 O ATOM 0 H GLY A 129 2.031 0.887 -6.507 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.318 1.462 -4.727 1.00 0.00 H new ATOM 0 HA3 GLY A 129 4.129 1.978 -6.391 1.00 0.00 H new ATOM 1600 N LEU A 130 3.667 3.800 -4.127 1.00 0.00 N ATOM 1601 CA LEU A 130 3.211 5.080 -3.623 1.00 0.00 C ATOM 1602 C LEU A 130 4.338 6.099 -3.728 1.00 0.00 C ATOM 1603 O LEU A 130 5.403 5.927 -3.131 1.00 0.00 O ATOM 1604 CB LEU A 130 2.750 4.945 -2.169 1.00 0.00 C ATOM 1605 CG LEU A 130 2.303 6.247 -1.495 1.00 0.00 C ATOM 1606 CD1 LEU A 130 1.119 6.860 -2.225 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.955 5.994 -0.037 1.00 0.00 C ATOM 0 H LEU A 130 4.571 3.504 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 130 2.365 5.419 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.924 4.235 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.565 4.516 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 130 3.131 6.955 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.822 7.783 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.400 7.079 -3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.284 6.159 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.639 6.927 0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.145 5.267 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.830 5.606 0.484 1.00 0.00 H new ATOM 1619 N THR A 131 4.112 7.142 -4.505 1.00 0.00 N ATOM 1620 CA THR A 131 5.107 8.183 -4.677 1.00 0.00 C ATOM 1621 C THR A 131 4.727 9.423 -3.877 1.00 0.00 C ATOM 1622 O THR A 131 3.882 10.210 -4.305 1.00 0.00 O ATOM 1623 CB THR A 131 5.261 8.568 -6.163 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.516 7.397 -6.948 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.390 9.572 -6.357 1.00 0.00 C ATOM 0 H THR A 131 3.248 7.290 -5.027 1.00 0.00 H new ATOM 0 HA THR A 131 6.057 7.790 -4.314 1.00 0.00 H new ATOM 0 HB THR A 131 4.330 9.031 -6.490 1.00 0.00 H new ATOM 0 HG1 THR A 131 4.827 7.310 -7.639 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.475 9.824 -7.414 1.00 0.00 H new ATOM 0 HG22 THR A 131 6.177 10.475 -5.784 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.328 9.136 -6.012 1.00 0.00 H new ATOM 1633 N CYS A 132 5.331 9.583 -2.712 1.00 0.00 N ATOM 1634 CA CYS A 132 5.108 10.772 -1.903 1.00 0.00 C ATOM 1635 C CYS A 132 6.056 11.882 -2.343 1.00 0.00 C ATOM 1636 O CYS A 132 7.109 11.606 -2.930 1.00 0.00 O ATOM 1637 CB CYS A 132 5.320 10.453 -0.419 1.00 0.00 C ATOM 1638 SG CYS A 132 4.309 9.066 0.199 1.00 0.00 S ATOM 0 H CYS A 132 5.978 8.908 -2.305 1.00 0.00 H new ATOM 0 HA CYS A 132 4.080 11.106 -2.042 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.373 10.222 -0.255 1.00 0.00 H new ATOM 0 HB3 CYS A 132 5.094 11.343 0.168 1.00 0.00 H new ATOM 1643 N LEU A 133 5.672 13.132 -2.100 1.00 0.00 N ATOM 1644 CA LEU A 133 6.542 14.259 -2.401 1.00 0.00 C ATOM 1645 C LEU A 133 7.797 14.200 -1.543 1.00 0.00 C ATOM 1646 O LEU A 133 7.768 14.518 -0.352 1.00 0.00 O ATOM 1647 CB LEU A 133 5.819 15.591 -2.190 1.00 0.00 C ATOM 1648 CG LEU A 133 4.940 16.051 -3.354 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.106 17.255 -2.947 1.00 0.00 C ATOM 1650 CD2 LEU A 133 5.795 16.393 -4.567 1.00 0.00 C ATOM 0 H LEU A 133 4.770 13.387 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 133 6.826 14.193 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.198 15.511 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.564 16.362 -1.992 1.00 0.00 H new ATOM 0 HG LEU A 133 4.269 15.234 -3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.487 17.569 -3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.467 16.987 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.765 18.073 -2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.152 16.718 -5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.488 17.194 -4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.357 15.512 -4.876 1.00 0.00 H new ATOM 1662 N GLU A 134 8.884 13.767 -2.162 1.00 0.00 N ATOM 1663 CA GLU A 134 10.159 13.620 -1.480 1.00 0.00 C ATOM 1664 C GLU A 134 10.698 14.986 -1.073 1.00 0.00 C ATOM 1665 O GLU A 134 10.911 15.836 -1.964 1.00 0.00 O ATOM 1666 CB GLU A 134 11.159 12.881 -2.380 1.00 0.00 C ATOM 1667 CG GLU A 134 12.539 12.719 -1.767 1.00 0.00 C ATOM 1668 CD GLU A 134 13.485 11.932 -2.648 1.00 0.00 C ATOM 1669 OE1 GLU A 134 13.834 12.423 -3.742 1.00 0.00 O ATOM 1670 OE2 GLU A 134 13.891 10.819 -2.249 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.910 15.204 0.135 1.00 0.00 O ATOM 0 H GLU A 134 8.907 13.508 -3.148 1.00 0.00 H new ATOM 0 HA GLU A 134 10.012 13.028 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 134 10.760 11.895 -2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 134 11.252 13.421 -3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.964 13.704 -1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 134 12.447 12.218 -0.803 1.00 0.00 H new