USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 923 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 13 HIS :FLIP no HE2:sc= -1.69 F(o=-3.9,f=-1.7) USER MOD Set 1.2: A 40 LYS NZ :NH3+ -114:sc= 0.292 (180deg=0) USER MOD Set 1.3: A 43 ASN : amide:sc= -0.0143 K(o=-1.7,f=-5.6!) USER MOD Set 1.4: A 117 GLN :FLIP amide:sc= -0.277 F(o=-2.4,f=-1.7) USER MOD Set 2.1: A 44 THR OG1 : rot 167:sc= 0.91 USER MOD Set 2.2: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 25 TYR OH : rot 27:sc= 0.275 USER MOD Set 3.2: A 47 HIS : no HE2:sc= -0.875! C(o=0.16!,f=-8.2!) USER MOD Set 3.3: A 79 THR OG1 : rot 91:sc= 0.764 USER MOD Set 4.1: A 17 LYS NZ :NH3+ -144:sc= 0.0168 (180deg=0) USER MOD Set 4.2: A 77 GLN : amide:sc= -0.209 K(o=-0.19,f=-1.1) USER MOD Set 5.1: A 52 SER OG : rot -91:sc= 0.83 USER MOD Set 5.2: A 61 ASN : amide:sc= 0.55 K(o=2,f=-1.2!) USER MOD Set 5.3: A 74 SER OG : rot 126:sc= 0.642 USER MOD Set 6.1: A 6 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 50 LYS NZ :NH3+ -179:sc= -0.0463 (180deg=-0.0485) USER MOD Set 7.1: A 4 SER OG : rot -95:sc= 0.213 USER MOD Set 7.2: A 8 HIS : no HD1:sc= -0.371 X(o=-0.16,f=-0.01) USER MOD Single : A 3 ASN : amide:sc=-0.00898 X(o=-0.009,f=0) USER MOD Single : A 7 THR OG1 : rot -15:sc= 1.02 USER MOD Single : A 11 THR OG1 : rot 62:sc= 1.07 USER MOD Single : A 12 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 14 TYR OH : rot -18:sc= 0.258 USER MOD Single : A 19 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.21) USER MOD Single : A 28 SER OG : rot 87:sc= 0.418 USER MOD Single : A 30 MET CE :methyl 177:sc= -0.451 (180deg=-0.473) USER MOD Single : A 36 THR OG1 : rot 39:sc= 1.14 USER MOD Single : A 37 SER OG : rot 52:sc= 0.0802 USER MOD Single : A 49 ASN : amide:sc= -0.0655 K(o=-0.066,f=-0.9) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.127 K(o=0.13,f=-2!) USER MOD Single : A 60 LYS NZ :NH3+ -172:sc= -0.004 (180deg=-0.1) USER MOD Single : A 63 ASN : amide:sc= -0.655 X(o=-0.66,f=-0.28) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.492 X(o=-0.49,f=-0.43) USER MOD Single : A 72 SER OG : rot 170:sc= 0.126 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 87:sc= 0.333 USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.2) USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.299 F(o=-1,f=-0.3) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 TYR OH : rot -6:sc= 0.546 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.3!) USER MOD Single : A 109 ASN : amide:sc= -0.242 X(o=-0.24,f=0.084) USER MOD Single : A 114 HIS :FLIP no HD1:sc= -0.857 F(o=-1.9!,f=-0.86) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 4.688 -4.515 2.122 1.00 0.00 N ATOM 33 CA ASN A 3 5.259 -4.819 3.397 1.00 0.00 C ATOM 34 C ASN A 3 5.200 -3.560 4.195 1.00 0.00 C ATOM 35 O ASN A 3 5.133 -3.589 5.422 1.00 0.00 O ATOM 36 CB ASN A 3 6.723 -5.289 3.289 1.00 0.00 C ATOM 37 CG ASN A 3 7.242 -5.732 4.648 1.00 0.00 C ATOM 38 OD1 ASN A 3 8.094 -5.072 5.258 1.00 0.00 O ATOM 39 ND2 ASN A 3 6.726 -6.902 5.108 1.00 0.00 N ATOM 0 HA ASN A 3 4.704 -5.635 3.860 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.795 -6.113 2.579 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.343 -4.480 2.902 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.039 -7.281 6.002 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.026 -7.401 4.560 1.00 0.00 H new ATOM 46 N SER A 4 5.239 -2.416 3.480 1.00 0.00 N ATOM 47 CA SER A 4 5.290 -1.123 4.091 1.00 0.00 C ATOM 48 C SER A 4 3.907 -0.572 4.271 1.00 0.00 C ATOM 49 O SER A 4 3.747 0.473 4.891 1.00 0.00 O ATOM 50 CB SER A 4 6.126 -0.130 3.263 1.00 0.00 C ATOM 51 OG SER A 4 6.445 1.026 4.023 1.00 0.00 O ATOM 0 H SER A 4 5.235 -2.391 2.460 1.00 0.00 H new ATOM 0 HA SER A 4 5.767 -1.248 5.063 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.044 -0.613 2.927 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.573 0.159 2.369 1.00 0.00 H new ATOM 0 HG SER A 4 5.789 1.730 3.839 1.00 0.00 H new ATOM 57 N ARG A 5 2.868 -1.254 3.739 1.00 0.00 N ATOM 58 CA ARG A 5 1.512 -0.788 3.866 1.00 0.00 C ATOM 59 C ARG A 5 1.026 -1.146 5.238 1.00 0.00 C ATOM 60 O ARG A 5 0.250 -0.407 5.845 1.00 0.00 O ATOM 61 CB ARG A 5 0.576 -1.377 2.789 1.00 0.00 C ATOM 62 CG ARG A 5 -0.748 -0.616 2.605 1.00 0.00 C ATOM 63 CD ARG A 5 -1.946 -1.205 3.362 1.00 0.00 C ATOM 64 NE ARG A 5 -3.096 -0.264 3.208 1.00 0.00 N ATOM 65 CZ ARG A 5 -3.322 0.759 4.086 1.00 0.00 C ATOM 66 NH1 ARG A 5 -2.511 0.954 5.167 1.00 0.00 N ATOM 67 NH2 ARG A 5 -4.380 1.598 3.880 1.00 0.00 N ATOM 0 H ARG A 5 2.966 -2.127 3.221 1.00 0.00 H new ATOM 0 HA ARG A 5 1.499 0.292 3.718 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.105 -1.394 1.836 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.352 -2.412 3.048 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.605 0.415 2.928 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.988 -0.587 1.542 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.202 -2.188 2.966 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.702 -1.340 4.416 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.734 -0.389 2.422 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.720 0.331 5.330 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.696 1.723 5.811 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.993 1.458 3.077 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.557 2.364 4.529 1.00 0.00 H new ATOM 81 N TYR A 6 1.510 -2.297 5.749 1.00 0.00 N ATOM 82 CA TYR A 6 1.292 -2.756 7.075 1.00 0.00 C ATOM 83 C TYR A 6 1.934 -1.815 8.023 1.00 0.00 C ATOM 84 O TYR A 6 1.270 -1.407 8.963 1.00 0.00 O ATOM 85 CB TYR A 6 1.922 -4.138 7.143 1.00 0.00 C ATOM 86 CG TYR A 6 2.467 -4.571 8.455 1.00 0.00 C ATOM 87 CD1 TYR A 6 1.794 -4.560 9.660 1.00 0.00 C ATOM 88 CD2 TYR A 6 3.680 -5.200 8.377 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.286 -5.249 10.740 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.162 -5.925 9.442 1.00 0.00 C ATOM 91 CZ TYR A 6 3.473 -5.942 10.637 1.00 0.00 C ATOM 92 OH TYR A 6 3.961 -6.675 11.736 1.00 0.00 O ATOM 0 H TYR A 6 2.084 -2.936 5.199 1.00 0.00 H new ATOM 0 HA TYR A 6 0.236 -2.808 7.338 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.173 -4.866 6.831 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.729 -4.178 6.412 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.873 -4.005 9.754 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.264 -5.126 7.471 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.742 -5.248 11.673 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.082 -6.482 9.342 1.00 0.00 H new ATOM 0 HH TYR A 6 4.808 -7.104 11.493 1.00 0.00 H new ATOM 102 N THR A 7 3.218 -1.450 7.835 1.00 0.00 N ATOM 103 CA THR A 7 3.834 -0.518 8.743 1.00 0.00 C ATOM 104 C THR A 7 3.655 0.951 8.378 1.00 0.00 C ATOM 105 O THR A 7 4.218 1.829 9.020 1.00 0.00 O ATOM 106 CB THR A 7 5.176 -0.998 9.270 1.00 0.00 C ATOM 107 OG1 THR A 7 5.928 -0.009 9.957 1.00 0.00 O ATOM 108 CG2 THR A 7 6.022 -1.648 8.171 1.00 0.00 C ATOM 0 H THR A 7 3.817 -1.785 7.080 1.00 0.00 H new ATOM 0 HA THR A 7 3.243 -0.519 9.659 1.00 0.00 H new ATOM 0 HB THR A 7 4.921 -1.752 10.014 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.555 0.877 9.766 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.973 -1.977 8.590 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.490 -2.507 7.762 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.207 -0.924 7.378 1.00 0.00 H new ATOM 116 N HIS A 8 2.777 1.284 7.401 1.00 0.00 N ATOM 117 CA HIS A 8 2.196 2.607 7.313 1.00 0.00 C ATOM 118 C HIS A 8 1.067 2.678 8.293 1.00 0.00 C ATOM 119 O HIS A 8 0.897 3.681 8.995 1.00 0.00 O ATOM 120 CB HIS A 8 1.604 2.963 5.939 1.00 0.00 C ATOM 121 CG HIS A 8 2.651 3.200 4.897 1.00 0.00 C ATOM 122 ND1 HIS A 8 2.345 3.296 3.567 1.00 0.00 N ATOM 123 CD2 HIS A 8 3.983 3.408 5.017 1.00 0.00 C ATOM 124 CE1 HIS A 8 3.463 3.549 2.899 1.00 0.00 C ATOM 125 NE2 HIS A 8 4.472 3.623 3.757 1.00 0.00 N ATOM 0 H HIS A 8 2.468 0.641 6.672 1.00 0.00 H new ATOM 0 HA HIS A 8 3.009 3.306 7.509 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.949 2.156 5.611 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.986 3.856 6.036 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.553 3.405 5.934 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.539 3.674 1.829 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.446 3.809 3.518 1.00 0.00 H new ATOM 134 N PHE A 9 0.298 1.565 8.355 1.00 0.00 N ATOM 135 CA PHE A 9 -0.701 1.302 9.361 1.00 0.00 C ATOM 136 C PHE A 9 -0.063 1.334 10.728 1.00 0.00 C ATOM 137 O PHE A 9 -0.658 1.879 11.647 1.00 0.00 O ATOM 138 CB PHE A 9 -1.508 -0.004 9.080 1.00 0.00 C ATOM 139 CG PHE A 9 -1.978 -0.747 10.300 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.945 -0.193 11.120 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.530 -2.034 10.578 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.356 -0.844 12.262 1.00 0.00 C ATOM 143 CE2 PHE A 9 -2.051 -2.745 11.641 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.919 -2.128 12.517 1.00 0.00 C ATOM 0 H PHE A 9 0.376 0.812 7.671 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.449 2.094 9.326 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.377 0.250 8.473 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.887 -0.673 8.484 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.382 0.760 10.862 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.768 -2.481 9.957 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.019 -0.350 12.957 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.780 -3.780 11.786 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.256 -2.649 13.401 1.00 0.00 H new ATOM 154 N LEU A 10 1.157 0.784 10.900 1.00 0.00 N ATOM 155 CA LEU A 10 1.855 0.819 12.158 1.00 0.00 C ATOM 156 C LEU A 10 2.615 2.087 12.416 1.00 0.00 C ATOM 157 O LEU A 10 2.972 2.320 13.565 1.00 0.00 O ATOM 158 CB LEU A 10 2.826 -0.349 12.347 1.00 0.00 C ATOM 159 CG LEU A 10 2.156 -1.732 12.258 1.00 0.00 C ATOM 160 CD1 LEU A 10 3.095 -2.790 12.810 1.00 0.00 C ATOM 161 CD2 LEU A 10 0.848 -1.909 13.030 1.00 0.00 C ATOM 0 H LEU A 10 1.668 0.308 10.157 1.00 0.00 H new ATOM 0 HA LEU A 10 1.040 0.747 12.878 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.609 -0.285 11.591 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.312 -0.252 13.318 1.00 0.00 H new ATOM 0 HG LEU A 10 1.929 -1.831 11.197 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.619 -3.768 12.746 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.017 -2.797 12.229 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.324 -2.565 13.852 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.476 -2.924 12.888 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.025 -1.733 14.091 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.109 -1.197 12.662 1.00 0.00 H new ATOM 173 N THR A 11 2.878 2.947 11.405 1.00 0.00 N ATOM 174 CA THR A 11 3.404 4.268 11.681 1.00 0.00 C ATOM 175 C THR A 11 2.378 5.061 12.419 1.00 0.00 C ATOM 176 O THR A 11 2.674 5.695 13.431 1.00 0.00 O ATOM 177 CB THR A 11 3.875 5.047 10.466 1.00 0.00 C ATOM 178 OG1 THR A 11 4.990 4.386 9.891 1.00 0.00 O ATOM 179 CG2 THR A 11 4.323 6.478 10.828 1.00 0.00 C ATOM 0 H THR A 11 2.732 2.740 10.417 1.00 0.00 H new ATOM 0 HA THR A 11 4.300 4.108 12.281 1.00 0.00 H new ATOM 0 HB THR A 11 3.034 5.104 9.775 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.721 3.493 9.589 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.651 6.996 9.927 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.488 7.019 11.273 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.147 6.432 11.540 1.00 0.00 H new ATOM 187 N GLN A 12 1.143 5.031 11.910 1.00 0.00 N ATOM 188 CA GLN A 12 0.068 5.800 12.395 1.00 0.00 C ATOM 189 C GLN A 12 -0.500 5.207 13.648 1.00 0.00 C ATOM 190 O GLN A 12 -0.840 5.955 14.560 1.00 0.00 O ATOM 191 CB GLN A 12 -0.887 5.836 11.193 1.00 0.00 C ATOM 192 CG GLN A 12 -2.351 6.036 11.507 1.00 0.00 C ATOM 193 CD GLN A 12 -3.115 6.076 10.188 1.00 0.00 C ATOM 194 OE1 GLN A 12 -3.528 7.314 9.783 1.00 0.00 O flip ATOM 195 NE2 GLN A 12 -3.329 5.041 9.546 1.00 0.00 N flip ATOM 0 H GLN A 12 0.888 4.438 11.120 1.00 0.00 H new ATOM 0 HA GLN A 12 0.329 6.809 12.714 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.568 6.637 10.526 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.780 4.901 10.643 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.720 5.226 12.136 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.499 6.963 12.061 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.996 4.144 9.899 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.839 5.084 8.664 1.00 0.00 H new ATOM 204 N HIS A 13 -0.624 3.869 13.726 1.00 0.00 N ATOM 205 CA HIS A 13 -1.264 3.252 14.849 1.00 0.00 C ATOM 206 C HIS A 13 -0.247 2.817 15.853 1.00 0.00 C ATOM 207 O HIS A 13 -0.359 3.187 17.015 1.00 0.00 O ATOM 208 CB HIS A 13 -2.161 2.058 14.479 1.00 0.00 C ATOM 209 CG HIS A 13 -3.342 2.499 13.659 1.00 0.00 C ATOM 210 ND1 HIS A 13 -3.423 2.870 12.361 1.00 0.00 N flip ATOM 211 CD2 HIS A 13 -4.564 2.746 14.220 1.00 0.00 C flip ATOM 212 CE1 HIS A 13 -4.696 3.327 12.148 1.00 0.00 C flip ATOM 213 NE2 HIS A 13 -5.361 3.254 13.291 1.00 0.00 N flip ATOM 0 H HIS A 13 -0.284 3.218 13.018 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.917 4.015 15.272 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.581 1.323 13.920 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.509 1.566 15.387 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -2.675 2.819 11.669 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.835 2.558 15.249 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.090 3.686 11.209 1.00 0.00 H new ATOM 222 N TYR A 14 0.755 2.007 15.461 1.00 0.00 N ATOM 223 CA TYR A 14 1.567 1.332 16.436 1.00 0.00 C ATOM 224 C TYR A 14 2.569 2.278 17.026 1.00 0.00 C ATOM 225 O TYR A 14 3.424 2.834 16.338 1.00 0.00 O ATOM 226 CB TYR A 14 2.277 0.124 15.844 1.00 0.00 C ATOM 227 CG TYR A 14 3.042 -0.656 16.839 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.449 -1.279 17.920 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.386 -0.820 16.606 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.224 -2.002 18.803 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.160 -1.536 17.483 1.00 0.00 C ATOM 232 CZ TYR A 14 4.586 -2.105 18.598 1.00 0.00 C ATOM 233 OH TYR A 14 5.401 -2.786 19.521 1.00 0.00 O ATOM 0 H TYR A 14 1.002 1.820 14.489 1.00 0.00 H new ATOM 0 HA TYR A 14 0.902 0.974 17.222 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.540 -0.526 15.373 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.954 0.459 15.058 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.383 -1.200 18.073 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.836 -0.382 15.727 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.767 -2.487 19.653 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.218 -1.653 17.300 1.00 0.00 H new ATOM 0 HH TYR A 14 4.925 -2.876 20.373 1.00 0.00 H new ATOM 243 N ASP A 15 2.456 2.466 18.349 1.00 0.00 N ATOM 244 CA ASP A 15 3.341 3.279 19.109 1.00 0.00 C ATOM 245 C ASP A 15 3.545 2.391 20.277 1.00 0.00 C ATOM 246 O ASP A 15 2.692 2.328 21.154 1.00 0.00 O ATOM 247 CB ASP A 15 2.734 4.622 19.561 1.00 0.00 C ATOM 248 CG ASP A 15 3.740 5.302 20.481 1.00 0.00 C ATOM 249 OD1 ASP A 15 4.872 5.595 20.013 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.386 5.542 21.666 1.00 0.00 O ATOM 0 H ASP A 15 1.720 2.035 18.909 1.00 0.00 H new ATOM 0 HA ASP A 15 4.230 3.582 18.555 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.518 5.253 18.699 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.790 4.459 20.081 1.00 0.00 H new ATOM 255 N ALA A 16 4.674 1.653 20.246 1.00 0.00 N ATOM 256 CA ALA A 16 4.999 0.506 21.064 1.00 0.00 C ATOM 257 C ALA A 16 4.706 0.587 22.525 1.00 0.00 C ATOM 258 O ALA A 16 4.215 -0.380 23.105 1.00 0.00 O ATOM 259 CB ALA A 16 6.456 0.062 20.909 1.00 0.00 C ATOM 0 H ALA A 16 5.427 1.874 19.594 1.00 0.00 H new ATOM 0 HA ALA A 16 4.303 -0.226 20.654 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.643 -0.802 21.546 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.646 -0.205 19.870 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.118 0.877 21.201 1.00 0.00 H new ATOM 265 N LYS A 17 4.978 1.740 23.155 1.00 0.00 N ATOM 266 CA LYS A 17 4.417 1.977 24.450 1.00 0.00 C ATOM 267 C LYS A 17 4.393 3.472 24.603 1.00 0.00 C ATOM 268 O LYS A 17 5.361 4.112 24.192 1.00 0.00 O ATOM 269 CB LYS A 17 5.244 1.362 25.608 1.00 0.00 C ATOM 270 CG LYS A 17 4.453 1.118 26.906 1.00 0.00 C ATOM 271 CD LYS A 17 3.380 0.023 26.770 1.00 0.00 C ATOM 272 CE LYS A 17 2.514 -0.128 28.024 1.00 0.00 C ATOM 273 NZ LYS A 17 1.469 -1.150 27.798 1.00 0.00 N ATOM 0 H LYS A 17 5.566 2.488 22.786 1.00 0.00 H new ATOM 0 HA LYS A 17 3.434 1.510 24.511 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.665 0.414 25.272 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.082 2.023 25.828 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.147 0.840 27.699 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.975 2.049 27.212 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.739 0.254 25.919 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.866 -0.929 26.554 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.136 -0.413 28.873 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.052 0.827 28.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.594 -0.865 28.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.286 -1.239 26.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.791 -2.065 28.173 1.00 0.00 H new ATOM 287 N PRO A 18 3.350 4.074 25.161 1.00 0.00 N ATOM 288 CA PRO A 18 3.193 5.503 25.132 1.00 0.00 C ATOM 289 C PRO A 18 3.946 6.091 26.284 1.00 0.00 C ATOM 290 O PRO A 18 4.407 5.356 27.160 1.00 0.00 O ATOM 291 CB PRO A 18 1.686 5.716 25.323 1.00 0.00 C ATOM 292 CG PRO A 18 1.198 4.448 26.011 1.00 0.00 C ATOM 293 CD PRO A 18 2.068 3.424 25.317 1.00 0.00 C ATOM 0 HA PRO A 18 3.563 5.965 24.217 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.485 6.598 25.931 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.183 5.866 24.367 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.359 4.470 27.089 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.135 4.269 25.851 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.156 2.513 25.909 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.649 3.138 24.352 1.00 0.00 H new ATOM 301 N GLN A 19 4.052 7.437 26.284 1.00 0.00 N ATOM 302 CA GLN A 19 4.667 8.202 27.324 1.00 0.00 C ATOM 303 C GLN A 19 3.748 8.197 28.503 1.00 0.00 C ATOM 304 O GLN A 19 3.935 7.426 29.446 1.00 0.00 O ATOM 305 CB GLN A 19 4.921 9.655 26.868 1.00 0.00 C ATOM 306 CG GLN A 19 5.931 9.769 25.715 1.00 0.00 C ATOM 307 CD GLN A 19 7.281 9.199 26.153 1.00 0.00 C ATOM 308 OE1 GLN A 19 7.727 8.165 25.642 1.00 0.00 O ATOM 309 NE2 GLN A 19 7.939 9.907 27.121 1.00 0.00 N ATOM 0 H GLN A 19 3.692 8.014 25.524 1.00 0.00 H new ATOM 0 HA GLN A 19 5.630 7.761 27.580 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.976 10.100 26.558 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.283 10.235 27.716 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.563 9.229 24.842 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.044 10.812 25.420 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.521 10.754 27.506 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.847 9.588 27.458 1.00 0.00 H new ATOM 318 N GLY A 20 2.719 9.057 28.445 1.00 0.00 N ATOM 319 CA GLY A 20 1.587 8.972 29.320 1.00 0.00 C ATOM 320 C GLY A 20 0.481 8.588 28.417 1.00 0.00 C ATOM 321 O GLY A 20 0.689 8.382 27.226 1.00 0.00 O ATOM 0 H GLY A 20 2.669 9.828 27.779 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.741 8.231 30.104 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.390 9.923 29.815 1.00 0.00 H new ATOM 325 N ARG A 21 -0.733 8.496 28.974 1.00 0.00 N ATOM 326 CA ARG A 21 -1.895 8.180 28.192 1.00 0.00 C ATOM 327 C ARG A 21 -2.877 9.252 28.503 1.00 0.00 C ATOM 328 O ARG A 21 -3.875 9.033 29.188 1.00 0.00 O ATOM 329 CB ARG A 21 -2.480 6.783 28.480 1.00 0.00 C ATOM 330 CG ARG A 21 -1.616 5.671 27.861 1.00 0.00 C ATOM 331 CD ARG A 21 -2.134 4.243 28.060 1.00 0.00 C ATOM 332 NE ARG A 21 -1.574 3.702 29.336 1.00 0.00 N ATOM 333 CZ ARG A 21 -2.320 3.512 30.466 1.00 0.00 C ATOM 334 NH1 ARG A 21 -3.634 3.870 30.516 1.00 0.00 N ATOM 335 NH2 ARG A 21 -1.733 2.951 31.565 1.00 0.00 N ATOM 0 H ARG A 21 -0.918 8.639 29.967 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.636 8.141 27.134 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.552 6.632 29.557 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.493 6.722 28.082 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.524 5.860 26.791 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.613 5.737 28.283 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.223 4.238 28.094 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.838 3.614 27.221 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.583 3.462 29.365 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.080 4.289 29.700 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.172 3.719 31.370 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.750 2.680 31.536 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.278 2.803 32.415 1.00 0.00 H new ATOM 349 N ASP A 22 -2.571 10.464 27.997 1.00 0.00 N ATOM 350 CA ASP A 22 -3.329 11.638 28.300 1.00 0.00 C ATOM 351 C ASP A 22 -3.280 12.506 27.089 1.00 0.00 C ATOM 352 O ASP A 22 -2.686 12.133 26.079 1.00 0.00 O ATOM 353 CB ASP A 22 -2.814 12.410 29.535 1.00 0.00 C ATOM 354 CG ASP A 22 -1.412 12.980 29.318 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.451 12.190 29.119 1.00 0.00 O ATOM 356 OD2 ASP A 22 -1.286 14.232 29.376 1.00 0.00 O ATOM 0 H ASP A 22 -1.785 10.629 27.368 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.346 11.342 28.555 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.503 13.223 29.766 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.804 11.745 30.399 1.00 0.00 H new ATOM 361 N ASP A 23 -3.924 13.690 27.186 1.00 0.00 N ATOM 362 CA ASP A 23 -4.155 14.592 26.089 1.00 0.00 C ATOM 363 C ASP A 23 -2.902 15.195 25.528 1.00 0.00 C ATOM 364 O ASP A 23 -2.872 15.557 24.355 1.00 0.00 O ATOM 365 CB ASP A 23 -5.129 15.742 26.441 1.00 0.00 C ATOM 366 CG ASP A 23 -4.560 16.673 27.509 1.00 0.00 C ATOM 367 OD1 ASP A 23 -4.368 16.225 28.671 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.327 17.866 27.171 1.00 0.00 O ATOM 0 H ASP A 23 -4.301 14.035 28.069 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.607 13.953 25.330 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.351 16.316 25.541 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.072 15.323 26.792 1.00 0.00 H new ATOM 373 N ARG A 24 -1.837 15.304 26.351 1.00 0.00 N ATOM 374 CA ARG A 24 -0.591 15.873 25.930 1.00 0.00 C ATOM 375 C ARG A 24 0.212 14.858 25.185 1.00 0.00 C ATOM 376 O ARG A 24 1.016 15.229 24.330 1.00 0.00 O ATOM 377 CB ARG A 24 0.278 16.380 27.097 1.00 0.00 C ATOM 378 CG ARG A 24 -0.429 17.401 28.001 1.00 0.00 C ATOM 379 CD ARG A 24 -0.854 18.680 27.274 1.00 0.00 C ATOM 380 NE ARG A 24 -1.512 19.569 28.273 1.00 0.00 N ATOM 381 CZ ARG A 24 -2.153 20.707 27.874 1.00 0.00 C ATOM 382 NH1 ARG A 24 -2.191 21.050 26.554 1.00 0.00 N ATOM 383 NH2 ARG A 24 -2.761 21.503 28.802 1.00 0.00 N ATOM 0 H ARG A 24 -1.843 14.992 27.322 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.855 16.724 25.302 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.590 15.528 27.702 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.184 16.833 26.693 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.310 16.934 28.441 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.235 17.665 28.824 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.011 19.175 26.832 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.539 18.447 26.459 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.483 19.325 29.263 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.739 20.455 25.859 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.671 21.901 26.262 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.735 21.247 29.789 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.241 22.354 28.508 1.00 0.00 H new ATOM 397 N TYR A 25 -0.006 13.554 25.487 1.00 0.00 N ATOM 398 CA TYR A 25 0.674 12.488 24.804 1.00 0.00 C ATOM 399 C TYR A 25 0.096 12.417 23.440 1.00 0.00 C ATOM 400 O TYR A 25 0.846 12.251 22.480 1.00 0.00 O ATOM 401 CB TYR A 25 0.543 11.102 25.490 1.00 0.00 C ATOM 402 CG TYR A 25 0.591 9.949 24.516 1.00 0.00 C ATOM 403 CD1 TYR A 25 1.762 9.558 23.877 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.570 9.227 24.270 1.00 0.00 C ATOM 405 CE1 TYR A 25 1.748 8.526 22.961 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.582 8.195 23.356 1.00 0.00 C ATOM 407 CZ TYR A 25 0.576 7.854 22.691 1.00 0.00 C ATOM 408 OH TYR A 25 0.562 6.809 21.746 1.00 0.00 O ATOM 0 H TYR A 25 -0.656 13.241 26.208 1.00 0.00 H new ATOM 0 HA TYR A 25 1.741 12.712 24.807 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.345 10.987 26.219 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.396 11.064 26.042 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.689 10.065 24.099 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.476 9.478 24.802 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.659 8.244 22.454 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.497 7.655 23.162 1.00 0.00 H new ATOM 0 HH TYR A 25 1.452 6.401 21.696 1.00 0.00 H new ATOM 418 N CYS A 26 -1.245 12.530 23.328 1.00 0.00 N ATOM 419 CA CYS A 26 -1.860 12.256 22.074 1.00 0.00 C ATOM 420 C CYS A 26 -1.790 13.402 21.116 1.00 0.00 C ATOM 421 O CYS A 26 -1.808 13.193 19.906 1.00 0.00 O ATOM 422 CB CYS A 26 -3.254 11.656 22.138 1.00 0.00 C ATOM 423 SG CYS A 26 -3.245 10.307 20.935 1.00 0.00 S ATOM 0 H CYS A 26 -1.878 12.801 24.080 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.237 11.456 21.673 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.479 11.289 23.139 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.014 12.398 21.892 1.00 0.00 H new ATOM 428 N GLU A 27 -1.668 14.640 21.640 1.00 0.00 N ATOM 429 CA GLU A 27 -1.426 15.788 20.811 1.00 0.00 C ATOM 430 C GLU A 27 -0.016 15.782 20.307 1.00 0.00 C ATOM 431 O GLU A 27 0.212 16.174 19.163 1.00 0.00 O ATOM 432 CB GLU A 27 -1.702 17.127 21.514 1.00 0.00 C ATOM 433 CG GLU A 27 -3.204 17.392 21.676 1.00 0.00 C ATOM 434 CD GLU A 27 -3.395 18.636 22.530 1.00 0.00 C ATOM 435 OE1 GLU A 27 -2.924 19.725 22.108 1.00 0.00 O ATOM 436 OE2 GLU A 27 -4.020 18.513 23.617 1.00 0.00 O ATOM 0 H GLU A 27 -1.737 14.846 22.637 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.130 15.707 19.983 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.226 17.126 22.495 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.251 17.937 20.941 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.670 17.529 20.700 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.690 16.535 22.144 1.00 0.00 H new ATOM 443 N SER A 28 0.957 15.329 21.137 1.00 0.00 N ATOM 444 CA SER A 28 2.327 15.257 20.722 1.00 0.00 C ATOM 445 C SER A 28 2.589 14.202 19.691 1.00 0.00 C ATOM 446 O SER A 28 3.441 14.408 18.833 1.00 0.00 O ATOM 447 CB SER A 28 3.282 14.993 21.889 1.00 0.00 C ATOM 448 OG SER A 28 3.345 16.132 22.735 1.00 0.00 O ATOM 0 H SER A 28 0.789 15.015 22.093 1.00 0.00 H new ATOM 0 HA SER A 28 2.514 16.240 20.289 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.944 14.127 22.457 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.276 14.757 21.509 1.00 0.00 H new ATOM 0 HG SER A 28 2.630 16.083 23.404 1.00 0.00 H new ATOM 454 N ILE A 29 1.874 13.059 19.749 1.00 0.00 N ATOM 455 CA ILE A 29 2.119 11.975 18.830 1.00 0.00 C ATOM 456 C ILE A 29 1.359 12.182 17.558 1.00 0.00 C ATOM 457 O ILE A 29 1.775 11.685 16.515 1.00 0.00 O ATOM 458 CB ILE A 29 1.940 10.570 19.392 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.502 9.504 18.436 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.471 10.283 19.730 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.674 8.145 19.087 1.00 0.00 C ATOM 0 H ILE A 29 1.131 12.882 20.425 1.00 0.00 H new ATOM 0 HA ILE A 29 3.188 12.018 18.620 1.00 0.00 H new ATOM 0 HB ILE A 29 2.511 10.519 20.319 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.835 9.407 17.579 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.466 9.841 18.054 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.380 9.272 20.128 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.122 10.999 20.474 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.134 10.373 18.828 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.074 7.440 18.358 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.364 8.229 19.927 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.708 7.788 19.445 1.00 0.00 H new ATOM 473 N MET A 30 0.244 12.944 17.588 1.00 0.00 N ATOM 474 CA MET A 30 -0.400 13.277 16.349 1.00 0.00 C ATOM 475 C MET A 30 0.392 14.302 15.604 1.00 0.00 C ATOM 476 O MET A 30 0.378 14.302 14.375 1.00 0.00 O ATOM 477 CB MET A 30 -1.832 13.808 16.462 1.00 0.00 C ATOM 478 CG MET A 30 -2.884 12.728 16.168 1.00 0.00 C ATOM 479 SD MET A 30 -3.588 11.897 17.607 1.00 0.00 S ATOM 480 CE MET A 30 -4.810 11.040 16.577 1.00 0.00 C ATOM 0 H MET A 30 -0.196 13.315 18.430 1.00 0.00 H new ATOM 0 HA MET A 30 -0.452 12.322 15.826 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.992 14.203 17.465 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.964 14.638 15.768 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.697 13.185 15.603 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.432 11.974 15.523 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.402 10.368 17.198 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.466 11.772 16.106 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.297 10.464 15.807 1.00 0.00 H new ATOM 490 N ARG A 31 1.105 15.192 16.328 1.00 0.00 N ATOM 491 CA ARG A 31 1.918 16.193 15.698 1.00 0.00 C ATOM 492 C ARG A 31 3.176 15.612 15.106 1.00 0.00 C ATOM 493 O ARG A 31 3.616 16.062 14.048 1.00 0.00 O ATOM 494 CB ARG A 31 2.262 17.351 16.650 1.00 0.00 C ATOM 495 CG ARG A 31 2.640 18.647 15.922 1.00 0.00 C ATOM 496 CD ARG A 31 2.586 19.868 16.839 1.00 0.00 C ATOM 497 NE ARG A 31 2.770 21.080 15.989 1.00 0.00 N ATOM 498 CZ ARG A 31 2.452 22.321 16.461 1.00 0.00 C ATOM 499 NH1 ARG A 31 2.006 22.482 17.741 1.00 0.00 N ATOM 500 NH2 ARG A 31 2.578 23.409 15.645 1.00 0.00 N ATOM 0 H ARG A 31 1.118 15.218 17.348 1.00 0.00 H new ATOM 0 HA ARG A 31 1.316 16.597 14.884 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.408 17.544 17.299 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.089 17.050 17.293 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.645 18.549 15.510 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.964 18.798 15.080 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.632 19.910 17.364 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.366 19.811 17.598 1.00 0.00 H new ATOM 0 HE ARG A 31 3.138 20.980 15.043 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.908 21.672 18.353 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.771 23.413 18.086 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.909 23.293 14.687 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.342 24.338 15.994 1.00 0.00 H new ATOM 514 N ARG A 32 3.784 14.606 15.776 1.00 0.00 N ATOM 515 CA ARG A 32 5.037 14.043 15.346 1.00 0.00 C ATOM 516 C ARG A 32 4.862 13.033 14.254 1.00 0.00 C ATOM 517 O ARG A 32 5.659 13.018 13.316 1.00 0.00 O ATOM 518 CB ARG A 32 5.820 13.342 16.471 1.00 0.00 C ATOM 519 CG ARG A 32 6.465 14.304 17.486 1.00 0.00 C ATOM 520 CD ARG A 32 7.576 15.201 16.919 1.00 0.00 C ATOM 521 NE ARG A 32 8.658 14.345 16.339 1.00 0.00 N ATOM 522 CZ ARG A 32 9.717 13.900 17.079 1.00 0.00 C ATOM 523 NH1 ARG A 32 9.832 14.214 18.402 1.00 0.00 N ATOM 524 NH2 ARG A 32 10.672 13.125 16.484 1.00 0.00 N ATOM 0 H ARG A 32 3.404 14.180 16.621 1.00 0.00 H new ATOM 0 HA ARG A 32 5.598 14.909 14.994 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.147 12.669 17.002 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.600 12.725 16.025 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.686 14.939 17.907 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.877 13.718 18.308 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.170 15.862 16.153 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.982 15.837 17.706 1.00 0.00 H new ATOM 0 HE ARG A 32 8.603 14.084 15.354 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.121 14.789 18.853 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.629 13.873 18.940 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.590 12.884 15.496 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.467 12.788 17.027 1.00 0.00 H new ATOM 538 N ARG A 33 3.836 12.153 14.353 1.00 0.00 N ATOM 539 CA ARG A 33 3.629 11.105 13.383 1.00 0.00 C ATOM 540 C ARG A 33 3.000 11.627 12.117 1.00 0.00 C ATOM 541 O ARG A 33 3.134 10.999 11.068 1.00 0.00 O ATOM 542 CB ARG A 33 2.776 9.931 13.908 1.00 0.00 C ATOM 543 CG ARG A 33 3.423 9.128 15.044 1.00 0.00 C ATOM 544 CD ARG A 33 4.611 8.258 14.640 1.00 0.00 C ATOM 545 NE ARG A 33 4.908 7.401 15.827 1.00 0.00 N ATOM 546 CZ ARG A 33 5.467 6.160 15.703 1.00 0.00 C ATOM 547 NH1 ARG A 33 5.840 5.680 14.482 1.00 0.00 N ATOM 548 NH2 ARG A 33 5.654 5.392 16.817 1.00 0.00 N ATOM 0 H ARG A 33 3.148 12.167 15.106 1.00 0.00 H new ATOM 0 HA ARG A 33 4.630 10.727 13.174 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.820 10.321 14.256 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.562 9.256 13.080 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.751 9.824 15.817 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.663 8.489 15.492 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.372 7.649 13.768 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.472 8.871 14.374 1.00 0.00 H new ATOM 0 HE ARG A 33 4.687 7.753 16.759 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.703 6.249 13.647 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.256 4.752 14.404 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.377 5.746 17.733 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.071 4.465 16.733 1.00 0.00 H new ATOM 562 N GLY A 34 2.329 12.799 12.178 1.00 0.00 N ATOM 563 CA GLY A 34 1.944 13.520 10.992 1.00 0.00 C ATOM 564 C GLY A 34 0.538 13.195 10.605 1.00 0.00 C ATOM 565 O GLY A 34 0.254 12.872 9.454 1.00 0.00 O ATOM 0 H GLY A 34 2.052 13.249 13.050 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.039 14.592 11.166 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.618 13.269 10.173 1.00 0.00 H new ATOM 569 N LEU A 35 -0.373 13.303 11.590 1.00 0.00 N ATOM 570 CA LEU A 35 -1.783 13.097 11.412 1.00 0.00 C ATOM 571 C LEU A 35 -2.466 14.407 11.492 1.00 0.00 C ATOM 572 O LEU A 35 -3.641 14.541 11.153 1.00 0.00 O ATOM 573 CB LEU A 35 -2.420 12.425 12.619 1.00 0.00 C ATOM 574 CG LEU A 35 -2.167 10.921 12.789 1.00 0.00 C ATOM 575 CD1 LEU A 35 -2.648 10.150 11.556 1.00 0.00 C ATOM 576 CD2 LEU A 35 -0.732 10.523 13.174 1.00 0.00 C ATOM 0 H LEU A 35 -0.120 13.543 12.549 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.880 12.535 10.483 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.066 12.932 13.516 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.497 12.584 12.567 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.760 10.636 13.658 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.460 9.086 11.696 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.717 10.314 11.418 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.110 10.501 10.675 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.668 9.439 13.267 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.041 10.863 12.403 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.469 10.985 14.126 1.00 0.00 H new ATOM 588 N THR A 36 -1.711 15.388 12.003 1.00 0.00 N ATOM 589 CA THR A 36 -2.192 16.646 12.510 1.00 0.00 C ATOM 590 C THR A 36 -2.607 17.592 11.418 1.00 0.00 C ATOM 591 O THR A 36 -3.311 18.567 11.673 1.00 0.00 O ATOM 592 CB THR A 36 -1.129 17.313 13.371 1.00 0.00 C ATOM 593 OG1 THR A 36 -1.589 18.525 13.950 1.00 0.00 O ATOM 594 CG2 THR A 36 0.170 17.585 12.578 1.00 0.00 C ATOM 0 H THR A 36 -0.697 15.305 12.070 1.00 0.00 H new ATOM 0 HA THR A 36 -3.075 16.420 13.108 1.00 0.00 H new ATOM 0 HB THR A 36 -0.911 16.607 14.172 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.524 18.422 14.224 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.902 18.062 13.230 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.574 16.643 12.207 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.048 18.242 11.736 1.00 0.00 H new ATOM 602 N SER A 37 -2.200 17.310 10.166 1.00 0.00 N ATOM 603 CA SER A 37 -2.507 18.137 9.043 1.00 0.00 C ATOM 604 C SER A 37 -3.250 17.306 8.031 1.00 0.00 C ATOM 605 O SER A 37 -2.621 16.474 7.379 1.00 0.00 O ATOM 606 CB SER A 37 -1.211 18.639 8.395 1.00 0.00 C ATOM 607 OG SER A 37 -0.192 17.651 8.484 1.00 0.00 O ATOM 0 H SER A 37 -1.645 16.487 9.931 1.00 0.00 H new ATOM 0 HA SER A 37 -3.106 18.987 9.369 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.393 18.888 7.350 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.882 19.554 8.888 1.00 0.00 H new ATOM 0 HG SER A 37 -0.532 16.799 8.140 1.00 0.00 H new ATOM 613 N PRO A 38 -4.547 17.472 7.799 1.00 0.00 N ATOM 614 CA PRO A 38 -5.542 18.011 8.691 1.00 0.00 C ATOM 615 C PRO A 38 -5.809 16.956 9.730 1.00 0.00 C ATOM 616 O PRO A 38 -5.566 15.778 9.463 1.00 0.00 O ATOM 617 CB PRO A 38 -6.771 18.209 7.801 1.00 0.00 C ATOM 618 CG PRO A 38 -6.632 17.150 6.703 1.00 0.00 C ATOM 619 CD PRO A 38 -5.118 16.990 6.554 1.00 0.00 C ATOM 0 HA PRO A 38 -5.258 18.937 9.191 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.694 18.075 8.365 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.797 19.214 7.380 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.109 16.212 6.987 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.095 17.474 5.771 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.850 15.948 6.378 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.746 17.563 5.705 1.00 0.00 H new ATOM 627 N CYS A 39 -6.304 17.384 10.917 1.00 0.00 N ATOM 628 CA CYS A 39 -6.491 16.572 12.082 1.00 0.00 C ATOM 629 C CYS A 39 -7.427 15.434 11.828 1.00 0.00 C ATOM 630 O CYS A 39 -8.539 15.625 11.334 1.00 0.00 O ATOM 631 CB CYS A 39 -7.117 17.381 13.228 1.00 0.00 C ATOM 632 SG CYS A 39 -6.156 18.852 13.676 1.00 0.00 S ATOM 0 H CYS A 39 -6.588 18.352 11.066 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.498 16.206 12.343 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.123 17.686 12.941 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.217 16.740 14.104 1.00 0.00 H new ATOM 637 N LYS A 40 -6.961 14.215 12.174 1.00 0.00 N ATOM 638 CA LYS A 40 -7.714 13.009 11.993 1.00 0.00 C ATOM 639 C LYS A 40 -8.680 12.922 13.131 1.00 0.00 C ATOM 640 O LYS A 40 -8.346 13.278 14.259 1.00 0.00 O ATOM 641 CB LYS A 40 -6.808 11.760 11.947 1.00 0.00 C ATOM 642 CG LYS A 40 -7.489 10.515 11.360 1.00 0.00 C ATOM 643 CD LYS A 40 -6.480 9.442 10.928 1.00 0.00 C ATOM 644 CE LYS A 40 -7.111 8.272 10.165 1.00 0.00 C ATOM 645 NZ LYS A 40 -7.994 7.480 11.045 1.00 0.00 N ATOM 0 H LYS A 40 -6.041 14.066 12.588 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.234 13.038 11.036 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.921 11.989 11.356 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.468 11.533 12.957 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.168 10.093 12.101 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.094 10.807 10.502 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.718 9.904 10.300 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.973 9.056 11.812 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.682 8.652 9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.327 7.632 9.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.593 6.529 11.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.075 7.950 11.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.937 7.403 10.612 1.00 0.00 H new ATOM 659 N ASP A 41 -9.919 12.474 12.832 1.00 0.00 N ATOM 660 CA ASP A 41 -11.018 12.561 13.753 1.00 0.00 C ATOM 661 C ASP A 41 -10.936 11.513 14.814 1.00 0.00 C ATOM 662 O ASP A 41 -11.287 11.772 15.961 1.00 0.00 O ATOM 663 CB ASP A 41 -12.383 12.403 13.071 1.00 0.00 C ATOM 664 CG ASP A 41 -12.491 13.466 11.988 1.00 0.00 C ATOM 665 OD1 ASP A 41 -12.434 14.676 12.335 1.00 0.00 O ATOM 666 OD2 ASP A 41 -12.632 13.081 10.797 1.00 0.00 O ATOM 0 H ASP A 41 -10.161 12.046 11.939 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.937 13.558 14.186 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.481 11.407 12.639 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.188 12.516 13.798 1.00 0.00 H new ATOM 671 N ILE A 42 -10.489 10.296 14.453 1.00 0.00 N ATOM 672 CA ILE A 42 -10.324 9.262 15.430 1.00 0.00 C ATOM 673 C ILE A 42 -9.153 8.473 14.960 1.00 0.00 C ATOM 674 O ILE A 42 -9.093 8.057 13.805 1.00 0.00 O ATOM 675 CB ILE A 42 -11.586 8.426 15.665 1.00 0.00 C ATOM 676 CG1 ILE A 42 -11.466 7.430 16.852 1.00 0.00 C ATOM 677 CG2 ILE A 42 -12.132 7.798 14.363 1.00 0.00 C ATOM 678 CD1 ILE A 42 -10.902 6.039 16.536 1.00 0.00 C ATOM 0 H ILE A 42 -10.245 10.029 13.499 1.00 0.00 H new ATOM 0 HA ILE A 42 -10.145 9.678 16.422 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.353 9.129 15.990 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.836 7.886 17.615 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -12.456 7.303 17.290 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -13.026 7.216 14.587 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.381 8.588 13.654 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.375 7.146 13.928 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.871 5.443 17.448 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.540 5.546 15.802 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.894 6.138 16.133 1.00 0.00 H new ATOM 690 N ASN A 43 -8.186 8.240 15.868 1.00 0.00 N ATOM 691 CA ASN A 43 -7.131 7.315 15.562 1.00 0.00 C ATOM 692 C ASN A 43 -6.649 6.749 16.852 1.00 0.00 C ATOM 693 O ASN A 43 -6.356 7.471 17.804 1.00 0.00 O ATOM 694 CB ASN A 43 -5.945 7.926 14.794 1.00 0.00 C ATOM 695 CG ASN A 43 -5.017 6.829 14.271 1.00 0.00 C ATOM 696 OD1 ASN A 43 -5.362 6.141 13.305 1.00 0.00 O ATOM 697 ND2 ASN A 43 -3.814 6.701 14.907 1.00 0.00 N ATOM 0 H ASN A 43 -8.131 8.676 16.788 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.543 6.557 14.896 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.314 8.525 13.961 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.389 8.598 15.448 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.140 6.005 14.588 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.590 7.302 15.700 1.00 0.00 H new ATOM 704 N THR A 44 -6.569 5.407 16.881 1.00 0.00 N ATOM 705 CA THR A 44 -6.176 4.667 18.036 1.00 0.00 C ATOM 706 C THR A 44 -4.734 4.341 17.900 1.00 0.00 C ATOM 707 O THR A 44 -4.318 3.793 16.884 1.00 0.00 O ATOM 708 CB THR A 44 -6.965 3.395 18.118 1.00 0.00 C ATOM 709 OG1 THR A 44 -8.334 3.749 18.185 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.594 2.564 19.357 1.00 0.00 C ATOM 0 H THR A 44 -6.785 4.820 16.075 1.00 0.00 H new ATOM 0 HA THR A 44 -6.357 5.252 18.938 1.00 0.00 H new ATOM 0 HB THR A 44 -6.746 2.783 17.243 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.885 2.953 18.032 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.190 1.652 19.375 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.536 2.305 19.318 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.792 3.145 20.258 1.00 0.00 H new ATOM 718 N PHE A 45 -3.942 4.652 18.945 1.00 0.00 N ATOM 719 CA PHE A 45 -2.571 4.240 18.966 1.00 0.00 C ATOM 720 C PHE A 45 -2.537 2.958 19.726 1.00 0.00 C ATOM 721 O PHE A 45 -2.890 2.920 20.903 1.00 0.00 O ATOM 722 CB PHE A 45 -1.564 5.230 19.586 1.00 0.00 C ATOM 723 CG PHE A 45 -1.484 6.441 18.712 1.00 0.00 C ATOM 724 CD1 PHE A 45 -2.471 7.400 18.831 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.476 6.637 17.776 1.00 0.00 C ATOM 726 CE1 PHE A 45 -2.503 8.481 17.982 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.477 7.755 16.971 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.505 8.667 17.047 1.00 0.00 C ATOM 0 H PHE A 45 -4.245 5.180 19.763 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.245 4.159 17.929 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.879 5.509 20.591 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.583 4.764 19.677 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.225 7.300 19.598 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.314 5.907 17.679 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.315 9.190 18.047 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.334 7.917 16.276 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.530 9.518 16.383 1.00 0.00 H new ATOM 738 N ILE A 46 -2.108 1.878 19.040 1.00 0.00 N ATOM 739 CA ILE A 46 -1.979 0.576 19.621 1.00 0.00 C ATOM 740 C ILE A 46 -0.622 0.539 20.215 1.00 0.00 C ATOM 741 O ILE A 46 0.310 1.166 19.728 1.00 0.00 O ATOM 742 CB ILE A 46 -2.060 -0.553 18.614 1.00 0.00 C ATOM 743 CG1 ILE A 46 -3.318 -0.391 17.736 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.995 -1.930 19.315 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.445 -1.507 16.704 1.00 0.00 C ATOM 0 H ILE A 46 -1.844 1.913 18.055 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.795 0.429 20.329 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.194 -0.505 17.954 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.204 -0.382 18.371 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.282 0.572 17.226 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.055 -2.722 18.568 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.055 -2.017 19.861 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.829 -2.024 20.011 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.345 -1.352 16.109 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.572 -1.500 16.051 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.509 -2.468 17.214 1.00 0.00 H new ATOM 757 N HIS A 47 -0.517 -0.216 21.309 1.00 0.00 N ATOM 758 CA HIS A 47 0.680 -0.349 22.090 1.00 0.00 C ATOM 759 C HIS A 47 0.784 -1.756 22.570 1.00 0.00 C ATOM 760 O HIS A 47 -0.151 -2.301 23.160 1.00 0.00 O ATOM 761 CB HIS A 47 0.714 0.501 23.358 1.00 0.00 C ATOM 762 CG HIS A 47 -0.076 1.761 23.283 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.207 2.828 22.464 1.00 0.00 N ATOM 764 CD2 HIS A 47 -1.126 2.148 24.047 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.664 3.806 22.783 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.499 3.440 23.736 1.00 0.00 N ATOM 0 H HIS A 47 -1.296 -0.763 21.675 1.00 0.00 H new ATOM 0 HA HIS A 47 1.486 -0.029 21.429 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.341 -0.097 24.190 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.751 0.751 23.584 1.00 0.00 H new ATOM 0 HD1 HIS A 47 0.936 2.871 21.752 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.604 1.532 24.794 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.677 4.778 22.312 1.00 0.00 H new ATOM 774 N GLY A 48 1.964 -2.365 22.360 1.00 0.00 N ATOM 775 CA GLY A 48 2.198 -3.677 22.875 1.00 0.00 C ATOM 776 C GLY A 48 3.497 -4.128 22.312 1.00 0.00 C ATOM 777 O GLY A 48 4.493 -3.410 22.384 1.00 0.00 O ATOM 0 H GLY A 48 2.743 -1.958 21.843 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.231 -3.666 23.964 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.395 -4.355 22.587 1.00 0.00 H new ATOM 781 N ASN A 49 3.495 -5.348 21.741 1.00 0.00 N ATOM 782 CA ASN A 49 4.655 -5.919 21.124 1.00 0.00 C ATOM 783 C ASN A 49 4.289 -6.042 19.679 1.00 0.00 C ATOM 784 O ASN A 49 3.131 -6.286 19.350 1.00 0.00 O ATOM 785 CB ASN A 49 5.001 -7.294 21.728 1.00 0.00 C ATOM 786 CG ASN A 49 6.345 -7.815 21.214 1.00 0.00 C ATOM 787 OD1 ASN A 49 7.288 -7.058 20.951 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.422 -9.174 21.101 1.00 0.00 N ATOM 0 H ASN A 49 2.672 -5.949 21.707 1.00 0.00 H new ATOM 0 HA ASN A 49 5.542 -5.304 21.277 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.032 -7.217 22.815 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.215 -8.008 21.481 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.288 -9.611 20.786 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.613 -9.752 21.331 1.00 0.00 H new ATOM 795 N LYS A 50 5.276 -5.846 18.779 1.00 0.00 N ATOM 796 CA LYS A 50 5.024 -5.732 17.369 1.00 0.00 C ATOM 797 C LYS A 50 5.012 -7.093 16.741 1.00 0.00 C ATOM 798 O LYS A 50 4.481 -7.282 15.647 1.00 0.00 O ATOM 799 CB LYS A 50 6.139 -4.922 16.673 1.00 0.00 C ATOM 800 CG LYS A 50 5.797 -4.378 15.278 1.00 0.00 C ATOM 801 CD LYS A 50 6.926 -3.491 14.728 1.00 0.00 C ATOM 802 CE LYS A 50 6.587 -2.820 13.395 1.00 0.00 C ATOM 803 NZ LYS A 50 6.452 -3.831 12.323 1.00 0.00 N ATOM 0 H LYS A 50 6.261 -5.766 19.032 1.00 0.00 H new ATOM 0 HA LYS A 50 4.063 -5.232 17.248 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.407 -4.082 17.314 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.023 -5.554 16.589 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.620 -5.209 14.595 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.872 -3.803 15.327 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.162 -2.721 15.463 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.823 -4.097 14.602 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.658 -2.257 13.491 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.367 -2.106 13.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.239 -3.356 11.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.342 -4.362 12.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.680 -4.487 12.560 1.00 0.00 H new ATOM 817 N ARG A 51 5.602 -8.086 17.445 1.00 0.00 N ATOM 818 CA ARG A 51 5.572 -9.459 17.028 1.00 0.00 C ATOM 819 C ARG A 51 4.240 -10.016 17.430 1.00 0.00 C ATOM 820 O ARG A 51 3.755 -10.968 16.822 1.00 0.00 O ATOM 821 CB ARG A 51 6.700 -10.292 17.671 1.00 0.00 C ATOM 822 CG ARG A 51 6.881 -11.700 17.088 1.00 0.00 C ATOM 823 CD ARG A 51 8.055 -12.443 17.731 1.00 0.00 C ATOM 824 NE ARG A 51 8.113 -13.808 17.137 1.00 0.00 N ATOM 825 CZ ARG A 51 8.969 -14.749 17.637 1.00 0.00 C ATOM 826 NH1 ARG A 51 9.791 -14.446 18.683 1.00 0.00 N ATOM 827 NH2 ARG A 51 8.999 -15.998 17.087 1.00 0.00 N ATOM 0 H ARG A 51 6.107 -7.931 18.317 1.00 0.00 H new ATOM 0 HA ARG A 51 5.723 -9.509 15.950 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.638 -9.748 17.565 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.502 -10.380 18.739 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.966 -12.273 17.235 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.043 -11.629 16.012 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.988 -11.909 17.552 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.923 -12.502 18.811 1.00 0.00 H new ATOM 0 HE ARG A 51 7.508 -14.043 16.350 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.769 -13.513 19.096 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.428 -15.152 19.052 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.384 -16.226 16.306 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.636 -16.703 17.457 1.00 0.00 H new ATOM 841 N SER A 52 3.618 -9.404 18.463 1.00 0.00 N ATOM 842 CA SER A 52 2.277 -9.712 18.864 1.00 0.00 C ATOM 843 C SER A 52 1.304 -9.201 17.843 1.00 0.00 C ATOM 844 O SER A 52 0.358 -9.927 17.554 1.00 0.00 O ATOM 845 CB SER A 52 1.915 -9.240 20.282 1.00 0.00 C ATOM 846 OG SER A 52 0.641 -9.734 20.665 1.00 0.00 O ATOM 0 H SER A 52 4.059 -8.680 19.030 1.00 0.00 H new ATOM 0 HA SER A 52 2.212 -10.799 18.912 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.671 -9.582 20.989 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.914 -8.151 20.319 1.00 0.00 H new ATOM 0 HG SER A 52 -0.050 -9.086 20.414 1.00 0.00 H new ATOM 852 N ILE A 53 1.520 -7.977 17.276 1.00 0.00 N ATOM 853 CA ILE A 53 0.712 -7.399 16.208 1.00 0.00 C ATOM 854 C ILE A 53 0.658 -8.308 15.018 1.00 0.00 C ATOM 855 O ILE A 53 -0.431 -8.635 14.543 1.00 0.00 O ATOM 856 CB ILE A 53 1.205 -6.041 15.699 1.00 0.00 C ATOM 857 CG1 ILE A 53 1.179 -4.970 16.808 1.00 0.00 C ATOM 858 CG2 ILE A 53 0.389 -5.560 14.474 1.00 0.00 C ATOM 859 CD1 ILE A 53 -0.230 -4.589 17.251 1.00 0.00 C ATOM 0 H ILE A 53 2.283 -7.367 17.570 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.267 -7.263 16.668 1.00 0.00 H new ATOM 0 HB ILE A 53 2.240 -6.183 15.388 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.736 -5.337 17.670 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.694 -4.077 16.453 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.768 -4.594 14.141 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.485 -6.285 13.666 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.661 -5.462 14.752 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.173 -3.832 18.033 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.784 -4.192 16.400 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.741 -5.471 17.637 1.00 0.00 H new ATOM 871 N LYS A 54 1.847 -8.705 14.521 1.00 0.00 N ATOM 872 CA LYS A 54 2.025 -9.556 13.365 1.00 0.00 C ATOM 873 C LYS A 54 1.341 -10.885 13.547 1.00 0.00 C ATOM 874 O LYS A 54 0.667 -11.377 12.639 1.00 0.00 O ATOM 875 CB LYS A 54 3.507 -9.831 13.052 1.00 0.00 C ATOM 876 CG LYS A 54 3.729 -10.387 11.637 1.00 0.00 C ATOM 877 CD LYS A 54 5.207 -10.431 11.235 1.00 0.00 C ATOM 878 CE LYS A 54 5.409 -10.982 9.823 1.00 0.00 C ATOM 879 NZ LYS A 54 6.842 -10.949 9.458 1.00 0.00 N ATOM 0 H LYS A 54 2.732 -8.422 14.942 1.00 0.00 H new ATOM 0 HA LYS A 54 1.579 -9.008 12.535 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.074 -8.907 13.166 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.901 -10.539 13.781 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.312 -11.393 11.578 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.182 -9.773 10.922 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.627 -9.427 11.294 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.756 -11.049 11.946 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.036 -12.005 9.768 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.832 -10.394 9.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.964 -11.326 8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.186 -9.968 9.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.385 -11.529 10.129 1.00 0.00 H new ATOM 893 N ALA A 55 1.483 -11.481 14.755 1.00 0.00 N ATOM 894 CA ALA A 55 0.967 -12.784 15.071 1.00 0.00 C ATOM 895 C ALA A 55 -0.495 -12.787 15.425 1.00 0.00 C ATOM 896 O ALA A 55 -1.015 -13.828 15.821 1.00 0.00 O ATOM 897 CB ALA A 55 1.709 -13.437 16.247 1.00 0.00 C ATOM 0 H ALA A 55 1.972 -11.040 15.534 1.00 0.00 H new ATOM 0 HA ALA A 55 1.120 -13.349 14.152 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.282 -14.420 16.446 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.764 -13.544 15.997 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.608 -12.811 17.134 1.00 0.00 H new ATOM 903 N ILE A 56 -1.216 -11.650 15.252 1.00 0.00 N ATOM 904 CA ILE A 56 -2.651 -11.646 15.348 1.00 0.00 C ATOM 905 C ILE A 56 -3.180 -12.264 14.090 1.00 0.00 C ATOM 906 O ILE A 56 -4.250 -12.872 14.107 1.00 0.00 O ATOM 907 CB ILE A 56 -3.272 -10.270 15.556 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.758 -9.593 16.844 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.810 -10.357 15.601 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.708 -10.508 18.072 1.00 0.00 C ATOM 0 H ILE A 56 -0.804 -10.740 15.047 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.925 -12.210 16.239 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.971 -9.660 14.704 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.758 -9.202 16.658 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.397 -8.739 17.070 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.227 -9.361 15.750 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.179 -10.767 14.661 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.114 -11.004 16.424 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.335 -9.947 18.929 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.709 -10.880 18.290 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.044 -11.349 17.872 1.00 0.00 H new ATOM 922 N CYS A 57 -2.422 -12.159 12.974 1.00 0.00 N ATOM 923 CA CYS A 57 -2.831 -12.758 11.735 1.00 0.00 C ATOM 924 C CYS A 57 -2.684 -14.257 11.779 1.00 0.00 C ATOM 925 O CYS A 57 -3.446 -14.975 11.130 1.00 0.00 O ATOM 926 CB CYS A 57 -2.085 -12.216 10.512 1.00 0.00 C ATOM 927 SG CYS A 57 -2.907 -12.764 8.994 1.00 0.00 S ATOM 0 H CYS A 57 -1.532 -11.662 12.931 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.881 -12.488 11.622 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.055 -11.127 10.547 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.052 -12.564 10.522 1.00 0.00 H new ATOM 932 N GLU A 58 -1.717 -14.760 12.580 1.00 0.00 N ATOM 933 CA GLU A 58 -1.614 -16.163 12.882 1.00 0.00 C ATOM 934 C GLU A 58 -2.737 -16.547 13.793 1.00 0.00 C ATOM 935 O GLU A 58 -3.247 -15.731 14.559 1.00 0.00 O ATOM 936 CB GLU A 58 -0.323 -16.539 13.631 1.00 0.00 C ATOM 937 CG GLU A 58 0.947 -16.261 12.825 1.00 0.00 C ATOM 938 CD GLU A 58 2.142 -16.616 13.699 1.00 0.00 C ATOM 939 OE1 GLU A 58 2.237 -17.798 14.123 1.00 0.00 O ATOM 940 OE2 GLU A 58 2.976 -15.707 13.954 1.00 0.00 O ATOM 0 H GLU A 58 -0.999 -14.187 13.023 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.632 -16.677 11.921 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.280 -15.983 14.568 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.356 -17.597 13.890 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.955 -16.852 11.909 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.989 -15.213 12.528 1.00 0.00 H new ATOM 947 N ASN A 59 -3.124 -17.839 13.740 1.00 0.00 N ATOM 948 CA ASN A 59 -4.242 -18.355 14.479 1.00 0.00 C ATOM 949 C ASN A 59 -3.824 -18.875 15.828 1.00 0.00 C ATOM 950 O ASN A 59 -4.631 -19.487 16.530 1.00 0.00 O ATOM 951 CB ASN A 59 -5.007 -19.466 13.723 1.00 0.00 C ATOM 952 CG ASN A 59 -4.127 -20.701 13.494 1.00 0.00 C ATOM 953 OD1 ASN A 59 -3.111 -20.660 12.790 1.00 0.00 O ATOM 954 ND2 ASN A 59 -4.569 -21.846 14.099 1.00 0.00 N ATOM 0 H ASN A 59 -2.650 -18.541 13.171 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.917 -17.509 14.608 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.893 -19.750 14.291 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.353 -19.082 12.763 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.054 -22.718 13.979 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.414 -21.827 14.670 1.00 0.00 H new ATOM 961 N LYS A 60 -2.558 -18.631 16.226 1.00 0.00 N ATOM 962 CA LYS A 60 -2.061 -19.025 17.511 1.00 0.00 C ATOM 963 C LYS A 60 -2.414 -17.963 18.503 1.00 0.00 C ATOM 964 O LYS A 60 -2.948 -18.245 19.574 1.00 0.00 O ATOM 965 CB LYS A 60 -0.530 -19.225 17.496 1.00 0.00 C ATOM 966 CG LYS A 60 0.061 -19.760 18.810 1.00 0.00 C ATOM 967 CD LYS A 60 1.567 -20.043 18.696 1.00 0.00 C ATOM 968 CE LYS A 60 2.180 -20.608 19.983 1.00 0.00 C ATOM 969 NZ LYS A 60 2.067 -19.631 21.088 1.00 0.00 N ATOM 0 H LYS A 60 -1.869 -18.152 15.645 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.516 -19.978 17.782 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.275 -19.915 16.692 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.055 -18.272 17.261 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.112 -19.035 19.606 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.459 -20.675 19.094 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.736 -20.748 17.882 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.083 -19.120 18.431 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.674 -21.534 20.257 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.228 -20.855 19.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.604 -19.973 21.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.450 -18.714 20.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.067 -19.518 21.351 1.00 0.00 H new ATOM 983 N ASN A 61 -2.076 -16.710 18.148 1.00 0.00 N ATOM 984 CA ASN A 61 -2.075 -15.600 19.060 1.00 0.00 C ATOM 985 C ASN A 61 -3.192 -14.668 18.685 1.00 0.00 C ATOM 986 O ASN A 61 -3.463 -13.688 19.377 1.00 0.00 O ATOM 987 CB ASN A 61 -0.700 -14.904 19.030 1.00 0.00 C ATOM 988 CG ASN A 61 -0.552 -13.904 20.170 1.00 0.00 C ATOM 989 OD1 ASN A 61 -0.538 -14.279 21.347 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.417 -12.600 19.780 1.00 0.00 N ATOM 0 H ASN A 61 -1.795 -16.458 17.200 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.242 -15.939 20.083 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.089 -15.653 19.098 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.572 -14.391 18.077 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.296 -11.868 20.480 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.438 -12.359 18.789 1.00 0.00 H new ATOM 997 N GLY A 62 -3.890 -14.984 17.579 1.00 0.00 N ATOM 998 CA GLY A 62 -5.118 -14.326 17.242 1.00 0.00 C ATOM 999 C GLY A 62 -5.996 -15.429 16.769 1.00 0.00 C ATOM 1000 O GLY A 62 -5.752 -16.587 17.097 1.00 0.00 O ATOM 0 H GLY A 62 -3.602 -15.701 16.913 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.547 -13.815 18.104 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.969 -13.574 16.467 1.00 0.00 H new ATOM 1004 N ASN A 63 -7.045 -15.100 15.991 1.00 0.00 N ATOM 1005 CA ASN A 63 -7.904 -16.113 15.443 1.00 0.00 C ATOM 1006 C ASN A 63 -8.644 -15.449 14.321 1.00 0.00 C ATOM 1007 O ASN A 63 -8.807 -14.232 14.394 1.00 0.00 O ATOM 1008 CB ASN A 63 -8.926 -16.730 16.439 1.00 0.00 C ATOM 1009 CG ASN A 63 -9.729 -15.685 17.222 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -10.854 -15.332 16.851 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -9.135 -15.246 18.375 1.00 0.00 N ATOM 0 H ASN A 63 -7.299 -14.144 15.742 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.284 -16.955 15.136 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.617 -17.369 15.888 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.393 -17.369 17.143 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.625 -14.590 18.983 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.203 -15.575 18.626 1.00 0.00 H new ATOM 1018 N PRO A 64 -9.096 -16.158 13.290 1.00 0.00 N ATOM 1019 CA PRO A 64 -9.828 -15.574 12.199 1.00 0.00 C ATOM 1020 C PRO A 64 -11.200 -15.250 12.700 1.00 0.00 C ATOM 1021 O PRO A 64 -11.798 -16.048 13.422 1.00 0.00 O ATOM 1022 CB PRO A 64 -9.861 -16.649 11.109 1.00 0.00 C ATOM 1023 CG PRO A 64 -9.578 -17.963 11.840 1.00 0.00 C ATOM 1024 CD PRO A 64 -8.695 -17.526 13.008 1.00 0.00 C ATOM 0 HA PRO A 64 -9.387 -14.658 11.807 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.830 -16.676 10.610 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.112 -16.455 10.341 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.496 -18.439 12.185 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.069 -18.681 11.197 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.843 -18.168 13.877 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.638 -17.582 12.747 1.00 0.00 H new ATOM 1032 N HIS A 65 -11.694 -14.062 12.305 1.00 0.00 N ATOM 1033 CA HIS A 65 -12.976 -13.576 12.703 1.00 0.00 C ATOM 1034 C HIS A 65 -13.623 -13.174 11.429 1.00 0.00 C ATOM 1035 O HIS A 65 -13.076 -12.342 10.707 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.874 -12.333 13.606 1.00 0.00 C ATOM 1037 CG HIS A 65 -14.205 -11.707 13.890 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -15.161 -12.321 14.653 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -14.722 -10.528 13.472 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -16.228 -11.534 14.694 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -15.987 -10.440 13.985 1.00 0.00 N ATOM 0 H HIS A 65 -11.187 -13.424 11.692 1.00 0.00 H new ATOM 0 HA HIS A 65 -13.519 -14.334 13.268 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.401 -12.612 14.548 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.226 -11.597 13.130 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -14.229 -9.795 12.851 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -17.146 -11.750 15.221 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.635 -9.664 13.846 1.00 0.00 H new ATOM 1050 N ARG A 66 -14.806 -13.764 11.146 1.00 0.00 N ATOM 1051 CA ARG A 66 -15.585 -13.534 9.955 1.00 0.00 C ATOM 1052 C ARG A 66 -14.860 -14.088 8.761 1.00 0.00 C ATOM 1053 O ARG A 66 -14.912 -15.290 8.506 1.00 0.00 O ATOM 1054 CB ARG A 66 -16.057 -12.064 9.766 1.00 0.00 C ATOM 1055 CG ARG A 66 -17.075 -11.775 8.638 1.00 0.00 C ATOM 1056 CD ARG A 66 -18.438 -12.471 8.769 1.00 0.00 C ATOM 1057 NE ARG A 66 -18.341 -13.841 8.186 1.00 0.00 N ATOM 1058 CZ ARG A 66 -19.414 -14.685 8.193 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -20.602 -14.287 8.734 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -19.295 -15.934 7.655 1.00 0.00 N ATOM 0 H ARG A 66 -15.242 -14.435 11.778 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.523 -14.077 10.072 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.494 -11.729 10.706 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.175 -11.449 9.587 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.241 -10.699 8.592 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.629 -12.069 7.688 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -18.733 -12.528 9.817 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -19.206 -11.895 8.252 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.460 -14.152 7.776 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -20.692 -13.354 9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -21.400 -14.922 8.736 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.408 -16.233 7.250 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -20.094 -16.569 7.658 1.00 0.00 H new ATOM 1074 N GLU A 67 -14.184 -13.214 7.995 1.00 0.00 N ATOM 1075 CA GLU A 67 -13.521 -13.589 6.791 1.00 0.00 C ATOM 1076 C GLU A 67 -12.586 -12.458 6.539 1.00 0.00 C ATOM 1077 O GLU A 67 -13.025 -11.364 6.194 1.00 0.00 O ATOM 1078 CB GLU A 67 -14.474 -13.741 5.584 1.00 0.00 C ATOM 1079 CG GLU A 67 -13.777 -14.172 4.286 1.00 0.00 C ATOM 1080 CD GLU A 67 -14.857 -14.424 3.245 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -15.589 -13.457 2.902 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -14.965 -15.589 2.777 1.00 0.00 O ATOM 0 H GLU A 67 -14.098 -12.223 8.220 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.043 -14.562 6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.243 -14.473 5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.981 -12.791 5.413 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.090 -13.397 3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.186 -15.073 4.450 1.00 0.00 H new ATOM 1089 N ASN A 68 -11.278 -12.738 6.733 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.105 -11.926 6.472 1.00 0.00 C ATOM 1091 C ASN A 68 -9.731 -11.007 7.599 1.00 0.00 C ATOM 1092 O ASN A 68 -8.683 -10.367 7.532 1.00 0.00 O ATOM 1093 CB ASN A 68 -9.946 -11.227 5.077 1.00 0.00 C ATOM 1094 CG ASN A 68 -10.877 -10.039 4.753 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -11.742 -10.170 3.876 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -10.678 -8.871 5.434 1.00 0.00 N ATOM 0 H ASN A 68 -11.007 -13.642 7.119 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.368 -12.726 6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.917 -10.878 4.994 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.089 -11.984 4.306 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.256 -8.056 5.228 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.952 -8.814 6.148 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.567 -10.917 8.657 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.276 -10.052 9.760 1.00 0.00 C ATOM 1105 C LEU A 69 -9.762 -10.987 10.787 1.00 0.00 C ATOM 1106 O LEU A 69 -10.040 -12.181 10.718 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.488 -9.291 10.342 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.132 -8.224 9.421 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -11.099 -7.261 8.809 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -13.064 -8.815 8.349 1.00 0.00 C ATOM 0 H LEU A 69 -11.438 -11.441 8.746 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.595 -9.263 9.442 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.253 -10.019 10.610 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.175 -8.803 11.265 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.767 -7.634 10.081 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.609 -6.537 8.174 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.573 -6.737 9.607 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.383 -7.826 8.212 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.478 -8.009 7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.500 -9.496 7.712 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.876 -9.359 8.832 1.00 0.00 H new ATOM 1122 N ARG A 70 -8.969 -10.479 11.747 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.409 -11.337 12.744 1.00 0.00 C ATOM 1124 C ARG A 70 -8.448 -10.568 14.006 1.00 0.00 C ATOM 1125 O ARG A 70 -7.781 -9.544 14.146 1.00 0.00 O ATOM 1126 CB ARG A 70 -6.939 -11.757 12.550 1.00 0.00 C ATOM 1127 CG ARG A 70 -6.730 -13.032 11.719 1.00 0.00 C ATOM 1128 CD ARG A 70 -6.606 -12.820 10.213 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.436 -14.164 9.596 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.413 -14.317 8.240 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -6.536 -13.234 7.418 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -6.259 -15.562 7.703 1.00 0.00 N ATOM 0 H ARG A 70 -8.719 -9.494 11.833 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.991 -12.258 12.711 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.403 -10.938 12.071 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.487 -11.903 13.531 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.829 -13.532 12.074 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.565 -13.708 11.906 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.493 -12.324 9.819 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.755 -12.180 9.983 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.335 -14.983 10.196 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.646 -12.301 7.816 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.518 -13.357 6.406 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.162 -16.373 8.314 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.241 -15.682 6.690 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.244 -11.088 14.957 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.379 -10.494 16.246 1.00 0.00 C ATOM 1148 C ILE A 71 -8.328 -11.119 17.110 1.00 0.00 C ATOM 1149 O ILE A 71 -8.030 -12.306 16.983 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.788 -10.678 16.792 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -11.097 -9.704 17.943 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.081 -12.142 17.178 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.605 -9.535 18.147 1.00 0.00 C ATOM 0 H ILE A 71 -9.801 -11.933 14.827 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.233 -9.414 16.210 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.469 -10.429 15.978 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.643 -10.072 18.863 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.647 -8.734 17.731 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.098 -12.220 17.562 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -10.975 -12.778 16.299 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.378 -12.464 17.946 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.786 -8.841 18.968 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.054 -9.143 17.234 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -13.051 -10.501 18.385 1.00 0.00 H new ATOM 1165 N SER A 72 -7.721 -10.303 17.992 1.00 0.00 N ATOM 1166 CA SER A 72 -6.623 -10.763 18.796 1.00 0.00 C ATOM 1167 C SER A 72 -7.083 -11.462 20.030 1.00 0.00 C ATOM 1168 O SER A 72 -8.229 -11.330 20.457 1.00 0.00 O ATOM 1169 CB SER A 72 -5.675 -9.645 19.243 1.00 0.00 C ATOM 1170 OG SER A 72 -6.276 -8.783 20.183 1.00 0.00 O ATOM 0 H SER A 72 -7.986 -9.331 18.150 1.00 0.00 H new ATOM 0 HA SER A 72 -6.088 -11.447 18.137 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.777 -10.084 19.677 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.360 -9.069 18.373 1.00 0.00 H new ATOM 0 HG SER A 72 -5.596 -8.187 20.561 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.144 -12.225 20.630 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.360 -12.904 21.871 1.00 0.00 C ATOM 1178 C LYS A 73 -5.535 -12.228 22.910 1.00 0.00 C ATOM 1179 O LYS A 73 -5.873 -12.265 24.092 1.00 0.00 O ATOM 1180 CB LYS A 73 -5.929 -14.379 21.853 1.00 0.00 C ATOM 1181 CG LYS A 73 -6.800 -15.257 20.948 1.00 0.00 C ATOM 1182 CD LYS A 73 -6.249 -16.681 20.837 1.00 0.00 C ATOM 1183 CE LYS A 73 -7.164 -17.647 20.084 1.00 0.00 C ATOM 1184 NZ LYS A 73 -6.505 -18.962 19.938 1.00 0.00 N ATOM 0 H LYS A 73 -5.213 -12.372 20.240 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.432 -12.870 22.068 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.893 -14.443 21.520 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.963 -14.772 22.869 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.816 -15.290 21.342 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.858 -14.811 19.955 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.282 -16.647 20.335 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.074 -17.071 21.840 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.106 -17.761 20.621 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.404 -17.241 19.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.135 -19.611 19.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.618 -18.849 19.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.298 -19.353 20.879 1.00 0.00 H new ATOM 1198 N SER A 74 -4.418 -11.603 22.482 1.00 0.00 N ATOM 1199 CA SER A 74 -3.510 -10.942 23.358 1.00 0.00 C ATOM 1200 C SER A 74 -3.776 -9.489 23.217 1.00 0.00 C ATOM 1201 O SER A 74 -3.051 -8.789 22.515 1.00 0.00 O ATOM 1202 CB SER A 74 -2.054 -11.205 22.976 1.00 0.00 C ATOM 1203 OG SER A 74 -1.695 -12.518 23.370 1.00 0.00 O ATOM 0 H SER A 74 -4.145 -11.560 21.500 1.00 0.00 H new ATOM 0 HA SER A 74 -3.654 -11.306 24.375 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.921 -11.087 21.901 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.402 -10.477 23.459 1.00 0.00 H new ATOM 0 HG SER A 74 -1.338 -13.005 22.598 1.00 0.00 H new ATOM 1209 N SER A 75 -4.847 -9.053 23.911 1.00 0.00 N ATOM 1210 CA SER A 75 -5.355 -7.708 24.020 1.00 0.00 C ATOM 1211 C SER A 75 -4.295 -6.691 24.319 1.00 0.00 C ATOM 1212 O SER A 75 -3.432 -6.888 25.173 1.00 0.00 O ATOM 1213 CB SER A 75 -6.434 -7.599 25.108 1.00 0.00 C ATOM 1214 OG SER A 75 -5.969 -8.168 26.322 1.00 0.00 O ATOM 0 H SER A 75 -5.415 -9.707 24.450 1.00 0.00 H new ATOM 0 HA SER A 75 -5.776 -7.492 23.038 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.696 -6.553 25.266 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.341 -8.109 24.783 1.00 0.00 H new ATOM 0 HG SER A 75 -5.480 -7.491 26.835 1.00 0.00 H new ATOM 1220 N PHE A 76 -4.353 -5.576 23.561 1.00 0.00 N ATOM 1221 CA PHE A 76 -3.293 -4.608 23.514 1.00 0.00 C ATOM 1222 C PHE A 76 -3.810 -3.375 24.149 1.00 0.00 C ATOM 1223 O PHE A 76 -5.019 -3.180 24.244 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.875 -4.203 22.073 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.350 -5.345 21.248 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.229 -6.269 20.720 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -1.004 -5.448 20.908 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.777 -7.306 19.950 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.540 -6.492 20.119 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.441 -7.437 19.670 1.00 0.00 C ATOM 0 H PHE A 76 -5.151 -5.342 22.970 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.428 -5.052 24.006 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.735 -3.766 21.565 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.111 -3.428 22.131 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.286 -6.172 20.917 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.308 -4.703 21.264 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.479 -8.028 19.559 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.506 -6.564 19.861 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.092 -8.283 19.096 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.868 -2.524 24.602 1.00 0.00 N ATOM 1241 CA GLN A 77 -3.152 -1.262 25.199 1.00 0.00 C ATOM 1242 C GLN A 77 -3.418 -0.344 24.082 1.00 0.00 C ATOM 1243 O GLN A 77 -2.624 -0.249 23.158 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.955 -0.811 26.072 1.00 0.00 C ATOM 1245 CG GLN A 77 -2.222 0.313 27.085 1.00 0.00 C ATOM 1246 CD GLN A 77 -2.431 -0.200 28.512 1.00 0.00 C ATOM 1247 OE1 GLN A 77 -1.600 -0.928 29.067 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -3.585 0.224 29.113 1.00 0.00 N ATOM 0 H GLN A 77 -1.870 -2.728 24.548 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.012 -1.294 25.868 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.586 -1.680 26.617 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.153 -0.487 25.408 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.383 1.009 27.075 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.104 0.872 26.774 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.234 0.825 28.605 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.796 -0.061 30.069 1.00 0.00 H new ATOM 1257 N VAL A 78 -4.590 0.312 24.117 1.00 0.00 N ATOM 1258 CA VAL A 78 -5.058 1.019 22.967 1.00 0.00 C ATOM 1259 C VAL A 78 -5.630 2.322 23.425 1.00 0.00 C ATOM 1260 O VAL A 78 -6.742 2.379 23.947 1.00 0.00 O ATOM 1261 CB VAL A 78 -6.106 0.256 22.186 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -5.337 -0.590 21.162 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -7.036 -0.595 23.070 1.00 0.00 C ATOM 0 H VAL A 78 -5.206 0.354 24.929 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.213 1.163 22.294 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.789 0.950 21.696 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.042 -1.167 20.564 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.759 0.065 20.510 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.663 -1.269 21.684 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.761 -1.113 22.442 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.445 -1.326 23.621 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.561 0.051 23.773 1.00 0.00 H new ATOM 1273 N THR A 79 -4.866 3.415 23.224 1.00 0.00 N ATOM 1274 CA THR A 79 -5.326 4.728 23.580 1.00 0.00 C ATOM 1275 C THR A 79 -6.014 5.280 22.381 1.00 0.00 C ATOM 1276 O THR A 79 -5.373 5.634 21.394 1.00 0.00 O ATOM 1277 CB THR A 79 -4.214 5.638 24.027 1.00 0.00 C ATOM 1278 OG1 THR A 79 -3.612 5.065 25.174 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.747 7.025 24.411 1.00 0.00 C ATOM 0 H THR A 79 -3.932 3.391 22.816 1.00 0.00 H new ATOM 0 HA THR A 79 -6.000 4.659 24.434 1.00 0.00 H new ATOM 0 HB THR A 79 -3.504 5.751 23.208 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.875 4.480 24.899 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.919 7.658 24.729 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.239 7.477 23.550 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.463 6.927 25.227 1.00 0.00 H new ATOM 1287 N THR A 80 -7.358 5.359 22.464 1.00 0.00 N ATOM 1288 CA THR A 80 -8.185 5.829 21.395 1.00 0.00 C ATOM 1289 C THR A 80 -8.271 7.309 21.539 1.00 0.00 C ATOM 1290 O THR A 80 -8.961 7.814 22.423 1.00 0.00 O ATOM 1291 CB THR A 80 -9.563 5.217 21.437 1.00 0.00 C ATOM 1292 OG1 THR A 80 -9.443 3.805 21.359 1.00 0.00 O ATOM 1293 CG2 THR A 80 -10.416 5.718 20.258 1.00 0.00 C ATOM 0 H THR A 80 -7.881 5.089 23.297 1.00 0.00 H new ATOM 0 HA THR A 80 -7.752 5.544 20.436 1.00 0.00 H new ATOM 0 HB THR A 80 -10.050 5.506 22.368 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.334 3.399 21.387 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.406 5.265 20.307 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.510 6.803 20.312 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.936 5.442 19.319 1.00 0.00 H new ATOM 1301 N CYS A 81 -7.552 8.032 20.655 1.00 0.00 N ATOM 1302 CA CYS A 81 -7.504 9.459 20.724 1.00 0.00 C ATOM 1303 C CYS A 81 -8.492 9.984 19.760 1.00 0.00 C ATOM 1304 O CYS A 81 -8.354 9.807 18.551 1.00 0.00 O ATOM 1305 CB CYS A 81 -6.137 10.031 20.364 1.00 0.00 C ATOM 1306 SG CYS A 81 -4.885 9.252 21.398 1.00 0.00 S ATOM 0 H CYS A 81 -7.006 7.626 19.895 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.717 9.753 21.752 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.920 9.853 19.311 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -6.130 11.111 20.513 1.00 0.00 H new ATOM 1311 N LYS A 82 -9.522 10.644 20.308 1.00 0.00 N ATOM 1312 CA LYS A 82 -10.612 11.121 19.517 1.00 0.00 C ATOM 1313 C LYS A 82 -10.517 12.606 19.632 1.00 0.00 C ATOM 1314 O LYS A 82 -10.263 13.124 20.717 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.960 10.602 20.062 1.00 0.00 C ATOM 1316 CG LYS A 82 -13.086 10.410 19.028 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.798 11.689 18.566 1.00 0.00 C ATOM 1318 CE LYS A 82 -15.017 11.414 17.681 1.00 0.00 C ATOM 1319 NZ LYS A 82 -14.603 10.775 16.412 1.00 0.00 N ATOM 0 H LYS A 82 -9.602 10.849 21.304 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.563 10.779 18.483 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.784 9.647 20.557 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.311 11.297 20.825 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.668 9.914 18.152 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.830 9.736 19.451 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.113 12.258 19.441 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.092 12.312 18.017 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.718 10.768 18.209 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.540 12.347 17.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.395 10.795 15.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.794 11.292 16.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.328 9.789 16.594 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.696 13.303 18.489 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.639 14.732 18.358 1.00 0.00 C ATOM 1335 C LEU A 83 -11.786 15.310 19.132 1.00 0.00 C ATOM 1336 O LEU A 83 -12.952 15.049 18.835 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.810 15.116 16.861 1.00 0.00 C ATOM 1338 CG LEU A 83 -10.277 16.479 16.339 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -10.745 17.736 17.078 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -8.754 16.506 16.218 1.00 0.00 C ATOM 0 H LEU A 83 -10.893 12.839 17.602 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.686 15.110 18.728 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.333 14.334 16.270 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.876 15.079 16.637 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.741 16.531 15.354 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.301 18.617 16.614 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -11.831 17.806 17.025 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.436 17.681 18.122 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.436 17.481 15.849 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.308 16.325 17.196 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.430 15.732 15.522 1.00 0.00 H new ATOM 1352 N HIS A 84 -11.454 16.126 20.149 1.00 0.00 N ATOM 1353 CA HIS A 84 -12.435 16.837 20.909 1.00 0.00 C ATOM 1354 C HIS A 84 -11.893 18.213 21.070 1.00 0.00 C ATOM 1355 O HIS A 84 -11.072 18.479 21.946 1.00 0.00 O ATOM 1356 CB HIS A 84 -12.687 16.231 22.299 1.00 0.00 C ATOM 1357 CG HIS A 84 -13.458 14.946 22.218 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -13.050 13.659 22.310 1.00 0.00 N flip ATOM 1359 CD2 HIS A 84 -14.804 14.926 21.977 1.00 0.00 C flip ATOM 1360 CE1 HIS A 84 -14.155 12.873 22.138 1.00 0.00 C flip ATOM 1361 NE2 HIS A 84 -15.202 13.662 21.936 1.00 0.00 N flip ATOM 0 H HIS A 84 -10.493 16.294 20.447 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.392 16.801 20.389 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.733 16.051 22.795 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.236 16.946 22.912 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -15.435 15.792 21.843 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -14.173 11.793 22.162 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -16.159 13.347 21.775 1.00 0.00 H new ATOM 1370 N GLY A 85 -12.353 19.130 20.200 1.00 0.00 N ATOM 1371 CA GLY A 85 -11.885 20.479 20.245 1.00 0.00 C ATOM 1372 C GLY A 85 -12.618 21.215 19.191 1.00 0.00 C ATOM 1373 O GLY A 85 -13.057 22.347 19.392 1.00 0.00 O ATOM 0 H GLY A 85 -13.042 18.940 19.472 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.068 20.920 21.225 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.810 20.522 20.072 1.00 0.00 H new ATOM 1377 N GLY A 86 -12.743 20.556 18.027 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.354 21.137 16.870 1.00 0.00 C ATOM 1379 C GLY A 86 -12.301 21.894 16.140 1.00 0.00 C ATOM 1380 O GLY A 86 -12.532 23.013 15.684 1.00 0.00 O ATOM 0 H GLY A 86 -12.414 19.601 17.885 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.781 20.363 16.233 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.171 21.798 17.159 1.00 0.00 H new ATOM 1384 N SER A 87 -11.115 21.268 16.020 1.00 0.00 N ATOM 1385 CA SER A 87 -10.014 21.788 15.256 1.00 0.00 C ATOM 1386 C SER A 87 -9.823 20.877 14.074 1.00 0.00 C ATOM 1387 O SER A 87 -9.366 19.755 14.285 1.00 0.00 O ATOM 1388 CB SER A 87 -8.699 21.768 16.054 1.00 0.00 C ATOM 1389 OG SER A 87 -8.803 22.609 17.193 1.00 0.00 O ATOM 0 H SER A 87 -10.913 20.373 16.466 1.00 0.00 H new ATOM 0 HA SER A 87 -10.241 22.817 14.978 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.470 20.749 16.365 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.876 22.101 15.421 1.00 0.00 H new ATOM 0 HG SER A 87 -7.961 22.587 17.694 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.115 21.266 12.835 1.00 0.00 N ATOM 1396 CA PRO A 88 -9.813 20.442 11.696 1.00 0.00 C ATOM 1397 C PRO A 88 -8.398 20.700 11.285 1.00 0.00 C ATOM 1398 O PRO A 88 -7.855 19.877 10.554 1.00 0.00 O ATOM 1399 CB PRO A 88 -10.717 20.944 10.570 1.00 0.00 C ATOM 1400 CG PRO A 88 -11.802 21.765 11.266 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.091 22.292 12.511 1.00 0.00 C ATOM 0 HA PRO A 88 -9.956 19.383 11.912 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.159 21.552 9.858 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.149 20.114 10.011 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.162 22.576 10.633 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.667 21.154 11.524 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.610 23.251 12.317 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.791 22.447 13.332 1.00 0.00 H new ATOM 1409 N TRP A 89 -7.815 21.848 11.682 1.00 0.00 N ATOM 1410 CA TRP A 89 -6.559 22.298 11.161 1.00 0.00 C ATOM 1411 C TRP A 89 -5.557 22.222 12.270 1.00 0.00 C ATOM 1412 O TRP A 89 -5.986 22.193 13.422 1.00 0.00 O ATOM 1413 CB TRP A 89 -6.681 23.744 10.652 1.00 0.00 C ATOM 1414 CG TRP A 89 -7.724 23.835 9.567 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -8.968 24.392 9.615 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.612 23.190 8.287 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -9.633 24.152 8.436 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -8.814 23.405 7.615 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.600 22.464 7.723 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -9.022 22.894 6.365 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -6.815 21.935 6.470 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -8.006 22.146 5.799 1.00 0.00 C ATOM 0 H TRP A 89 -8.223 22.474 12.376 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.248 21.675 10.323 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -6.947 24.405 11.477 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -5.719 24.084 10.269 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.371 24.940 10.454 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -10.574 24.472 8.207 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -5.665 22.311 8.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -9.948 23.068 5.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -6.040 21.345 6.003 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -8.145 21.719 4.817 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.253 22.182 11.996 1.00 0.00 N ATOM 1434 CA PRO A 90 -3.254 21.983 13.012 1.00 0.00 C ATOM 1435 C PRO A 90 -3.114 23.275 13.787 1.00 0.00 C ATOM 1436 O PRO A 90 -3.225 24.321 13.147 1.00 0.00 O ATOM 1437 CB PRO A 90 -1.952 21.685 12.253 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.221 22.093 10.804 1.00 0.00 C ATOM 1439 CD PRO A 90 -3.727 21.904 10.671 1.00 0.00 C ATOM 0 HA PRO A 90 -3.501 21.179 13.705 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.117 22.248 12.670 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -1.691 20.629 12.321 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.925 23.125 10.613 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -1.672 21.468 10.100 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.147 22.582 9.928 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.972 20.891 10.352 1.00 0.00 H new ATOM 1447 N PRO A 91 -2.854 23.300 15.089 1.00 0.00 N ATOM 1448 CA PRO A 91 -2.695 22.149 15.932 1.00 0.00 C ATOM 1449 C PRO A 91 -4.053 21.672 16.320 1.00 0.00 C ATOM 1450 O PRO A 91 -5.036 22.405 16.211 1.00 0.00 O ATOM 1451 CB PRO A 91 -1.995 22.634 17.192 1.00 0.00 C ATOM 1452 CG PRO A 91 -1.417 23.996 16.819 1.00 0.00 C ATOM 1453 CD PRO A 91 -2.343 24.501 15.712 1.00 0.00 C ATOM 0 HA PRO A 91 -2.138 21.355 15.435 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.693 22.716 18.025 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.211 21.942 17.500 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.409 24.674 17.673 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.388 23.911 16.470 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.150 25.111 16.118 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -1.804 25.121 14.996 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.084 20.422 16.791 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.303 19.721 17.055 1.00 0.00 C ATOM 1463 C CYS A 92 -5.448 19.619 18.533 1.00 0.00 C ATOM 1464 O CYS A 92 -4.491 19.841 19.272 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.267 18.276 16.543 1.00 0.00 C ATOM 1466 SG CYS A 92 -4.668 18.131 14.837 1.00 0.00 S ATOM 0 H CYS A 92 -3.245 19.880 16.995 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.111 20.262 16.562 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.627 17.683 17.196 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.269 17.851 16.606 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.664 19.254 18.984 1.00 0.00 N ATOM 1472 CA GLN A 93 -6.923 18.980 20.368 1.00 0.00 C ATOM 1473 C GLN A 93 -7.444 17.585 20.418 1.00 0.00 C ATOM 1474 O GLN A 93 -8.501 17.297 19.862 1.00 0.00 O ATOM 1475 CB GLN A 93 -8.011 19.884 20.972 1.00 0.00 C ATOM 1476 CG GLN A 93 -7.620 21.365 21.033 1.00 0.00 C ATOM 1477 CD GLN A 93 -8.829 22.159 21.526 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -9.381 22.990 20.795 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -9.241 21.885 22.801 1.00 0.00 N ATOM 0 H GLN A 93 -7.479 19.147 18.381 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.005 19.145 20.932 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.923 19.782 20.384 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.241 19.537 21.979 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.773 21.507 21.704 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.310 21.717 20.049 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.746 21.188 23.358 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.043 22.377 23.195 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.699 16.685 21.092 1.00 0.00 N ATOM 1489 CA TYR A 94 -7.102 15.316 21.238 1.00 0.00 C ATOM 1490 C TYR A 94 -7.407 15.072 22.662 1.00 0.00 C ATOM 1491 O TYR A 94 -6.614 15.416 23.534 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.998 14.308 20.892 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.896 14.311 19.420 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.906 13.726 18.686 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.864 14.960 18.777 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.940 13.864 17.318 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.893 15.091 17.407 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.943 14.573 16.685 1.00 0.00 C ATOM 1499 OH TYR A 94 -6.008 14.793 15.300 1.00 0.00 O ATOM 0 H TYR A 94 -5.810 16.908 21.539 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.945 15.176 20.561 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.051 14.593 21.350 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.246 13.314 21.265 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.674 13.157 19.188 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.038 15.363 19.344 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.741 13.421 16.745 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.089 15.602 16.898 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.771 14.304 14.927 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.561 14.422 22.905 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.838 13.861 24.192 1.00 0.00 C ATOM 1511 C ARG A 95 -8.519 12.411 24.057 1.00 0.00 C ATOM 1512 O ARG A 95 -9.147 11.693 23.278 1.00 0.00 O ATOM 1513 CB ARG A 95 -10.302 14.033 24.653 1.00 0.00 C ATOM 1514 CG ARG A 95 -10.624 13.446 26.040 1.00 0.00 C ATOM 1515 CD ARG A 95 -9.765 14.018 27.173 1.00 0.00 C ATOM 1516 NE ARG A 95 -10.150 13.320 28.431 1.00 0.00 N ATOM 1517 CZ ARG A 95 -9.380 13.432 29.552 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -8.258 14.208 29.545 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -9.738 12.766 30.689 1.00 0.00 N ATOM 0 H ARG A 95 -9.299 14.286 22.214 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.246 14.375 24.949 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.541 15.096 24.661 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.956 13.565 23.917 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.674 13.629 26.266 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.489 12.365 26.006 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.706 13.869 26.962 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.923 15.092 27.268 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.997 12.753 28.455 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.990 14.709 28.698 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.687 14.287 30.387 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.578 12.188 30.698 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.165 12.847 31.529 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.518 11.962 24.837 1.00 0.00 N ATOM 1534 CA ALA A 96 -7.128 10.587 24.865 1.00 0.00 C ATOM 1535 C ALA A 96 -8.020 9.874 25.823 1.00 0.00 C ATOM 1536 O ALA A 96 -8.217 10.328 26.948 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.706 10.405 25.406 1.00 0.00 C ATOM 0 H ALA A 96 -6.973 12.562 25.456 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.187 10.206 23.845 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.451 9.345 25.410 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.003 10.945 24.771 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.651 10.795 26.422 1.00 0.00 H new ATOM 1543 N THR A 97 -8.568 8.721 25.382 1.00 0.00 N ATOM 1544 CA THR A 97 -9.346 7.870 26.233 1.00 0.00 C ATOM 1545 C THR A 97 -8.657 6.550 26.168 1.00 0.00 C ATOM 1546 O THR A 97 -8.710 5.864 25.149 1.00 0.00 O ATOM 1547 CB THR A 97 -10.784 7.735 25.797 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.375 9.025 25.733 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.570 6.875 26.806 1.00 0.00 C ATOM 0 H THR A 97 -8.470 8.378 24.427 1.00 0.00 H new ATOM 0 HA THR A 97 -9.403 8.284 27.240 1.00 0.00 H new ATOM 0 HB THR A 97 -10.813 7.256 24.818 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.309 8.943 25.448 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.606 6.786 26.479 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.122 5.883 26.866 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.539 7.347 27.788 1.00 0.00 H new ATOM 1557 N ALA A 98 -7.980 6.186 27.275 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.198 4.986 27.335 1.00 0.00 C ATOM 1559 C ALA A 98 -8.088 3.811 27.559 1.00 0.00 C ATOM 1560 O ALA A 98 -8.977 3.841 28.409 1.00 0.00 O ATOM 1561 CB ALA A 98 -6.178 5.000 28.477 1.00 0.00 C ATOM 0 H ALA A 98 -7.975 6.730 28.138 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.668 4.921 26.385 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.615 4.067 28.473 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.493 5.837 28.343 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.699 5.106 29.429 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.835 2.735 26.788 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.548 1.502 26.933 1.00 0.00 C ATOM 1569 C GLY A 99 -7.529 0.421 26.827 1.00 0.00 C ATOM 1570 O GLY A 99 -6.331 0.689 26.741 1.00 0.00 O ATOM 0 H GLY A 99 -7.126 2.721 26.055 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.062 1.460 27.893 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -9.308 1.398 26.159 1.00 0.00 H new ATOM 1574 N PHE A 100 -8.000 -0.840 26.830 1.00 0.00 N ATOM 1575 CA PHE A 100 -7.131 -1.970 26.691 1.00 0.00 C ATOM 1576 C PHE A 100 -8.046 -3.045 26.214 1.00 0.00 C ATOM 1577 O PHE A 100 -8.863 -3.557 26.979 1.00 0.00 O ATOM 1578 CB PHE A 100 -6.511 -2.406 28.045 1.00 0.00 C ATOM 1579 CG PHE A 100 -5.434 -3.443 27.927 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -4.139 -3.033 27.717 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -5.652 -4.791 28.162 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -3.073 -3.893 27.752 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -4.588 -5.677 28.188 1.00 0.00 C ATOM 1584 CZ PHE A 100 -3.292 -5.232 27.988 1.00 0.00 C ATOM 0 H PHE A 100 -8.987 -1.078 26.929 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.293 -1.752 26.028 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -6.100 -1.527 28.542 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.303 -2.793 28.686 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.954 -1.988 27.516 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.656 -5.152 28.326 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.070 -3.524 27.596 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.771 -6.726 28.366 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.464 -5.925 28.017 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.946 -3.397 24.919 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.851 -4.357 24.363 1.00 0.00 C ATOM 1596 C ARG A 101 -8.213 -4.968 23.167 1.00 0.00 C ATOM 1597 O ARG A 101 -7.165 -4.530 22.691 1.00 0.00 O ATOM 1598 CB ARG A 101 -10.253 -3.807 23.993 1.00 0.00 C ATOM 1599 CG ARG A 101 -10.261 -2.533 23.135 1.00 0.00 C ATOM 1600 CD ARG A 101 -11.689 -2.060 22.826 1.00 0.00 C ATOM 1601 NE ARG A 101 -11.660 -0.628 22.399 1.00 0.00 N ATOM 1602 CZ ARG A 101 -11.671 0.407 23.293 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -11.674 0.172 24.638 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -11.673 1.693 22.833 1.00 0.00 N ATOM 0 H ARG A 101 -7.254 -3.026 24.268 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.039 -5.092 25.146 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.800 -4.585 23.461 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.800 -3.606 24.914 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -9.721 -1.742 23.655 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -9.731 -2.721 22.201 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.125 -2.676 22.040 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -12.320 -2.175 23.707 1.00 0.00 H new ATOM 0 HE ARG A 101 -11.631 -0.414 21.402 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -11.668 -0.786 24.988 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -11.682 0.954 25.292 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -11.666 1.876 21.830 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -11.681 2.471 23.493 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.861 -6.048 22.694 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.398 -6.865 21.620 1.00 0.00 C ATOM 1620 C ASN A 102 -8.675 -6.186 20.320 1.00 0.00 C ATOM 1621 O ASN A 102 -9.766 -5.668 20.082 1.00 0.00 O ATOM 1622 CB ASN A 102 -9.010 -8.284 21.649 1.00 0.00 C ATOM 1623 CG ASN A 102 -10.479 -8.292 22.086 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -10.814 -8.163 23.268 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -11.370 -8.520 21.076 1.00 0.00 N ATOM 0 H ASN A 102 -9.750 -6.365 23.081 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.322 -6.995 21.738 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -8.929 -8.729 20.657 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -8.431 -8.910 22.328 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.367 -8.591 21.281 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.039 -8.619 20.116 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.628 -6.170 19.469 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.599 -5.411 18.255 1.00 0.00 C ATOM 1634 C VAL A 103 -8.040 -6.297 17.134 1.00 0.00 C ATOM 1635 O VAL A 103 -7.652 -7.461 17.072 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.232 -4.805 17.963 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.860 -3.899 19.152 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.145 -5.878 17.743 1.00 0.00 C ATOM 0 H VAL A 103 -6.774 -6.704 19.633 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.278 -4.565 18.364 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.287 -4.235 17.036 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.884 -3.448 18.974 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.608 -3.114 19.259 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.824 -4.493 20.065 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.191 -5.393 17.539 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.055 -6.493 18.638 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.421 -6.507 16.897 1.00 0.00 H new ATOM 1648 N VAL A 104 -8.863 -5.751 16.212 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.246 -6.465 15.026 1.00 0.00 C ATOM 1650 C VAL A 104 -8.386 -5.905 13.942 1.00 0.00 C ATOM 1651 O VAL A 104 -8.723 -4.878 13.358 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.700 -6.277 14.627 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -11.006 -7.001 13.300 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.585 -6.874 15.728 1.00 0.00 C ATOM 0 H VAL A 104 -9.263 -4.816 16.288 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.123 -7.534 15.201 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.897 -5.213 14.497 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.053 -6.851 13.037 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.372 -6.597 12.511 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.810 -8.067 13.414 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.634 -6.749 15.460 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.363 -7.935 15.838 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.388 -6.363 16.670 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.258 -6.574 13.636 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.422 -6.122 12.549 1.00 0.00 C ATOM 1666 C VAL A 105 -6.892 -6.869 11.334 1.00 0.00 C ATOM 1667 O VAL A 105 -7.150 -8.070 11.402 1.00 0.00 O ATOM 1668 CB VAL A 105 -4.928 -6.248 12.755 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.534 -5.297 13.900 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.465 -7.687 13.032 1.00 0.00 C ATOM 0 H VAL A 105 -6.925 -7.407 14.122 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.537 -5.042 12.453 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.423 -5.971 11.830 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.460 -5.363 14.075 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.795 -4.274 13.629 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.068 -5.580 14.808 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.384 -7.701 13.169 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.950 -8.058 13.935 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.732 -8.324 12.189 1.00 0.00 H new ATOM 1680 N ALA A 106 -7.019 -6.162 10.190 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.319 -6.799 8.934 1.00 0.00 C ATOM 1682 C ALA A 106 -6.009 -7.269 8.421 1.00 0.00 C ATOM 1683 O ALA A 106 -5.011 -6.584 8.626 1.00 0.00 O ATOM 1684 CB ALA A 106 -7.900 -5.860 7.872 1.00 0.00 C ATOM 0 H ALA A 106 -6.914 -5.149 10.133 1.00 0.00 H new ATOM 0 HA ALA A 106 -8.066 -7.573 9.109 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.096 -6.421 6.958 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.830 -5.427 8.239 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.187 -5.063 7.662 1.00 0.00 H new ATOM 1690 N CYS A 107 -5.982 -8.446 7.761 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.733 -9.062 7.413 1.00 0.00 C ATOM 1692 C CYS A 107 -4.776 -9.584 6.019 1.00 0.00 C ATOM 1693 O CYS A 107 -5.753 -10.205 5.601 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.409 -10.249 8.333 1.00 0.00 C ATOM 1695 SG CYS A 107 -2.896 -11.103 7.856 1.00 0.00 S ATOM 0 H CYS A 107 -6.811 -8.965 7.472 1.00 0.00 H new ATOM 0 HA CYS A 107 -3.969 -8.292 7.518 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.313 -9.893 9.359 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -5.240 -10.954 8.317 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.667 -9.343 5.287 1.00 0.00 N ATOM 1701 CA GLU A 108 -3.440 -9.903 3.989 1.00 0.00 C ATOM 1702 C GLU A 108 -2.083 -10.526 4.075 1.00 0.00 C ATOM 1703 O GLU A 108 -1.143 -9.884 4.532 1.00 0.00 O ATOM 1704 CB GLU A 108 -3.414 -8.818 2.893 1.00 0.00 C ATOM 1705 CG GLU A 108 -3.302 -9.358 1.462 1.00 0.00 C ATOM 1706 CD GLU A 108 -3.300 -8.165 0.517 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -2.353 -7.337 0.608 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -4.245 -8.065 -0.309 1.00 0.00 O ATOM 0 H GLU A 108 -2.909 -8.742 5.609 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.232 -10.604 3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.322 -8.219 2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.574 -8.150 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.389 -9.941 1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.136 -10.023 1.237 1.00 0.00 H new ATOM 1715 N ASN A 109 -1.953 -11.792 3.616 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.717 -12.530 3.432 1.00 0.00 C ATOM 1717 C ASN A 109 0.088 -12.843 4.670 1.00 0.00 C ATOM 1718 O ASN A 109 1.284 -13.121 4.571 1.00 0.00 O ATOM 1719 CB ASN A 109 0.225 -12.020 2.295 1.00 0.00 C ATOM 1720 CG ASN A 109 0.924 -10.664 2.519 1.00 0.00 C ATOM 1721 OD1 ASN A 109 1.880 -10.538 3.293 1.00 0.00 O ATOM 1722 ND2 ASN A 109 0.443 -9.630 1.764 1.00 0.00 N ATOM 0 H ASN A 109 -2.769 -12.345 3.353 1.00 0.00 H new ATOM 0 HA ASN A 109 -1.146 -13.476 3.102 1.00 0.00 H new ATOM 0 HB2 ASN A 109 0.994 -12.774 2.129 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.358 -11.952 1.377 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.876 -8.709 1.826 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -0.349 -9.780 1.138 1.00 0.00 H new ATOM 1729 N GLY A 110 -0.536 -12.832 5.869 1.00 0.00 N ATOM 1730 CA GLY A 110 0.174 -13.125 7.087 1.00 0.00 C ATOM 1731 C GLY A 110 0.777 -11.866 7.628 1.00 0.00 C ATOM 1732 O GLY A 110 1.712 -11.918 8.426 1.00 0.00 O ATOM 0 H GLY A 110 -1.526 -12.622 5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.505 -13.560 7.820 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.954 -13.862 6.898 1.00 0.00 H new ATOM 1736 N LEU A 111 0.251 -10.705 7.184 1.00 0.00 N ATOM 1737 CA LEU A 111 0.840 -9.439 7.510 1.00 0.00 C ATOM 1738 C LEU A 111 -0.303 -8.457 7.674 1.00 0.00 C ATOM 1739 O LEU A 111 -1.023 -8.261 6.698 1.00 0.00 O ATOM 1740 CB LEU A 111 1.760 -9.027 6.354 1.00 0.00 C ATOM 1741 CG LEU A 111 2.603 -7.777 6.546 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.944 -8.195 7.170 1.00 0.00 C ATOM 1743 CD2 LEU A 111 2.797 -7.073 5.199 1.00 0.00 C ATOM 0 H LEU A 111 -0.582 -10.644 6.599 1.00 0.00 H new ATOM 0 HA LEU A 111 1.432 -9.474 8.425 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.433 -9.859 6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.144 -8.885 5.466 1.00 0.00 H new ATOM 0 HG LEU A 111 2.109 -7.071 7.213 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.567 -7.313 7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.764 -8.677 8.131 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.453 -8.892 6.505 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.402 -6.177 5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.302 -7.746 4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.825 -6.794 4.791 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.533 -7.833 8.829 1.00 0.00 N ATOM 1756 CA PRO A 112 -1.733 -7.057 9.044 1.00 0.00 C ATOM 1757 C PRO A 112 -1.709 -5.778 8.253 1.00 0.00 C ATOM 1758 O PRO A 112 -0.842 -4.952 8.489 1.00 0.00 O ATOM 1759 CB PRO A 112 -1.716 -6.752 10.535 1.00 0.00 C ATOM 1760 CG PRO A 112 -1.056 -7.981 11.145 1.00 0.00 C ATOM 1761 CD PRO A 112 -0.022 -8.358 10.087 1.00 0.00 C ATOM 0 HA PRO A 112 -2.627 -7.593 8.726 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -1.152 -5.845 10.752 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.723 -6.602 10.925 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.591 -7.758 12.105 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.773 -8.784 11.317 1.00 0.00 H new ATOM 0 HD2 PRO A 112 0.952 -7.930 10.322 1.00 0.00 H new ATOM 0 HD3 PRO A 112 0.109 -9.439 10.035 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.656 -5.575 7.320 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.633 -4.420 6.467 1.00 0.00 C ATOM 1771 C VAL A 113 -3.400 -3.263 7.039 1.00 0.00 C ATOM 1772 O VAL A 113 -3.109 -2.119 6.696 1.00 0.00 O ATOM 1773 CB VAL A 113 -3.140 -4.690 5.066 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.970 -5.244 4.234 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -4.329 -5.668 5.102 1.00 0.00 C ATOM 0 H VAL A 113 -3.438 -6.208 7.154 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.576 -4.160 6.406 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.504 -3.771 4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.310 -5.447 3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -1.164 -4.511 4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.607 -6.167 4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.681 -5.851 4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.012 -6.609 5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.137 -5.237 5.694 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.410 -3.521 7.899 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.275 -2.461 8.362 1.00 0.00 C ATOM 1787 C HIS A 114 -5.729 -2.813 9.740 1.00 0.00 C ATOM 1788 O HIS A 114 -5.178 -3.714 10.370 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.567 -2.258 7.541 1.00 0.00 C ATOM 1790 CG HIS A 114 -6.408 -2.327 6.055 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -6.606 -3.366 5.212 1.00 0.00 N flip ATOM 1792 CD2 HIS A 114 -6.024 -1.257 5.299 1.00 0.00 C flip ATOM 1793 CE1 HIS A 114 -6.339 -2.914 3.948 1.00 0.00 C flip ATOM 1794 NE2 HIS A 114 -5.991 -1.636 4.028 1.00 0.00 N flip ATOM 0 H HIS A 114 -4.629 -4.445 8.271 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.685 -1.548 8.285 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -7.292 -3.013 7.846 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.990 -1.287 7.798 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -5.788 -0.271 5.672 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -6.401 -3.497 3.041 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -5.739 -1.041 3.239 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.766 -2.092 10.224 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.331 -2.270 11.530 1.00 0.00 C ATOM 1805 C LEU A 115 -8.657 -1.594 11.462 1.00 0.00 C ATOM 1806 O LEU A 115 -8.778 -0.475 10.962 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.382 -1.672 12.588 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.801 -1.284 14.028 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -7.272 0.177 14.077 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -7.605 -2.349 14.793 1.00 0.00 C ATOM 0 H LEU A 115 -7.226 -1.359 9.684 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.460 -3.312 11.822 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.563 -2.383 12.694 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.965 -0.769 12.142 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.915 -1.297 14.663 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.562 0.432 15.096 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.462 0.832 13.756 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.127 0.306 13.413 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.847 -1.977 15.788 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.526 -2.567 14.253 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.012 -3.259 14.880 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.683 -2.302 11.974 1.00 0.00 N ATOM 1823 CA ASP A 116 -11.036 -1.834 12.008 1.00 0.00 C ATOM 1824 C ASP A 116 -11.195 -0.930 13.184 1.00 0.00 C ATOM 1825 O ASP A 116 -10.674 -1.189 14.268 1.00 0.00 O ATOM 1826 CB ASP A 116 -12.070 -2.961 12.187 1.00 0.00 C ATOM 1827 CG ASP A 116 -12.095 -3.843 10.944 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -11.084 -4.548 10.682 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -13.141 -3.830 10.242 1.00 0.00 O ATOM 0 H ASP A 116 -9.566 -3.231 12.378 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.217 -1.343 11.052 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.821 -3.559 13.063 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -13.058 -2.536 12.362 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.969 0.156 12.984 1.00 0.00 N ATOM 1835 CA GLN A 117 -12.240 1.124 14.007 1.00 0.00 C ATOM 1836 C GLN A 117 -13.661 0.880 14.462 1.00 0.00 C ATOM 1837 O GLN A 117 -14.423 1.827 14.652 1.00 0.00 O ATOM 1838 CB GLN A 117 -12.220 2.580 13.471 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.998 2.986 12.620 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.688 3.013 13.412 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -9.775 3.369 14.726 1.00 0.00 O flip ATOM 1842 NE2 GLN A 117 -8.620 2.753 12.845 1.00 0.00 N flip ATOM 0 H GLN A 117 -12.416 0.366 12.092 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.483 1.019 14.784 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -13.118 2.735 12.873 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.282 3.258 14.323 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.897 2.290 11.788 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -11.175 3.972 12.191 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -8.616 2.492 11.859 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -7.743 2.799 13.363 1.00 0.00 H new ATOM 1851 N SER A 118 -14.061 -0.404 14.627 1.00 0.00 N ATOM 1852 CA SER A 118 -15.419 -0.768 14.942 1.00 0.00 C ATOM 1853 C SER A 118 -15.495 -0.934 16.419 1.00 0.00 C ATOM 1854 O SER A 118 -16.533 -0.713 17.041 1.00 0.00 O ATOM 1855 CB SER A 118 -15.845 -2.100 14.306 1.00 0.00 C ATOM 1856 OG SER A 118 -15.786 -2.004 12.891 1.00 0.00 O ATOM 0 H SER A 118 -13.431 -1.202 14.540 1.00 0.00 H new ATOM 0 HA SER A 118 -16.077 0.010 14.556 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.193 -2.902 14.652 1.00 0.00 H new ATOM 0 HB3 SER A 118 -16.857 -2.355 14.619 1.00 0.00 H new ATOM 0 HG SER A 118 -16.057 -2.858 12.494 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.344 -1.325 16.994 1.00 0.00 N ATOM 1863 CA ILE A 119 -14.103 -1.363 18.403 1.00 0.00 C ATOM 1864 C ILE A 119 -13.835 0.002 18.893 1.00 0.00 C ATOM 1865 O ILE A 119 -14.150 0.345 20.033 1.00 0.00 O ATOM 1866 CB ILE A 119 -12.887 -2.175 18.777 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -11.889 -2.355 17.606 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -13.415 -3.472 19.373 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -10.688 -3.233 17.952 1.00 0.00 C ATOM 0 H ILE A 119 -13.539 -1.631 16.447 1.00 0.00 H new ATOM 0 HA ILE A 119 -14.993 -1.813 18.843 1.00 0.00 H new ATOM 0 HB ILE A 119 -12.274 -1.656 19.515 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -12.414 -2.792 16.757 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.532 -1.375 17.290 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -12.578 -4.106 19.665 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -14.024 -3.249 20.249 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -14.023 -3.992 18.632 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -10.034 -3.313 17.084 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -10.138 -2.787 18.781 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -11.034 -4.226 18.239 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.207 0.805 18.017 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.711 2.094 18.355 1.00 0.00 C ATOM 1883 C PHE A 120 -13.638 3.088 17.745 1.00 0.00 C ATOM 1884 O PHE A 120 -13.217 4.104 17.199 1.00 0.00 O ATOM 1885 CB PHE A 120 -11.305 2.302 17.783 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.366 1.193 18.175 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.419 0.533 19.399 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.371 0.823 17.286 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -9.461 -0.394 19.749 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.429 -0.111 17.637 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.453 -0.710 18.871 1.00 0.00 C ATOM 0 H PHE A 120 -13.041 0.546 17.045 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.654 2.204 19.438 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.361 2.362 16.696 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.908 3.254 18.135 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.224 0.751 20.086 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.336 1.274 16.306 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.503 -0.873 20.716 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.657 -0.379 16.931 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.689 -1.421 19.149 1.00 0.00 H new