USER MOD reduce.3.24.130724 H: found=0, std=0, add=1588, rem=0, adj=58 USER MOD reduce.3.24.130724 removed 1592 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: B 79 MET CE :methyl 173:sc= -1.49 (180deg=-1.6!) USER MOD Set 1.2: Y 111 LYS NZ :NH3+ -120:sc= -2.11 (180deg=-2.73!) USER MOD Set 2.1: A 79 MET CE :methyl 174:sc= -1.41 (180deg=-1.65!) USER MOD Set 2.2: X 111 LYS NZ :NH3+ -120:sc= -1.84 (180deg=-2.79!) USER MOD Set 3.1: B 33 LYS NZ :NH3+ -161:sc= 1.05 (180deg=-0.234) USER MOD Set 3.2: B 37 ASN :FLIP amide:sc= -15.7! C(o=-17!,f=-15!) USER MOD Set 4.1: B 25 HIS : no HD1:sc= -0.0287 X(o=-0.28,f=-0.3) USER MOD Set 4.2: B 26 LYS NZ :NH3+ -157:sc= -0.249 (180deg=-1.06) USER MOD Set 5.1: A 81 THR OG1 : rot 93:sc= 0.625 USER MOD Set 5.2: B 7 MET CE :methyl 157:sc= -1.22 (180deg=-2.24) USER MOD Set 6.1: A 78 SER OG : rot -130:sc= -0.606 USER MOD Set 6.2: B 74 MET CE :methyl -159:sc= -4.04! (180deg=-5.88!) USER MOD Set 7.1: A 74 MET CE :methyl -162:sc= -4.27! (180deg=-6.54!) USER MOD Set 7.2: B 78 SER OG : rot -130:sc= -0.581 USER MOD Set 8.1: A 33 LYS NZ :NH3+ -154:sc= 0.877 (180deg=-0.245) USER MOD Set 8.2: A 37 ASN :FLIP amide:sc= -15.8! C(o=-18!,f=-15!) USER MOD Set 9.1: A 7 MET CE :methyl 157:sc= -1.07 (180deg=-2.03) USER MOD Set 9.2: B 81 THR OG1 : rot 94:sc= 0.515 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -162:sc= -0.0614 (180deg=-0.418) USER MOD Single : A 1 SER OG : rot -15:sc= 0.185 USER MOD Single : A 5 LYS NZ :NH3+ -139:sc= -0.621 (180deg=-1.32) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.0756 X(o=-0.076,f=-0.24) USER MOD Single : A 17 TYR OH : rot 3:sc= 0.777 USER MOD Single : A 18 SER OG : rot -67:sc= -0.102 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.0502 X(o=-0.05,f=-0.055) USER MOD Single : A 26 LYS NZ :NH3+ -160:sc= -0.185 (180deg=-1.1) USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.177) USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= -0.183 (180deg=-0.904) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0721 F(o=-1.9!,f=-0.072) USER MOD Single : A 41 SER OG : rot 180:sc= -0.159 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -4.15! C(o=-4.2!,f=-7.8!) USER MOD Single : A 55 LYS NZ :NH3+ 160:sc= -0.0337 (180deg=-0.333) USER MOD Single : A 57 MET CE :methyl -110:sc= -4.61! (180deg=-9.15!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 44:sc= -0.119 USER MOD Single : A 71 GLN : amide:sc= -0.0575 K(o=-0.057,f=-1.9!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 84 CYS SG : rot 59:sc= -0.448 USER MOD Single : A 85 HIS : no HD1:sc= -0.0535 X(o=-0.054,f=-0.057) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ -167:sc= -0.131 (180deg=-0.405) USER MOD Single : B 1 SER OG : rot -10:sc= 0.18 USER MOD Single : B 5 LYS NZ :NH3+ -142:sc= -0.501 (180deg=-1.13) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : B 16 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.31) USER MOD Single : B 17 TYR OH : rot -20:sc= 0.799 USER MOD Single : B 18 SER OG : rot -68:sc= -0.0999 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.166) USER MOD Single : B 29 LYS NZ :NH3+ 153:sc= -0.226 (180deg=-1.02) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 38 ASN :FLIP amide:sc= -0.0637 F(o=-1.9!,f=-0.064) USER MOD Single : B 41 SER OG : rot 180:sc= -0.223 USER MOD Single : B 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= -4.06! C(o=-4.1!,f=-7.3!) USER MOD Single : B 55 LYS NZ :NH3+ 160:sc= -0.0386 (180deg=-0.492) USER MOD Single : B 57 MET CE :methyl -110:sc= -4.44! (180deg=-9.14!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 CYS SG : rot 46:sc= -0.121 USER MOD Single : B 71 GLN : amide:sc= -0.0394 K(o=-0.039,f=-2!) USER MOD Single : B 82 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : B 84 CYS SG : rot 56:sc= -0.529 USER MOD Single : B 85 HIS : no HD1:sc= -0.0579 X(o=-0.058,f=-0.03) USER MOD Single : X 105 HIS :FLIP no HD1:sc= -2.3! C(o=-5!,f=-2.3!) USER MOD Single : X 106 LYS NZ :NH3+ -129:sc= 0.616 (180deg=-0.792) USER MOD Single : X 107 LYS NZ :NH3+ 135:sc= -0.227 (180deg=-1.05) USER MOD Single : X 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 112 THR OG1 : rot 169:sc= 0.425 USER MOD Single : Y 105 HIS :FLIP no HE2:sc= -2.3! C(o=-4.6!,f=-2.3!) USER MOD Single : Y 106 LYS NZ :NH3+ -126:sc= 0.567 (180deg=-0.682) USER MOD Single : Y 107 LYS NZ :NH3+ 155:sc= -0.207 (180deg=-1.07) USER MOD Single : Y 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : Y 112 THR OG1 : rot 168:sc= 0.459 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 3.056 -2.091 -11.871 1.00 0.00 N ATOM 2 CA MET A 0 2.547 -2.807 -13.075 1.00 0.00 C ATOM 3 C MET A 0 1.288 -2.104 -13.586 1.00 0.00 C ATOM 4 O MET A 0 0.185 -2.427 -13.192 1.00 0.00 O ATOM 5 CB MET A 0 2.204 -4.248 -12.695 1.00 0.00 C ATOM 6 CG MET A 0 3.486 -5.003 -12.340 1.00 0.00 C ATOM 7 SD MET A 0 3.071 -6.691 -11.838 1.00 0.00 S ATOM 8 CE MET A 0 4.754 -7.236 -11.460 1.00 0.00 C ATOM 0 H1 MET A 0 4.047 -2.358 -11.701 1.00 0.00 H new ATOM 0 H2 MET A 0 2.996 -1.064 -12.026 1.00 0.00 H new ATOM 0 H3 MET A 0 2.481 -2.350 -11.044 1.00 0.00 H new ATOM 0 HA MET A 0 3.309 -2.804 -13.855 1.00 0.00 H new ATOM 0 HB2 MET A 0 1.518 -4.258 -11.848 1.00 0.00 H new ATOM 0 HB3 MET A 0 1.696 -4.742 -13.523 1.00 0.00 H new ATOM 0 HG2 MET A 0 4.159 -5.022 -13.197 1.00 0.00 H new ATOM 0 HG3 MET A 0 4.011 -4.491 -11.534 1.00 0.00 H new ATOM 0 HE1 MET A 0 4.734 -8.273 -11.124 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.372 -7.157 -12.355 1.00 0.00 H new ATOM 0 HE3 MET A 0 5.172 -6.608 -10.674 1.00 0.00 H new ATOM 20 N SER A 1 1.440 -1.144 -14.457 1.00 0.00 N ATOM 21 CA SER A 1 0.241 -0.423 -14.985 1.00 0.00 C ATOM 22 C SER A 1 -0.633 0.045 -13.821 1.00 0.00 C ATOM 23 O SER A 1 -1.742 0.507 -14.008 1.00 0.00 O ATOM 24 CB SER A 1 -0.569 -1.363 -15.881 1.00 0.00 C ATOM 25 OG SER A 1 -1.269 -2.297 -15.070 1.00 0.00 O ATOM 0 H SER A 1 2.337 -0.827 -14.826 1.00 0.00 H new ATOM 0 HA SER A 1 0.568 0.441 -15.563 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.272 -0.791 -16.486 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.093 -1.887 -16.571 1.00 0.00 H new ATOM 0 HG SER A 1 -0.899 -2.284 -14.162 1.00 0.00 H new ATOM 31 N GLU A 2 -0.132 -0.051 -12.625 1.00 0.00 N ATOM 32 CA GLU A 2 -0.906 0.405 -11.442 1.00 0.00 C ATOM 33 C GLU A 2 -0.871 1.929 -11.401 1.00 0.00 C ATOM 34 O GLU A 2 -1.115 2.543 -10.382 1.00 0.00 O ATOM 35 CB GLU A 2 -0.277 -0.168 -10.169 1.00 0.00 C ATOM 36 CG GLU A 2 1.149 0.368 -10.012 1.00 0.00 C ATOM 37 CD GLU A 2 1.837 -0.353 -8.852 1.00 0.00 C ATOM 38 OE1 GLU A 2 1.149 -0.700 -7.906 1.00 0.00 O ATOM 39 OE2 GLU A 2 3.041 -0.540 -8.925 1.00 0.00 O ATOM 0 H GLU A 2 0.791 -0.430 -12.414 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.938 0.061 -11.509 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.876 0.106 -9.301 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.263 -1.257 -10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.710 0.215 -10.934 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.127 1.442 -9.826 1.00 0.00 H new ATOM 46 N LEU A 3 -0.553 2.543 -12.504 1.00 0.00 N ATOM 47 CA LEU A 3 -0.479 4.021 -12.540 1.00 0.00 C ATOM 48 C LEU A 3 -1.839 4.603 -12.176 1.00 0.00 C ATOM 49 O LEU A 3 -1.929 5.612 -11.516 1.00 0.00 O ATOM 50 CB LEU A 3 -0.069 4.477 -13.943 1.00 0.00 C ATOM 51 CG LEU A 3 0.056 6.023 -13.993 1.00 0.00 C ATOM 52 CD1 LEU A 3 1.273 6.422 -14.837 1.00 0.00 C ATOM 53 CD2 LEU A 3 -1.209 6.636 -14.610 1.00 0.00 C ATOM 0 H LEU A 3 -0.340 2.078 -13.386 1.00 0.00 H new ATOM 0 HA LEU A 3 0.263 4.371 -11.822 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.881 4.020 -14.218 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.807 4.141 -14.672 1.00 0.00 H new ATOM 0 HG LEU A 3 0.179 6.395 -12.976 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.354 7.509 -14.867 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.176 6.003 -14.394 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.155 6.038 -15.850 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.110 7.721 -14.640 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.341 6.256 -15.623 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.075 6.367 -14.006 1.00 0.00 H new ATOM 65 N GLU A 4 -2.898 3.983 -12.611 1.00 0.00 N ATOM 66 CA GLU A 4 -4.255 4.516 -12.290 1.00 0.00 C ATOM 67 C GLU A 4 -4.434 4.550 -10.771 1.00 0.00 C ATOM 68 O GLU A 4 -5.011 5.467 -10.226 1.00 0.00 O ATOM 69 CB GLU A 4 -5.321 3.619 -12.935 1.00 0.00 C ATOM 70 CG GLU A 4 -5.256 2.210 -12.335 1.00 0.00 C ATOM 71 CD GLU A 4 -6.236 1.295 -13.072 1.00 0.00 C ATOM 72 OE1 GLU A 4 -7.133 1.815 -13.715 1.00 0.00 O ATOM 73 OE2 GLU A 4 -6.072 0.089 -12.982 1.00 0.00 O ATOM 0 H GLU A 4 -2.886 3.132 -13.174 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.362 5.527 -12.683 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.311 4.045 -12.776 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.164 3.572 -14.013 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.243 1.815 -12.415 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.502 2.244 -11.274 1.00 0.00 H new ATOM 80 N LYS A 5 -3.927 3.567 -10.088 1.00 0.00 N ATOM 81 CA LYS A 5 -4.042 3.542 -8.600 1.00 0.00 C ATOM 82 C LYS A 5 -3.320 4.751 -8.012 1.00 0.00 C ATOM 83 O LYS A 5 -3.775 5.349 -7.063 1.00 0.00 O ATOM 84 CB LYS A 5 -3.373 2.264 -8.087 1.00 0.00 C ATOM 85 CG LYS A 5 -3.437 2.179 -6.550 1.00 0.00 C ATOM 86 CD LYS A 5 -2.416 1.145 -6.049 1.00 0.00 C ATOM 87 CE LYS A 5 -0.974 1.631 -6.317 1.00 0.00 C ATOM 88 NZ LYS A 5 -0.075 1.126 -5.240 1.00 0.00 N ATOM 0 H LYS A 5 -3.434 2.773 -10.496 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.091 3.569 -8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.864 1.394 -8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.333 2.239 -8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.226 3.155 -6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.441 1.897 -6.233 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.556 0.975 -4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.582 0.190 -6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.632 1.274 -7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.945 2.720 -6.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.595 1.874 -4.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.643 0.853 -4.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.452 0.299 -5.587 1.00 0.00 H new ATOM 102 N ALA A 6 -2.182 5.087 -8.541 1.00 0.00 N ATOM 103 CA ALA A 6 -1.417 6.235 -7.983 1.00 0.00 C ATOM 104 C ALA A 6 -2.159 7.546 -8.228 1.00 0.00 C ATOM 105 O ALA A 6 -2.187 8.414 -7.385 1.00 0.00 O ATOM 106 CB ALA A 6 -0.030 6.289 -8.628 1.00 0.00 C ATOM 0 H ALA A 6 -1.747 4.618 -9.335 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.311 6.097 -6.907 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.529 7.130 -8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.504 5.362 -8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.135 6.413 -9.706 1.00 0.00 H new ATOM 112 N MET A 7 -2.745 7.702 -9.374 1.00 0.00 N ATOM 113 CA MET A 7 -3.472 8.964 -9.673 1.00 0.00 C ATOM 114 C MET A 7 -4.636 9.134 -8.700 1.00 0.00 C ATOM 115 O MET A 7 -4.920 10.216 -8.218 1.00 0.00 O ATOM 116 CB MET A 7 -4.011 8.890 -11.101 1.00 0.00 C ATOM 117 CG MET A 7 -2.848 8.948 -12.090 1.00 0.00 C ATOM 118 SD MET A 7 -3.499 9.172 -13.764 1.00 0.00 S ATOM 119 CE MET A 7 -2.184 10.247 -14.393 1.00 0.00 C ATOM 0 H MET A 7 -2.754 7.009 -10.122 1.00 0.00 H new ATOM 0 HA MET A 7 -2.796 9.813 -9.569 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.575 7.968 -11.241 1.00 0.00 H new ATOM 0 HB3 MET A 7 -4.699 9.715 -11.284 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.179 9.769 -11.835 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.262 8.030 -12.035 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.151 10.183 -15.481 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.383 11.277 -14.096 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.226 9.929 -13.981 1.00 0.00 H new ATOM 129 N VAL A 8 -5.302 8.063 -8.410 1.00 0.00 N ATOM 130 CA VAL A 8 -6.452 8.111 -7.473 1.00 0.00 C ATOM 131 C VAL A 8 -5.949 8.431 -6.069 1.00 0.00 C ATOM 132 O VAL A 8 -6.601 9.107 -5.305 1.00 0.00 O ATOM 133 CB VAL A 8 -7.167 6.754 -7.483 1.00 0.00 C ATOM 134 CG1 VAL A 8 -8.194 6.695 -6.347 1.00 0.00 C ATOM 135 CG2 VAL A 8 -7.886 6.572 -8.825 1.00 0.00 C ATOM 0 H VAL A 8 -5.097 7.138 -8.788 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.152 8.887 -7.783 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.433 5.960 -7.344 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.697 5.728 -6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.687 6.826 -5.391 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.929 7.489 -6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.396 5.609 -8.837 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.616 7.371 -8.958 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.158 6.607 -9.636 1.00 0.00 H new ATOM 145 N ALA A 9 -4.810 7.913 -5.719 1.00 0.00 N ATOM 146 CA ALA A 9 -4.265 8.147 -4.350 1.00 0.00 C ATOM 147 C ALA A 9 -3.888 9.616 -4.138 1.00 0.00 C ATOM 148 O ALA A 9 -4.104 10.164 -3.080 1.00 0.00 O ATOM 149 CB ALA A 9 -3.026 7.289 -4.149 1.00 0.00 C ATOM 0 H ALA A 9 -4.227 7.334 -6.323 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.039 7.882 -3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.625 7.457 -3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.289 6.237 -4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.274 7.556 -4.891 1.00 0.00 H new ATOM 155 N LEU A 10 -3.314 10.259 -5.116 1.00 0.00 N ATOM 156 CA LEU A 10 -2.924 11.687 -4.921 1.00 0.00 C ATOM 157 C LEU A 10 -4.175 12.493 -4.605 1.00 0.00 C ATOM 158 O LEU A 10 -4.167 13.377 -3.775 1.00 0.00 O ATOM 159 CB LEU A 10 -2.254 12.230 -6.203 1.00 0.00 C ATOM 160 CG LEU A 10 -0.729 12.166 -6.072 1.00 0.00 C ATOM 161 CD1 LEU A 10 -0.286 10.709 -5.966 1.00 0.00 C ATOM 162 CD2 LEU A 10 -0.087 12.814 -7.300 1.00 0.00 C ATOM 0 H LEU A 10 -3.099 9.865 -6.032 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.214 11.769 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.577 11.647 -7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.568 13.259 -6.378 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.416 12.701 -5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.799 10.664 -5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.745 10.252 -5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.596 10.169 -6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.998 12.770 -7.209 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.398 12.280 -8.198 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.403 13.855 -7.369 1.00 0.00 H new ATOM 174 N ILE A 11 -5.245 12.194 -5.267 1.00 0.00 N ATOM 175 CA ILE A 11 -6.505 12.933 -5.018 1.00 0.00 C ATOM 176 C ILE A 11 -7.064 12.597 -3.624 1.00 0.00 C ATOM 177 O ILE A 11 -7.599 13.451 -2.950 1.00 0.00 O ATOM 178 CB ILE A 11 -7.514 12.582 -6.121 1.00 0.00 C ATOM 179 CG1 ILE A 11 -7.070 13.257 -7.432 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.910 13.072 -5.730 1.00 0.00 C ATOM 181 CD1 ILE A 11 -7.783 12.620 -8.628 1.00 0.00 C ATOM 0 H ILE A 11 -5.304 11.464 -5.977 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.312 14.006 -5.040 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.550 11.501 -6.255 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.293 14.323 -7.393 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.991 13.161 -7.551 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.619 12.819 -6.518 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.216 12.594 -4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.891 14.153 -5.593 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.459 13.108 -9.547 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.538 11.559 -8.675 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.861 12.739 -8.515 1.00 0.00 H new ATOM 193 N ASP A 12 -6.976 11.365 -3.196 1.00 0.00 N ATOM 194 CA ASP A 12 -7.536 10.997 -1.857 1.00 0.00 C ATOM 195 C ASP A 12 -6.840 11.772 -0.724 1.00 0.00 C ATOM 196 O ASP A 12 -7.480 12.334 0.142 1.00 0.00 O ATOM 197 CB ASP A 12 -7.336 9.496 -1.631 1.00 0.00 C ATOM 198 CG ASP A 12 -7.973 9.081 -0.302 1.00 0.00 C ATOM 199 OD1 ASP A 12 -8.243 9.954 0.505 1.00 0.00 O ATOM 200 OD2 ASP A 12 -8.182 7.893 -0.115 1.00 0.00 O ATOM 0 H ASP A 12 -6.543 10.599 -3.711 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.595 11.253 -1.845 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.783 8.933 -2.450 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.272 9.259 -1.624 1.00 0.00 H new ATOM 205 N VAL A 13 -5.537 11.777 -0.715 1.00 0.00 N ATOM 206 CA VAL A 13 -4.772 12.477 0.369 1.00 0.00 C ATOM 207 C VAL A 13 -4.950 14.001 0.246 1.00 0.00 C ATOM 208 O VAL A 13 -5.076 14.707 1.228 1.00 0.00 O ATOM 209 CB VAL A 13 -3.274 12.045 0.264 1.00 0.00 C ATOM 210 CG1 VAL A 13 -2.350 13.233 -0.040 1.00 0.00 C ATOM 211 CG2 VAL A 13 -2.804 11.392 1.574 1.00 0.00 C ATOM 0 H VAL A 13 -4.957 11.321 -1.419 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.149 12.198 1.353 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.216 11.332 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.319 12.885 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.640 13.686 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.435 13.973 0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.758 11.099 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.909 12.103 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.411 10.510 1.779 1.00 0.00 H new ATOM 221 N PHE A 14 -4.945 14.510 -0.946 1.00 0.00 N ATOM 222 CA PHE A 14 -5.099 15.977 -1.128 1.00 0.00 C ATOM 223 C PHE A 14 -6.430 16.422 -0.539 1.00 0.00 C ATOM 224 O PHE A 14 -6.525 17.467 0.053 1.00 0.00 O ATOM 225 CB PHE A 14 -5.045 16.317 -2.622 1.00 0.00 C ATOM 226 CG PHE A 14 -5.405 17.771 -2.836 1.00 0.00 C ATOM 227 CD1 PHE A 14 -4.411 18.755 -2.797 1.00 0.00 C ATOM 228 CD2 PHE A 14 -6.736 18.132 -3.078 1.00 0.00 C ATOM 229 CE1 PHE A 14 -4.747 20.099 -2.997 1.00 0.00 C ATOM 230 CE2 PHE A 14 -7.072 19.476 -3.279 1.00 0.00 C ATOM 231 CZ PHE A 14 -6.078 20.460 -3.238 1.00 0.00 C ATOM 0 H PHE A 14 -4.841 13.974 -1.808 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.289 16.497 -0.616 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.046 16.120 -3.012 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.735 15.678 -3.174 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.384 18.477 -2.612 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.504 17.373 -3.110 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.979 20.858 -2.965 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.099 19.754 -3.466 1.00 0.00 H new ATOM 0 HZ PHE A 14 -6.337 21.497 -3.392 1.00 0.00 H new ATOM 241 N HIS A 15 -7.455 15.643 -0.700 1.00 0.00 N ATOM 242 CA HIS A 15 -8.779 16.026 -0.141 1.00 0.00 C ATOM 243 C HIS A 15 -8.721 16.035 1.391 1.00 0.00 C ATOM 244 O HIS A 15 -9.429 16.782 2.040 1.00 0.00 O ATOM 245 CB HIS A 15 -9.835 15.028 -0.619 1.00 0.00 C ATOM 246 CG HIS A 15 -11.174 15.386 -0.037 1.00 0.00 C ATOM 247 ND1 HIS A 15 -11.809 14.581 0.899 1.00 0.00 N ATOM 248 CD2 HIS A 15 -12.015 16.450 -0.250 1.00 0.00 C ATOM 249 CE1 HIS A 15 -12.980 15.167 1.210 1.00 0.00 C ATOM 250 NE2 HIS A 15 -13.152 16.306 0.538 1.00 0.00 N ATOM 0 H HIS A 15 -7.436 14.752 -1.197 1.00 0.00 H new ATOM 0 HA HIS A 15 -9.042 17.026 -0.485 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -9.888 15.034 -1.708 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -9.556 14.018 -0.319 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -11.823 17.271 -0.925 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -13.692 14.765 1.916 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -13.950 16.939 0.591 1.00 0.00 H new ATOM 259 N GLN A 16 -7.895 15.207 1.976 1.00 0.00 N ATOM 260 CA GLN A 16 -7.812 15.165 3.463 1.00 0.00 C ATOM 261 C GLN A 16 -7.393 16.538 4.014 1.00 0.00 C ATOM 262 O GLN A 16 -7.910 16.988 5.017 1.00 0.00 O ATOM 263 CB GLN A 16 -6.773 14.103 3.848 1.00 0.00 C ATOM 264 CG GLN A 16 -6.589 14.034 5.365 1.00 0.00 C ATOM 265 CD GLN A 16 -7.914 13.667 6.033 1.00 0.00 C ATOM 266 OE1 GLN A 16 -8.574 12.731 5.626 1.00 0.00 O ATOM 267 NE2 GLN A 16 -8.330 14.360 7.058 1.00 0.00 N ATOM 0 H GLN A 16 -7.276 14.560 1.488 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.785 14.916 3.886 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.088 13.129 3.473 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.819 14.334 3.373 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.829 13.294 5.615 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.235 14.994 5.741 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.777 15.146 7.401 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.208 14.116 7.516 1.00 0.00 H new ATOM 276 N TYR A 17 -6.458 17.205 3.382 1.00 0.00 N ATOM 277 CA TYR A 17 -6.006 18.548 3.893 1.00 0.00 C ATOM 278 C TYR A 17 -6.746 19.690 3.205 1.00 0.00 C ATOM 279 O TYR A 17 -6.811 20.786 3.719 1.00 0.00 O ATOM 280 CB TYR A 17 -4.502 18.698 3.670 1.00 0.00 C ATOM 281 CG TYR A 17 -3.808 17.834 4.679 1.00 0.00 C ATOM 282 CD1 TYR A 17 -3.799 16.456 4.499 1.00 0.00 C ATOM 283 CD2 TYR A 17 -3.213 18.402 5.810 1.00 0.00 C ATOM 284 CE1 TYR A 17 -3.200 15.636 5.443 1.00 0.00 C ATOM 285 CE2 TYR A 17 -2.602 17.582 6.759 1.00 0.00 C ATOM 286 CZ TYR A 17 -2.596 16.196 6.579 1.00 0.00 C ATOM 287 OH TYR A 17 -2.003 15.380 7.522 1.00 0.00 O ATOM 0 H TYR A 17 -5.986 16.883 2.537 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.232 18.599 4.958 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.233 18.397 2.658 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.200 19.739 3.784 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -4.259 16.023 3.623 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.226 19.473 5.948 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.198 14.565 5.304 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.135 18.017 7.630 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.052 14.447 7.225 1.00 0.00 H new ATOM 297 N SER A 18 -7.297 19.467 2.055 1.00 0.00 N ATOM 298 CA SER A 18 -8.011 20.576 1.372 1.00 0.00 C ATOM 299 C SER A 18 -9.097 21.083 2.316 1.00 0.00 C ATOM 300 O SER A 18 -9.326 22.270 2.443 1.00 0.00 O ATOM 301 CB SER A 18 -8.646 20.059 0.079 1.00 0.00 C ATOM 302 OG SER A 18 -9.873 19.411 0.384 1.00 0.00 O ATOM 0 H SER A 18 -7.287 18.576 1.559 1.00 0.00 H new ATOM 0 HA SER A 18 -7.320 21.381 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.820 20.886 -0.610 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.969 19.365 -0.420 1.00 0.00 H new ATOM 0 HG SER A 18 -9.694 18.596 0.899 1.00 0.00 H new ATOM 308 N GLY A 19 -9.753 20.184 2.995 1.00 0.00 N ATOM 309 CA GLY A 19 -10.816 20.591 3.959 1.00 0.00 C ATOM 310 C GLY A 19 -10.187 20.938 5.317 1.00 0.00 C ATOM 311 O GLY A 19 -10.724 20.599 6.353 1.00 0.00 O ATOM 0 H GLY A 19 -9.598 19.178 2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.361 21.451 3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.538 19.784 4.079 1.00 0.00 H new ATOM 315 N ARG A 20 -9.052 21.590 5.334 1.00 0.00 N ATOM 316 CA ARG A 20 -8.414 21.918 6.648 1.00 0.00 C ATOM 317 C ARG A 20 -9.190 23.051 7.338 1.00 0.00 C ATOM 318 O ARG A 20 -9.771 22.860 8.389 1.00 0.00 O ATOM 319 CB ARG A 20 -6.941 22.349 6.407 1.00 0.00 C ATOM 320 CG ARG A 20 -5.966 21.313 6.992 1.00 0.00 C ATOM 321 CD ARG A 20 -5.906 21.478 8.515 1.00 0.00 C ATOM 322 NE ARG A 20 -5.026 22.628 8.857 1.00 0.00 N ATOM 323 CZ ARG A 20 -5.110 23.184 10.035 1.00 0.00 C ATOM 324 NH1 ARG A 20 -5.965 22.732 10.912 1.00 0.00 N ATOM 325 NH2 ARG A 20 -4.341 24.195 10.332 1.00 0.00 N ATOM 0 H ARG A 20 -8.544 21.906 4.508 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.433 21.039 7.293 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.761 22.462 5.338 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.763 23.322 6.865 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.292 20.305 6.736 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.974 21.446 6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.907 21.642 8.913 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.525 20.566 8.975 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.358 22.981 8.172 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.568 21.944 10.677 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.030 23.167 11.832 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.676 24.549 9.644 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.405 24.631 11.252 1.00 0.00 H new ATOM 339 N GLU A 21 -9.201 24.224 6.755 1.00 0.00 N ATOM 340 CA GLU A 21 -9.936 25.381 7.369 1.00 0.00 C ATOM 341 C GLU A 21 -11.096 25.787 6.462 1.00 0.00 C ATOM 342 O GLU A 21 -12.028 26.440 6.887 1.00 0.00 O ATOM 343 CB GLU A 21 -8.987 26.573 7.532 1.00 0.00 C ATOM 344 CG GLU A 21 -7.879 26.214 8.525 1.00 0.00 C ATOM 345 CD GLU A 21 -6.931 27.405 8.689 1.00 0.00 C ATOM 346 OE1 GLU A 21 -7.147 28.406 8.025 1.00 0.00 O ATOM 347 OE2 GLU A 21 -6.009 27.297 9.480 1.00 0.00 O ATOM 0 H GLU A 21 -8.731 24.434 5.875 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.317 25.083 8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.553 26.840 6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.538 27.444 7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.313 25.946 9.488 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.327 25.343 8.171 1.00 0.00 H new ATOM 354 N GLY A 22 -11.051 25.406 5.212 1.00 0.00 N ATOM 355 CA GLY A 22 -12.155 25.773 4.276 1.00 0.00 C ATOM 356 C GLY A 22 -11.589 26.019 2.877 1.00 0.00 C ATOM 357 O GLY A 22 -12.320 26.066 1.907 1.00 0.00 O ATOM 0 H GLY A 22 -10.297 24.857 4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.896 24.975 4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.665 26.667 4.634 1.00 0.00 H new ATOM 361 N ASP A 23 -10.295 26.173 2.750 1.00 0.00 N ATOM 362 CA ASP A 23 -9.717 26.408 1.402 1.00 0.00 C ATOM 363 C ASP A 23 -9.701 25.080 0.641 1.00 0.00 C ATOM 364 O ASP A 23 -8.672 24.596 0.219 1.00 0.00 O ATOM 365 CB ASP A 23 -8.296 26.956 1.550 1.00 0.00 C ATOM 366 CG ASP A 23 -8.269 27.988 2.679 1.00 0.00 C ATOM 367 OD1 ASP A 23 -9.245 28.708 2.821 1.00 0.00 O ATOM 368 OD2 ASP A 23 -7.273 28.043 3.381 1.00 0.00 O ATOM 0 H ASP A 23 -9.623 26.146 3.517 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.315 27.134 0.851 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.601 26.144 1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.971 27.413 0.616 1.00 0.00 H new ATOM 373 N LYS A 24 -10.848 24.485 0.478 1.00 0.00 N ATOM 374 CA LYS A 24 -10.935 23.183 -0.241 1.00 0.00 C ATOM 375 C LYS A 24 -10.422 23.342 -1.677 1.00 0.00 C ATOM 376 O LYS A 24 -9.763 22.474 -2.213 1.00 0.00 O ATOM 377 CB LYS A 24 -12.399 22.737 -0.273 1.00 0.00 C ATOM 378 CG LYS A 24 -12.517 21.377 -0.966 1.00 0.00 C ATOM 379 CD LYS A 24 -13.941 20.831 -0.789 1.00 0.00 C ATOM 380 CE LYS A 24 -14.933 21.690 -1.582 1.00 0.00 C ATOM 381 NZ LYS A 24 -16.215 20.947 -1.743 1.00 0.00 N ATOM 0 H LYS A 24 -11.739 24.849 0.816 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.325 22.440 0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.790 22.672 0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.002 23.477 -0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.284 21.476 -2.026 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.794 20.679 -0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.988 19.797 -1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.211 20.830 0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.109 22.633 -1.064 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.518 21.936 -2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.888 21.529 -2.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.040 20.059 -2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.613 20.734 -0.806 1.00 0.00 H new ATOM 395 N HIS A 25 -10.747 24.436 -2.310 1.00 0.00 N ATOM 396 CA HIS A 25 -10.314 24.651 -3.722 1.00 0.00 C ATOM 397 C HIS A 25 -8.852 25.120 -3.793 1.00 0.00 C ATOM 398 O HIS A 25 -8.216 24.997 -4.821 1.00 0.00 O ATOM 399 CB HIS A 25 -11.228 25.704 -4.355 1.00 0.00 C ATOM 400 CG HIS A 25 -10.891 25.882 -5.811 1.00 0.00 C ATOM 401 ND1 HIS A 25 -11.037 24.859 -6.741 1.00 0.00 N ATOM 402 CD2 HIS A 25 -10.435 26.968 -6.518 1.00 0.00 C ATOM 403 CE1 HIS A 25 -10.678 25.350 -7.943 1.00 0.00 C ATOM 404 NE2 HIS A 25 -10.304 26.627 -7.859 1.00 0.00 N ATOM 0 H HIS A 25 -11.297 25.195 -1.908 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.385 23.707 -4.263 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -12.270 25.401 -4.250 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.118 26.653 -3.831 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.213 27.937 -6.097 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.691 24.780 -8.860 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -9.988 27.228 -8.620 1.00 0.00 H new ATOM 413 N LYS A 26 -8.309 25.666 -2.726 1.00 0.00 N ATOM 414 CA LYS A 26 -6.884 26.147 -2.770 1.00 0.00 C ATOM 415 C LYS A 26 -6.163 25.821 -1.455 1.00 0.00 C ATOM 416 O LYS A 26 -6.761 25.756 -0.405 1.00 0.00 O ATOM 417 CB LYS A 26 -6.874 27.663 -2.985 1.00 0.00 C ATOM 418 CG LYS A 26 -7.472 27.989 -4.358 1.00 0.00 C ATOM 419 CD LYS A 26 -7.286 29.480 -4.682 1.00 0.00 C ATOM 420 CE LYS A 26 -8.183 30.346 -3.788 1.00 0.00 C ATOM 421 NZ LYS A 26 -9.578 29.820 -3.807 1.00 0.00 N ATOM 0 H LYS A 26 -8.785 25.799 -1.834 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.368 25.645 -3.588 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.448 28.156 -2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.854 28.043 -2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.992 27.381 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.532 27.737 -4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.242 29.761 -4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.525 29.662 -5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.800 30.349 -2.767 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.170 31.379 -4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.234 30.565 -3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.823 29.521 -4.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.651 29.006 -3.164 1.00 0.00 H new ATOM 435 N LEU A 27 -4.867 25.634 -1.514 1.00 0.00 N ATOM 436 CA LEU A 27 -4.068 25.330 -0.279 1.00 0.00 C ATOM 437 C LEU A 27 -3.248 26.571 0.094 1.00 0.00 C ATOM 438 O LEU A 27 -2.627 27.187 -0.748 1.00 0.00 O ATOM 439 CB LEU A 27 -3.103 24.151 -0.552 1.00 0.00 C ATOM 440 CG LEU A 27 -3.774 22.797 -0.259 1.00 0.00 C ATOM 441 CD1 LEU A 27 -4.106 22.658 1.242 1.00 0.00 C ATOM 442 CD2 LEU A 27 -5.046 22.665 -1.098 1.00 0.00 C ATOM 0 H LEU A 27 -4.320 25.679 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.742 25.061 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.776 24.179 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.211 24.258 0.066 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.081 21.999 -0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.579 21.693 1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.188 22.727 1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.786 23.456 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.521 21.706 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.733 23.473 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.791 22.722 -2.156 1.00 0.00 H new ATOM 454 N LYS A 28 -3.236 26.937 1.351 1.00 0.00 N ATOM 455 CA LYS A 28 -2.452 28.128 1.791 1.00 0.00 C ATOM 456 C LYS A 28 -1.152 27.649 2.437 1.00 0.00 C ATOM 457 O LYS A 28 -1.117 26.610 3.065 1.00 0.00 O ATOM 458 CB LYS A 28 -3.290 28.910 2.811 1.00 0.00 C ATOM 459 CG LYS A 28 -2.526 30.139 3.311 1.00 0.00 C ATOM 460 CD LYS A 28 -3.392 30.890 4.324 1.00 0.00 C ATOM 461 CE LYS A 28 -2.637 32.120 4.828 1.00 0.00 C ATOM 462 NZ LYS A 28 -2.590 33.145 3.747 1.00 0.00 N ATOM 0 H LYS A 28 -3.740 26.457 2.096 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.216 28.771 0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.230 29.221 2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.542 28.265 3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.586 29.835 3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.275 30.791 2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.332 31.191 3.862 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.643 30.236 5.160 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.130 32.528 5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.626 31.843 5.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.295 34.059 4.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.909 32.850 3.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.533 33.242 3.320 1.00 0.00 H new ATOM 476 N LYS A 29 -0.078 28.389 2.276 1.00 0.00 N ATOM 477 CA LYS A 29 1.228 27.972 2.872 1.00 0.00 C ATOM 478 C LYS A 29 0.992 27.435 4.281 1.00 0.00 C ATOM 479 O LYS A 29 1.759 26.653 4.805 1.00 0.00 O ATOM 480 CB LYS A 29 2.176 29.179 2.939 1.00 0.00 C ATOM 481 CG LYS A 29 1.710 30.184 4.000 1.00 0.00 C ATOM 482 CD LYS A 29 2.537 31.468 3.867 1.00 0.00 C ATOM 483 CE LYS A 29 2.254 32.399 5.050 1.00 0.00 C ATOM 484 NZ LYS A 29 2.575 31.705 6.330 1.00 0.00 N ATOM 0 H LYS A 29 -0.053 29.266 1.755 1.00 0.00 H new ATOM 0 HA LYS A 29 1.676 27.195 2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.186 28.841 3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.220 29.667 1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.650 30.404 3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.829 29.761 4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.599 31.224 3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.294 31.971 2.931 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.849 33.308 4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.207 32.702 5.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.761 32.411 7.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.771 31.110 6.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.418 31.109 6.200 1.00 0.00 H new ATOM 498 N SER A 30 -0.081 27.850 4.884 1.00 0.00 N ATOM 499 CA SER A 30 -0.400 27.365 6.256 1.00 0.00 C ATOM 500 C SER A 30 -0.952 25.947 6.158 1.00 0.00 C ATOM 501 O SER A 30 -0.447 25.026 6.768 1.00 0.00 O ATOM 502 CB SER A 30 -1.450 28.277 6.893 1.00 0.00 C ATOM 503 OG SER A 30 -0.886 29.564 7.109 1.00 0.00 O ATOM 0 H SER A 30 -0.755 28.506 4.488 1.00 0.00 H new ATOM 0 HA SER A 30 0.501 27.374 6.870 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.323 28.354 6.245 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.791 27.854 7.838 1.00 0.00 H new ATOM 0 HG SER A 30 -1.557 30.151 7.516 1.00 0.00 H new ATOM 509 N GLU A 31 -1.975 25.764 5.370 1.00 0.00 N ATOM 510 CA GLU A 31 -2.558 24.410 5.202 1.00 0.00 C ATOM 511 C GLU A 31 -1.489 23.494 4.615 1.00 0.00 C ATOM 512 O GLU A 31 -1.405 22.328 4.939 1.00 0.00 O ATOM 513 CB GLU A 31 -3.765 24.486 4.265 1.00 0.00 C ATOM 514 CG GLU A 31 -4.883 25.270 4.955 1.00 0.00 C ATOM 515 CD GLU A 31 -6.099 25.354 4.032 1.00 0.00 C ATOM 516 OE1 GLU A 31 -6.009 24.859 2.921 1.00 0.00 O ATOM 517 OE2 GLU A 31 -7.099 25.913 4.452 1.00 0.00 O ATOM 0 H GLU A 31 -2.433 26.501 4.833 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.889 24.017 6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.486 24.972 3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.109 23.483 4.012 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.158 24.783 5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.536 26.272 5.207 1.00 0.00 H new ATOM 524 N LEU A 32 -0.671 24.025 3.749 1.00 0.00 N ATOM 525 CA LEU A 32 0.406 23.211 3.124 1.00 0.00 C ATOM 526 C LEU A 32 1.343 22.665 4.201 1.00 0.00 C ATOM 527 O LEU A 32 1.766 21.536 4.136 1.00 0.00 O ATOM 528 CB LEU A 32 1.196 24.093 2.153 1.00 0.00 C ATOM 529 CG LEU A 32 2.345 23.301 1.512 1.00 0.00 C ATOM 530 CD1 LEU A 32 1.796 22.067 0.780 1.00 0.00 C ATOM 531 CD2 LEU A 32 3.073 24.213 0.519 1.00 0.00 C ATOM 0 H LEU A 32 -0.704 24.998 3.445 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.037 22.373 2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.532 24.473 1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.595 24.958 2.682 1.00 0.00 H new ATOM 0 HG LEU A 32 3.035 22.964 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.621 21.514 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.274 21.426 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.104 22.385 0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.893 23.665 0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.375 24.543 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.470 25.081 1.046 1.00 0.00 H new ATOM 543 N LYS A 33 1.683 23.456 5.180 1.00 0.00 N ATOM 544 CA LYS A 33 2.607 22.958 6.250 1.00 0.00 C ATOM 545 C LYS A 33 1.987 21.752 6.953 1.00 0.00 C ATOM 546 O LYS A 33 2.665 20.796 7.276 1.00 0.00 O ATOM 547 CB LYS A 33 2.854 24.072 7.273 1.00 0.00 C ATOM 548 CG LYS A 33 3.822 23.586 8.360 1.00 0.00 C ATOM 549 CD LYS A 33 4.052 24.713 9.366 1.00 0.00 C ATOM 550 CE LYS A 33 5.019 24.247 10.459 1.00 0.00 C ATOM 551 NZ LYS A 33 4.367 23.194 11.287 1.00 0.00 N ATOM 0 H LYS A 33 1.367 24.419 5.290 1.00 0.00 H new ATOM 0 HA LYS A 33 3.552 22.662 5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.266 24.949 6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.910 24.376 7.725 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.413 22.710 8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.768 23.283 7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.458 25.588 8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.104 25.014 9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.932 23.857 10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.308 25.090 11.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.790 23.188 12.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.349 23.392 11.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.507 22.265 10.840 1.00 0.00 H new ATOM 565 N GLU A 34 0.710 21.785 7.198 1.00 0.00 N ATOM 566 CA GLU A 34 0.064 20.638 7.886 1.00 0.00 C ATOM 567 C GLU A 34 0.129 19.410 6.974 1.00 0.00 C ATOM 568 O GLU A 34 0.321 18.303 7.416 1.00 0.00 O ATOM 569 CB GLU A 34 -1.390 20.993 8.231 1.00 0.00 C ATOM 570 CG GLU A 34 -1.426 21.995 9.396 1.00 0.00 C ATOM 571 CD GLU A 34 -1.079 23.396 8.895 1.00 0.00 C ATOM 572 OE1 GLU A 34 -1.930 24.007 8.276 1.00 0.00 O ATOM 573 OE2 GLU A 34 0.027 23.840 9.155 1.00 0.00 O ATOM 0 H GLU A 34 0.087 22.554 6.952 1.00 0.00 H new ATOM 0 HA GLU A 34 0.587 20.414 8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.885 21.419 7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.939 20.091 8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.416 21.998 9.852 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.720 21.691 10.169 1.00 0.00 H new ATOM 580 N LEU A 35 -0.016 19.596 5.702 1.00 0.00 N ATOM 581 CA LEU A 35 0.065 18.440 4.767 1.00 0.00 C ATOM 582 C LEU A 35 1.450 17.807 4.892 1.00 0.00 C ATOM 583 O LEU A 35 1.599 16.604 4.970 1.00 0.00 O ATOM 584 CB LEU A 35 -0.161 18.954 3.332 1.00 0.00 C ATOM 585 CG LEU A 35 0.053 17.842 2.276 1.00 0.00 C ATOM 586 CD1 LEU A 35 1.557 17.529 2.074 1.00 0.00 C ATOM 587 CD2 LEU A 35 -0.696 16.572 2.697 1.00 0.00 C ATOM 0 H LEU A 35 -0.188 20.500 5.262 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.692 17.693 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.174 19.348 3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.521 19.780 3.131 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.343 18.201 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.668 16.744 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.074 18.428 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.989 17.195 3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.541 15.794 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.319 16.230 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.761 16.788 2.780 1.00 0.00 H new ATOM 599 N ILE A 36 2.461 18.624 4.879 1.00 0.00 N ATOM 600 CA ILE A 36 3.857 18.121 4.960 1.00 0.00 C ATOM 601 C ILE A 36 4.201 17.612 6.359 1.00 0.00 C ATOM 602 O ILE A 36 4.744 16.537 6.521 1.00 0.00 O ATOM 603 CB ILE A 36 4.817 19.272 4.631 1.00 0.00 C ATOM 604 CG1 ILE A 36 4.540 19.796 3.216 1.00 0.00 C ATOM 605 CG2 ILE A 36 6.259 18.773 4.733 1.00 0.00 C ATOM 606 CD1 ILE A 36 5.360 21.064 2.949 1.00 0.00 C ATOM 0 H ILE A 36 2.378 19.639 4.814 1.00 0.00 H new ATOM 0 HA ILE A 36 3.954 17.296 4.254 1.00 0.00 H new ATOM 0 HB ILE A 36 4.666 20.085 5.341 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.791 19.031 2.482 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.478 20.011 3.102 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.944 19.589 4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.450 18.417 5.745 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.413 17.957 4.027 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.154 21.425 1.941 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.088 21.832 3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.422 20.837 3.043 1.00 0.00 H new ATOM 618 N ASN A 37 3.958 18.401 7.363 1.00 0.00 N ATOM 619 CA ASN A 37 4.358 17.977 8.740 1.00 0.00 C ATOM 620 C ASN A 37 3.451 16.880 9.300 1.00 0.00 C ATOM 621 O ASN A 37 3.906 15.904 9.863 1.00 0.00 O ATOM 622 CB ASN A 37 4.278 19.189 9.669 1.00 0.00 C ATOM 623 CG ASN A 37 5.384 20.181 9.317 1.00 0.00 C ATOM 624 OD1 ASN A 37 5.261 21.425 9.687 1.00 0.00 O flip ATOM 625 ND2 ASN A 37 6.363 19.823 8.696 1.00 0.00 N flip ATOM 0 H ASN A 37 3.505 19.313 7.298 1.00 0.00 H new ATOM 0 HA ASN A 37 5.371 17.579 8.681 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.303 19.668 9.575 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.378 18.871 10.707 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.456 18.849 8.408 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.093 20.496 8.462 1.00 0.00 H new ATOM 632 N ASN A 38 2.179 17.075 9.206 1.00 0.00 N ATOM 633 CA ASN A 38 1.214 16.090 9.795 1.00 0.00 C ATOM 634 C ASN A 38 1.069 14.812 8.954 1.00 0.00 C ATOM 635 O ASN A 38 1.030 13.724 9.492 1.00 0.00 O ATOM 636 CB ASN A 38 -0.161 16.749 9.939 1.00 0.00 C ATOM 637 CG ASN A 38 -1.069 15.876 10.812 1.00 0.00 C ATOM 638 OD1 ASN A 38 -0.567 14.853 11.449 1.00 0.00 O flip ATOM 639 ND2 ASN A 38 -2.254 16.126 10.910 1.00 0.00 N flip ATOM 0 H ASN A 38 1.749 17.877 8.745 1.00 0.00 H new ATOM 0 HA ASN A 38 1.614 15.797 10.766 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.055 17.738 10.385 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.612 16.889 8.956 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -2.650 16.925 10.414 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.853 15.537 11.489 1.00 0.00 H new ATOM 646 N GLU A 39 0.945 14.912 7.654 1.00 0.00 N ATOM 647 CA GLU A 39 0.753 13.665 6.844 1.00 0.00 C ATOM 648 C GLU A 39 2.092 12.994 6.545 1.00 0.00 C ATOM 649 O GLU A 39 2.132 11.850 6.141 1.00 0.00 O ATOM 650 CB GLU A 39 0.053 14.004 5.514 1.00 0.00 C ATOM 651 CG GLU A 39 -0.581 12.738 4.921 1.00 0.00 C ATOM 652 CD GLU A 39 -1.891 12.417 5.654 1.00 0.00 C ATOM 653 OE1 GLU A 39 -2.075 12.917 6.750 1.00 0.00 O ATOM 654 OE2 GLU A 39 -2.696 11.689 5.098 1.00 0.00 O ATOM 0 H GLU A 39 0.967 15.784 7.125 1.00 0.00 H new ATOM 0 HA GLU A 39 0.136 12.979 7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.713 14.762 5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.772 14.425 4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.775 12.882 3.858 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.110 11.899 5.009 1.00 0.00 H new ATOM 661 N LEU A 40 3.188 13.681 6.723 1.00 0.00 N ATOM 662 CA LEU A 40 4.513 13.056 6.419 1.00 0.00 C ATOM 663 C LEU A 40 5.530 13.427 7.502 1.00 0.00 C ATOM 664 O LEU A 40 6.628 13.859 7.211 1.00 0.00 O ATOM 665 CB LEU A 40 5.011 13.548 5.044 1.00 0.00 C ATOM 666 CG LEU A 40 3.842 13.729 4.052 1.00 0.00 C ATOM 667 CD1 LEU A 40 4.368 14.436 2.796 1.00 0.00 C ATOM 668 CD2 LEU A 40 3.217 12.361 3.665 1.00 0.00 C ATOM 0 H LEU A 40 3.227 14.642 7.063 1.00 0.00 H new ATOM 0 HA LEU A 40 4.401 11.972 6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.538 14.495 5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.727 12.834 4.638 1.00 0.00 H new ATOM 0 HG LEU A 40 3.064 14.328 4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.552 14.571 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.775 15.409 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.151 13.831 2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.396 12.521 2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.976 11.734 3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.840 11.867 4.560 1.00 0.00 H new ATOM 680 N SER A 41 5.183 13.255 8.748 1.00 0.00 N ATOM 681 CA SER A 41 6.145 13.592 9.834 1.00 0.00 C ATOM 682 C SER A 41 7.378 12.689 9.721 1.00 0.00 C ATOM 683 O SER A 41 8.502 13.139 9.828 1.00 0.00 O ATOM 684 CB SER A 41 5.478 13.366 11.191 1.00 0.00 C ATOM 685 OG SER A 41 5.177 11.984 11.341 1.00 0.00 O ATOM 0 H SER A 41 4.280 12.898 9.060 1.00 0.00 H new ATOM 0 HA SER A 41 6.446 14.636 9.742 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.138 13.696 11.993 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.566 13.959 11.265 1.00 0.00 H new ATOM 0 HG SER A 41 4.751 11.835 12.211 1.00 0.00 H new ATOM 691 N HIS A 42 7.173 11.412 9.509 1.00 0.00 N ATOM 692 CA HIS A 42 8.324 10.462 9.394 1.00 0.00 C ATOM 693 C HIS A 42 8.628 10.182 7.921 1.00 0.00 C ATOM 694 O HIS A 42 9.771 10.069 7.524 1.00 0.00 O ATOM 695 CB HIS A 42 7.956 9.153 10.096 1.00 0.00 C ATOM 696 CG HIS A 42 9.107 8.189 10.018 1.00 0.00 C ATOM 697 ND1 HIS A 42 10.289 8.387 10.720 1.00 0.00 N ATOM 698 CD2 HIS A 42 9.268 7.006 9.339 1.00 0.00 C ATOM 699 CE1 HIS A 42 11.100 7.347 10.450 1.00 0.00 C ATOM 700 NE2 HIS A 42 10.525 6.480 9.614 1.00 0.00 N ATOM 0 H HIS A 42 6.252 10.984 9.410 1.00 0.00 H new ATOM 0 HA HIS A 42 9.206 10.901 9.859 1.00 0.00 H new ATOM 0 HB2 HIS A 42 7.704 9.348 11.138 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.073 8.716 9.630 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.531 6.554 8.691 1.00 0.00 H new ATOM 0 HE1 HIS A 42 12.093 7.229 10.859 1.00 0.00 H new ATOM 0 HE2 HIS A 42 10.924 5.614 9.253 1.00 0.00 H new ATOM 709 N PHE A 43 7.616 10.064 7.109 1.00 0.00 N ATOM 710 CA PHE A 43 7.847 9.788 5.663 1.00 0.00 C ATOM 711 C PHE A 43 8.680 10.924 5.056 1.00 0.00 C ATOM 712 O PHE A 43 9.580 10.692 4.275 1.00 0.00 O ATOM 713 CB PHE A 43 6.494 9.647 4.950 1.00 0.00 C ATOM 714 CG PHE A 43 6.700 9.367 3.473 1.00 0.00 C ATOM 715 CD1 PHE A 43 7.414 8.231 3.058 1.00 0.00 C ATOM 716 CD2 PHE A 43 6.173 10.245 2.514 1.00 0.00 C ATOM 717 CE1 PHE A 43 7.602 7.981 1.693 1.00 0.00 C ATOM 718 CE2 PHE A 43 6.364 9.991 1.151 1.00 0.00 C ATOM 719 CZ PHE A 43 7.079 8.860 0.740 1.00 0.00 C ATOM 0 H PHE A 43 6.637 10.147 7.384 1.00 0.00 H new ATOM 0 HA PHE A 43 8.398 8.856 5.540 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.920 8.839 5.403 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.913 10.560 5.076 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.818 7.550 3.792 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.619 11.118 2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.152 7.107 1.376 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.959 10.669 0.415 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.226 8.667 -0.312 1.00 0.00 H new ATOM 729 N LEU A 44 8.405 12.147 5.438 1.00 0.00 N ATOM 730 CA LEU A 44 9.192 13.317 4.928 1.00 0.00 C ATOM 731 C LEU A 44 9.698 14.052 6.164 1.00 0.00 C ATOM 732 O LEU A 44 8.962 14.246 7.111 1.00 0.00 O ATOM 733 CB LEU A 44 8.274 14.235 4.089 1.00 0.00 C ATOM 734 CG LEU A 44 9.072 15.069 3.060 1.00 0.00 C ATOM 735 CD1 LEU A 44 10.260 15.758 3.731 1.00 0.00 C ATOM 736 CD2 LEU A 44 9.575 14.180 1.907 1.00 0.00 C ATOM 0 H LEU A 44 7.659 12.389 6.090 1.00 0.00 H new ATOM 0 HA LEU A 44 10.019 13.006 4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.534 13.628 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.727 14.905 4.753 1.00 0.00 H new ATOM 0 HG LEU A 44 8.402 15.827 2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.809 16.340 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.899 16.420 4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.920 15.006 4.163 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.133 14.788 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.224 13.400 2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.724 13.722 1.403 1.00 0.00 H new ATOM 748 N GLU A 45 10.936 14.447 6.200 1.00 0.00 N ATOM 749 CA GLU A 45 11.421 15.134 7.421 1.00 0.00 C ATOM 750 C GLU A 45 10.472 16.286 7.760 1.00 0.00 C ATOM 751 O GLU A 45 10.288 17.216 7.005 1.00 0.00 O ATOM 752 CB GLU A 45 12.850 15.648 7.203 1.00 0.00 C ATOM 753 CG GLU A 45 12.865 16.776 6.172 1.00 0.00 C ATOM 754 CD GLU A 45 14.300 17.016 5.696 1.00 0.00 C ATOM 755 OE1 GLU A 45 15.209 16.754 6.467 1.00 0.00 O ATOM 756 OE2 GLU A 45 14.466 17.456 4.571 1.00 0.00 O ATOM 0 H GLU A 45 11.620 14.327 5.453 1.00 0.00 H new ATOM 0 HA GLU A 45 11.439 14.434 8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.262 16.005 8.147 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.488 14.831 6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.229 16.517 5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.459 17.688 6.610 1.00 0.00 H new ATOM 763 N GLU A 46 9.845 16.199 8.893 1.00 0.00 N ATOM 764 CA GLU A 46 8.882 17.254 9.315 1.00 0.00 C ATOM 765 C GLU A 46 9.528 18.636 9.207 1.00 0.00 C ATOM 766 O GLU A 46 10.723 18.788 9.348 1.00 0.00 O ATOM 767 CB GLU A 46 8.468 16.990 10.769 1.00 0.00 C ATOM 768 CG GLU A 46 7.486 18.066 11.244 1.00 0.00 C ATOM 769 CD GLU A 46 7.018 17.736 12.663 1.00 0.00 C ATOM 770 OE1 GLU A 46 7.419 16.703 13.173 1.00 0.00 O ATOM 771 OE2 GLU A 46 6.267 18.523 13.215 1.00 0.00 O ATOM 0 H GLU A 46 9.958 15.432 9.556 1.00 0.00 H new ATOM 0 HA GLU A 46 8.007 17.228 8.665 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.007 16.006 10.850 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.349 16.983 11.410 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.965 19.045 11.226 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.631 18.117 10.570 1.00 0.00 H new ATOM 778 N ILE A 47 8.740 19.651 8.959 1.00 0.00 N ATOM 779 CA ILE A 47 9.307 21.029 8.857 1.00 0.00 C ATOM 780 C ILE A 47 9.414 21.598 10.270 1.00 0.00 C ATOM 781 O ILE A 47 8.567 21.352 11.106 1.00 0.00 O ATOM 782 CB ILE A 47 8.398 21.936 8.013 1.00 0.00 C ATOM 783 CG1 ILE A 47 8.057 21.262 6.664 1.00 0.00 C ATOM 784 CG2 ILE A 47 9.100 23.286 7.770 1.00 0.00 C ATOM 785 CD1 ILE A 47 9.204 21.433 5.657 1.00 0.00 C ATOM 0 H ILE A 47 7.731 19.585 8.823 1.00 0.00 H new ATOM 0 HA ILE A 47 10.284 20.985 8.375 1.00 0.00 H new ATOM 0 HB ILE A 47 7.467 22.105 8.555 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.863 20.201 6.822 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.144 21.696 6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.455 23.929 7.171 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.305 23.767 8.726 1.00 0.00 H new ATOM 0 HG23 ILE A 47 10.038 23.118 7.240 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.938 20.950 4.717 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.380 22.494 5.482 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.110 20.976 6.056 1.00 0.00 H new ATOM 797 N LYS A 48 10.465 22.321 10.560 1.00 0.00 N ATOM 798 CA LYS A 48 10.652 22.871 11.941 1.00 0.00 C ATOM 799 C LYS A 48 10.414 24.385 11.959 1.00 0.00 C ATOM 800 O LYS A 48 10.221 24.967 13.009 1.00 0.00 O ATOM 801 CB LYS A 48 12.093 22.590 12.399 1.00 0.00 C ATOM 802 CG LYS A 48 12.513 21.152 12.041 1.00 0.00 C ATOM 803 CD LYS A 48 11.820 20.136 12.957 1.00 0.00 C ATOM 804 CE LYS A 48 12.067 18.732 12.409 1.00 0.00 C ATOM 805 NZ LYS A 48 11.678 17.718 13.429 1.00 0.00 N ATOM 0 H LYS A 48 11.205 22.556 9.899 1.00 0.00 H new ATOM 0 HA LYS A 48 9.935 22.393 12.609 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.773 23.300 11.928 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.172 22.739 13.476 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.260 20.943 11.002 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.595 21.051 12.132 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.207 20.218 13.973 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.750 20.340 13.006 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.492 18.582 11.495 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.118 18.613 12.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.848 16.764 13.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.245 17.856 14.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.669 17.825 13.658 1.00 0.00 H new ATOM 819 N GLU A 49 10.443 25.038 10.822 1.00 0.00 N ATOM 820 CA GLU A 49 10.235 26.520 10.805 1.00 0.00 C ATOM 821 C GLU A 49 9.365 26.912 9.602 1.00 0.00 C ATOM 822 O GLU A 49 9.468 26.351 8.528 1.00 0.00 O ATOM 823 CB GLU A 49 11.602 27.209 10.734 1.00 0.00 C ATOM 824 CG GLU A 49 11.441 28.725 10.887 1.00 0.00 C ATOM 825 CD GLU A 49 10.937 29.058 12.294 1.00 0.00 C ATOM 826 OE1 GLU A 49 10.982 28.184 13.144 1.00 0.00 O ATOM 827 OE2 GLU A 49 10.514 30.185 12.498 1.00 0.00 O ATOM 0 H GLU A 49 10.601 24.611 9.909 1.00 0.00 H new ATOM 0 HA GLU A 49 9.720 26.836 11.712 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.252 26.824 11.520 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.083 26.982 9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.395 29.220 10.707 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.740 29.102 10.142 1.00 0.00 H new ATOM 834 N GLN A 50 8.494 27.864 9.798 1.00 0.00 N ATOM 835 CA GLN A 50 7.572 28.320 8.713 1.00 0.00 C ATOM 836 C GLN A 50 8.359 28.848 7.510 1.00 0.00 C ATOM 837 O GLN A 50 7.884 28.818 6.398 1.00 0.00 O ATOM 838 CB GLN A 50 6.705 29.454 9.262 1.00 0.00 C ATOM 839 CG GLN A 50 5.829 28.936 10.406 1.00 0.00 C ATOM 840 CD GLN A 50 4.737 28.011 9.863 1.00 0.00 C ATOM 841 OE1 GLN A 50 4.269 27.138 10.565 1.00 0.00 O ATOM 842 NE2 GLN A 50 4.306 28.164 8.640 1.00 0.00 N ATOM 0 H GLN A 50 8.379 28.357 10.684 1.00 0.00 H new ATOM 0 HA GLN A 50 6.963 27.476 8.390 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.338 30.267 9.617 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.078 29.861 8.468 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.443 28.399 11.129 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.375 29.775 10.934 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.698 28.897 8.049 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.577 27.551 8.276 1.00 0.00 H new ATOM 851 N GLU A 51 9.538 29.357 7.722 1.00 0.00 N ATOM 852 CA GLU A 51 10.326 29.913 6.582 1.00 0.00 C ATOM 853 C GLU A 51 10.591 28.833 5.539 1.00 0.00 C ATOM 854 O GLU A 51 10.558 29.093 4.359 1.00 0.00 O ATOM 855 CB GLU A 51 11.660 30.471 7.097 1.00 0.00 C ATOM 856 CG GLU A 51 12.567 29.320 7.544 1.00 0.00 C ATOM 857 CD GLU A 51 13.809 29.889 8.236 1.00 0.00 C ATOM 858 OE1 GLU A 51 14.102 31.053 8.019 1.00 0.00 O ATOM 859 OE2 GLU A 51 14.445 29.150 8.969 1.00 0.00 O ATOM 0 H GLU A 51 9.993 29.414 8.633 1.00 0.00 H new ATOM 0 HA GLU A 51 9.750 30.714 6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.150 31.049 6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.483 31.151 7.930 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.028 28.661 8.225 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.860 28.718 6.684 1.00 0.00 H new ATOM 866 N VAL A 52 10.861 27.630 5.953 1.00 0.00 N ATOM 867 CA VAL A 52 11.127 26.560 4.956 1.00 0.00 C ATOM 868 C VAL A 52 9.907 26.400 4.076 1.00 0.00 C ATOM 869 O VAL A 52 10.006 26.207 2.885 1.00 0.00 O ATOM 870 CB VAL A 52 11.412 25.246 5.677 1.00 0.00 C ATOM 871 CG1 VAL A 52 11.634 24.132 4.654 1.00 0.00 C ATOM 872 CG2 VAL A 52 12.656 25.405 6.547 1.00 0.00 C ATOM 0 H VAL A 52 10.909 27.342 6.930 1.00 0.00 H new ATOM 0 HA VAL A 52 11.991 26.828 4.348 1.00 0.00 H new ATOM 0 HB VAL A 52 10.561 24.986 6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.837 23.196 5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.741 24.019 4.039 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.482 24.386 4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.861 24.467 7.063 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.508 25.668 5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.489 26.194 7.281 1.00 0.00 H new ATOM 882 N VAL A 53 8.759 26.474 4.658 1.00 0.00 N ATOM 883 CA VAL A 53 7.518 26.329 3.871 1.00 0.00 C ATOM 884 C VAL A 53 7.395 27.492 2.898 1.00 0.00 C ATOM 885 O VAL A 53 6.952 27.322 1.795 1.00 0.00 O ATOM 886 CB VAL A 53 6.329 26.301 4.830 1.00 0.00 C ATOM 887 CG1 VAL A 53 5.015 26.100 4.062 1.00 0.00 C ATOM 888 CG2 VAL A 53 6.532 25.152 5.828 1.00 0.00 C ATOM 0 H VAL A 53 8.623 26.630 5.657 1.00 0.00 H new ATOM 0 HA VAL A 53 7.539 25.402 3.299 1.00 0.00 H new ATOM 0 HB VAL A 53 6.269 27.253 5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.182 26.083 4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.878 26.919 3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.051 25.155 3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.691 25.119 6.520 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.595 24.208 5.288 1.00 0.00 H new ATOM 0 HG23 VAL A 53 7.455 25.313 6.386 1.00 0.00 H new ATOM 898 N ASP A 54 7.762 28.669 3.304 1.00 0.00 N ATOM 899 CA ASP A 54 7.641 29.840 2.393 1.00 0.00 C ATOM 900 C ASP A 54 8.578 29.677 1.199 1.00 0.00 C ATOM 901 O ASP A 54 8.261 30.062 0.094 1.00 0.00 O ATOM 902 CB ASP A 54 7.987 31.124 3.150 1.00 0.00 C ATOM 903 CG ASP A 54 7.750 32.329 2.239 1.00 0.00 C ATOM 904 OD1 ASP A 54 7.562 32.121 1.051 1.00 0.00 O ATOM 905 OD2 ASP A 54 7.760 33.440 2.744 1.00 0.00 O ATOM 0 H ASP A 54 8.142 28.874 4.228 1.00 0.00 H new ATOM 0 HA ASP A 54 6.615 29.901 2.031 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.374 31.207 4.048 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.027 31.099 3.475 1.00 0.00 H new ATOM 910 N LYS A 55 9.726 29.111 1.415 1.00 0.00 N ATOM 911 CA LYS A 55 10.688 28.917 0.297 1.00 0.00 C ATOM 912 C LYS A 55 10.091 27.902 -0.661 1.00 0.00 C ATOM 913 O LYS A 55 10.158 28.040 -1.868 1.00 0.00 O ATOM 914 CB LYS A 55 12.022 28.396 0.837 1.00 0.00 C ATOM 915 CG LYS A 55 13.029 28.297 -0.310 1.00 0.00 C ATOM 916 CD LYS A 55 14.365 27.777 0.221 1.00 0.00 C ATOM 917 CE LYS A 55 15.392 27.773 -0.913 1.00 0.00 C ATOM 918 NZ LYS A 55 15.757 29.177 -1.258 1.00 0.00 N ATOM 0 H LYS A 55 10.044 28.771 2.323 1.00 0.00 H new ATOM 0 HA LYS A 55 10.869 29.863 -0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.400 29.064 1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.883 27.419 1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.649 27.629 -1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.166 29.275 -0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.713 28.406 1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.244 26.770 0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.281 27.219 -0.611 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.982 27.267 -1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.667 29.185 -1.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.020 29.588 -1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.839 29.738 -0.386 1.00 0.00 H new ATOM 932 N VAL A 56 9.477 26.893 -0.119 1.00 0.00 N ATOM 933 CA VAL A 56 8.834 25.870 -0.975 1.00 0.00 C ATOM 934 C VAL A 56 7.700 26.552 -1.726 1.00 0.00 C ATOM 935 O VAL A 56 7.383 26.217 -2.848 1.00 0.00 O ATOM 936 CB VAL A 56 8.290 24.734 -0.093 1.00 0.00 C ATOM 937 CG1 VAL A 56 7.220 23.935 -0.848 1.00 0.00 C ATOM 938 CG2 VAL A 56 9.438 23.798 0.290 1.00 0.00 C ATOM 0 H VAL A 56 9.393 26.734 0.885 1.00 0.00 H new ATOM 0 HA VAL A 56 9.546 25.441 -1.680 1.00 0.00 H new ATOM 0 HB VAL A 56 7.843 25.166 0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.845 23.135 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.398 24.596 -1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.656 23.506 -1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.056 22.991 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.882 23.378 -0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.195 24.357 0.840 1.00 0.00 H new ATOM 948 N MET A 57 7.088 27.516 -1.104 1.00 0.00 N ATOM 949 CA MET A 57 5.970 28.228 -1.770 1.00 0.00 C ATOM 950 C MET A 57 6.513 29.072 -2.910 1.00 0.00 C ATOM 951 O MET A 57 5.861 29.271 -3.894 1.00 0.00 O ATOM 952 CB MET A 57 5.221 29.098 -0.764 1.00 0.00 C ATOM 953 CG MET A 57 4.421 28.189 0.173 1.00 0.00 C ATOM 954 SD MET A 57 3.023 27.462 -0.722 1.00 0.00 S ATOM 955 CE MET A 57 1.881 28.861 -0.597 1.00 0.00 C ATOM 0 H MET A 57 7.314 27.841 -0.164 1.00 0.00 H new ATOM 0 HA MET A 57 5.269 27.498 -2.174 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.924 29.705 -0.193 1.00 0.00 H new ATOM 0 HB3 MET A 57 4.554 29.786 -1.283 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.063 27.400 0.565 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.060 28.760 1.028 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.064 28.605 0.078 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.412 29.731 -0.210 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.478 29.091 -1.583 1.00 0.00 H new ATOM 965 N GLU A 58 7.712 29.548 -2.823 1.00 0.00 N ATOM 966 CA GLU A 58 8.233 30.345 -3.960 1.00 0.00 C ATOM 967 C GLU A 58 8.190 29.436 -5.188 1.00 0.00 C ATOM 968 O GLU A 58 7.836 29.846 -6.275 1.00 0.00 O ATOM 969 CB GLU A 58 9.669 30.785 -3.665 1.00 0.00 C ATOM 970 CG GLU A 58 10.205 31.618 -4.830 1.00 0.00 C ATOM 971 CD GLU A 58 11.640 32.051 -4.523 1.00 0.00 C ATOM 972 OE1 GLU A 58 12.068 31.854 -3.398 1.00 0.00 O ATOM 973 OE2 GLU A 58 12.282 32.581 -5.414 1.00 0.00 O ATOM 0 H GLU A 58 8.346 29.426 -2.033 1.00 0.00 H new ATOM 0 HA GLU A 58 7.639 31.243 -4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.699 31.369 -2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.302 29.911 -3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.178 31.036 -5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.574 32.493 -4.987 1.00 0.00 H new ATOM 980 N THR A 59 8.534 28.193 -5.002 1.00 0.00 N ATOM 981 CA THR A 59 8.504 27.219 -6.126 1.00 0.00 C ATOM 982 C THR A 59 7.059 26.812 -6.476 1.00 0.00 C ATOM 983 O THR A 59 6.707 26.701 -7.634 1.00 0.00 O ATOM 984 CB THR A 59 9.302 25.978 -5.712 1.00 0.00 C ATOM 985 OG1 THR A 59 10.647 26.352 -5.452 1.00 0.00 O ATOM 986 CG2 THR A 59 9.270 24.920 -6.821 1.00 0.00 C ATOM 0 H THR A 59 8.838 27.807 -4.108 1.00 0.00 H new ATOM 0 HA THR A 59 8.943 27.683 -7.010 1.00 0.00 H new ATOM 0 HB THR A 59 8.853 25.554 -4.814 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.161 25.561 -5.185 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.842 24.047 -6.508 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.238 24.627 -7.015 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.707 25.333 -7.730 1.00 0.00 H new ATOM 994 N LEU A 60 6.224 26.561 -5.494 1.00 0.00 N ATOM 995 CA LEU A 60 4.818 26.134 -5.792 1.00 0.00 C ATOM 996 C LEU A 60 3.904 27.349 -5.913 1.00 0.00 C ATOM 997 O LEU A 60 2.824 27.265 -6.457 1.00 0.00 O ATOM 998 CB LEU A 60 4.306 25.227 -4.671 1.00 0.00 C ATOM 999 CG LEU A 60 5.322 24.117 -4.382 1.00 0.00 C ATOM 1000 CD1 LEU A 60 4.771 23.217 -3.274 1.00 0.00 C ATOM 1001 CD2 LEU A 60 5.578 23.281 -5.645 1.00 0.00 C ATOM 0 H LEU A 60 6.454 26.633 -4.503 1.00 0.00 H new ATOM 0 HA LEU A 60 4.814 25.592 -6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.132 25.814 -3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.349 24.789 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 60 6.264 24.566 -4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.487 22.423 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.606 23.808 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.828 22.777 -3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.302 22.497 -5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.644 22.828 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.970 23.924 -6.433 1.00 0.00 H new ATOM 1013 N ASP A 61 4.325 28.483 -5.437 1.00 0.00 N ATOM 1014 CA ASP A 61 3.466 29.692 -5.572 1.00 0.00 C ATOM 1015 C ASP A 61 3.692 30.216 -6.974 1.00 0.00 C ATOM 1016 O ASP A 61 4.198 31.301 -7.188 1.00 0.00 O ATOM 1017 CB ASP A 61 3.847 30.761 -4.547 1.00 0.00 C ATOM 1018 CG ASP A 61 2.809 31.877 -4.577 1.00 0.00 C ATOM 1019 OD1 ASP A 61 1.851 31.748 -5.323 1.00 0.00 O ATOM 1020 OD2 ASP A 61 2.985 32.839 -3.849 1.00 0.00 O ATOM 0 H ASP A 61 5.217 28.627 -4.964 1.00 0.00 H new ATOM 0 HA ASP A 61 2.420 29.442 -5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.899 30.324 -3.550 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.836 31.161 -4.772 1.00 0.00 H new ATOM 1025 N GLU A 62 3.349 29.415 -7.928 1.00 0.00 N ATOM 1026 CA GLU A 62 3.558 29.787 -9.343 1.00 0.00 C ATOM 1027 C GLU A 62 2.785 31.066 -9.658 1.00 0.00 C ATOM 1028 O GLU A 62 3.263 31.931 -10.364 1.00 0.00 O ATOM 1029 CB GLU A 62 3.055 28.643 -10.214 1.00 0.00 C ATOM 1030 CG GLU A 62 3.654 27.322 -9.709 1.00 0.00 C ATOM 1031 CD GLU A 62 3.360 26.212 -10.719 1.00 0.00 C ATOM 1032 OE1 GLU A 62 2.602 26.464 -11.642 1.00 0.00 O ATOM 1033 OE2 GLU A 62 3.898 25.130 -10.554 1.00 0.00 O ATOM 0 H GLU A 62 2.924 28.499 -7.785 1.00 0.00 H new ATOM 0 HA GLU A 62 4.616 29.966 -9.537 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.966 28.598 -10.183 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.337 28.810 -11.253 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.730 27.427 -9.571 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.231 27.066 -8.737 1.00 0.00 H new ATOM 1040 N ASP A 63 1.597 31.199 -9.140 1.00 0.00 N ATOM 1041 CA ASP A 63 0.807 32.434 -9.413 1.00 0.00 C ATOM 1042 C ASP A 63 1.281 33.553 -8.480 1.00 0.00 C ATOM 1043 O ASP A 63 0.888 34.695 -8.616 1.00 0.00 O ATOM 1044 CB ASP A 63 -0.683 32.157 -9.186 1.00 0.00 C ATOM 1045 CG ASP A 63 -0.958 31.945 -7.697 1.00 0.00 C ATOM 1046 OD1 ASP A 63 -0.004 31.773 -6.955 1.00 0.00 O ATOM 1047 OD2 ASP A 63 -2.120 31.955 -7.325 1.00 0.00 O ATOM 0 H ASP A 63 1.139 30.511 -8.542 1.00 0.00 H new ATOM 0 HA ASP A 63 0.954 32.741 -10.449 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.277 32.992 -9.558 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.987 31.274 -9.749 1.00 0.00 H new ATOM 1052 N GLY A 64 2.138 33.238 -7.544 1.00 0.00 N ATOM 1053 CA GLY A 64 2.651 34.295 -6.616 1.00 0.00 C ATOM 1054 C GLY A 64 1.527 34.779 -5.692 1.00 0.00 C ATOM 1055 O GLY A 64 1.436 35.951 -5.383 1.00 0.00 O ATOM 0 H GLY A 64 2.505 32.300 -7.381 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.475 33.899 -6.022 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.046 35.133 -7.190 1.00 0.00 H new ATOM 1059 N ASP A 65 0.663 33.893 -5.253 1.00 0.00 N ATOM 1060 CA ASP A 65 -0.466 34.308 -4.355 1.00 0.00 C ATOM 1061 C ASP A 65 -0.188 33.856 -2.920 1.00 0.00 C ATOM 1062 O ASP A 65 -0.985 34.070 -2.028 1.00 0.00 O ATOM 1063 CB ASP A 65 -1.754 33.648 -4.848 1.00 0.00 C ATOM 1064 CG ASP A 65 -1.597 32.130 -4.777 1.00 0.00 C ATOM 1065 OD1 ASP A 65 -0.478 31.681 -4.597 1.00 0.00 O ATOM 1066 OD2 ASP A 65 -2.597 31.443 -4.912 1.00 0.00 O ATOM 0 H ASP A 65 0.690 32.898 -5.478 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.565 35.393 -4.374 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.598 33.968 -4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.967 33.957 -5.872 1.00 0.00 H new ATOM 1071 N GLY A 66 0.925 33.221 -2.690 1.00 0.00 N ATOM 1072 CA GLY A 66 1.238 32.744 -1.313 1.00 0.00 C ATOM 1073 C GLY A 66 0.412 31.489 -1.035 1.00 0.00 C ATOM 1074 O GLY A 66 0.408 30.955 0.056 1.00 0.00 O ATOM 0 H GLY A 66 1.632 33.011 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.302 32.525 -1.221 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.007 33.519 -0.582 1.00 0.00 H new ATOM 1078 N GLU A 67 -0.292 31.022 -2.032 1.00 0.00 N ATOM 1079 CA GLU A 67 -1.138 29.804 -1.877 1.00 0.00 C ATOM 1080 C GLU A 67 -0.968 28.935 -3.126 1.00 0.00 C ATOM 1081 O GLU A 67 -1.030 29.425 -4.235 1.00 0.00 O ATOM 1082 CB GLU A 67 -2.609 30.222 -1.774 1.00 0.00 C ATOM 1083 CG GLU A 67 -2.754 31.349 -0.753 1.00 0.00 C ATOM 1084 CD GLU A 67 -4.224 31.761 -0.654 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -5.005 31.293 -1.467 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -4.546 32.526 0.240 1.00 0.00 O ATOM 0 H GLU A 67 -0.316 31.441 -2.962 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.843 29.256 -0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.972 30.551 -2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.220 29.369 -1.478 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.391 31.021 0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.145 32.203 -1.049 1.00 0.00 H new ATOM 1093 N CYS A 68 -0.784 27.649 -2.964 1.00 0.00 N ATOM 1094 CA CYS A 68 -0.645 26.752 -4.165 1.00 0.00 C ATOM 1095 C CYS A 68 -1.974 26.032 -4.371 1.00 0.00 C ATOM 1096 O CYS A 68 -2.526 25.468 -3.460 1.00 0.00 O ATOM 1097 CB CYS A 68 0.485 25.735 -3.957 1.00 0.00 C ATOM 1098 SG CYS A 68 0.131 24.730 -2.494 1.00 0.00 S ATOM 0 H CYS A 68 -0.724 27.179 -2.061 1.00 0.00 H new ATOM 0 HA CYS A 68 -0.395 27.346 -5.044 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.580 25.097 -4.835 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.436 26.253 -3.834 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.122 24.382 -2.499 1.00 0.00 H new ATOM 1104 N ASP A 69 -2.504 26.072 -5.558 1.00 0.00 N ATOM 1105 CA ASP A 69 -3.821 25.419 -5.819 1.00 0.00 C ATOM 1106 C ASP A 69 -3.640 23.912 -5.996 1.00 0.00 C ATOM 1107 O ASP A 69 -2.535 23.408 -6.043 1.00 0.00 O ATOM 1108 CB ASP A 69 -4.449 26.021 -7.079 1.00 0.00 C ATOM 1109 CG ASP A 69 -3.645 25.598 -8.308 1.00 0.00 C ATOM 1110 OD1 ASP A 69 -2.542 25.111 -8.128 1.00 0.00 O ATOM 1111 OD2 ASP A 69 -4.148 25.763 -9.407 1.00 0.00 O ATOM 0 H ASP A 69 -2.082 26.531 -6.366 1.00 0.00 H new ATOM 0 HA ASP A 69 -4.479 25.592 -4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.482 25.688 -7.176 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.470 27.108 -7.003 1.00 0.00 H new ATOM 1116 N PHE A 70 -4.723 23.185 -6.087 1.00 0.00 N ATOM 1117 CA PHE A 70 -4.630 21.718 -6.251 1.00 0.00 C ATOM 1118 C PHE A 70 -3.645 21.401 -7.374 1.00 0.00 C ATOM 1119 O PHE A 70 -2.868 20.486 -7.274 1.00 0.00 O ATOM 1120 CB PHE A 70 -6.026 21.178 -6.586 1.00 0.00 C ATOM 1121 CG PHE A 70 -5.961 19.728 -7.024 1.00 0.00 C ATOM 1122 CD1 PHE A 70 -5.253 18.783 -6.268 1.00 0.00 C ATOM 1123 CD2 PHE A 70 -6.627 19.325 -8.188 1.00 0.00 C ATOM 1124 CE1 PHE A 70 -5.211 17.450 -6.677 1.00 0.00 C ATOM 1125 CE2 PHE A 70 -6.585 17.993 -8.593 1.00 0.00 C ATOM 1126 CZ PHE A 70 -5.876 17.052 -7.840 1.00 0.00 C ATOM 0 H PHE A 70 -5.673 23.555 -6.054 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.273 21.248 -5.334 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.673 21.269 -5.714 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.472 21.780 -7.378 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.740 19.087 -5.368 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.175 20.049 -8.773 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.664 16.724 -6.094 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.101 17.686 -9.491 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.842 16.020 -8.156 1.00 0.00 H new ATOM 1136 N GLN A 71 -3.661 22.151 -8.437 1.00 0.00 N ATOM 1137 CA GLN A 71 -2.699 21.881 -9.545 1.00 0.00 C ATOM 1138 C GLN A 71 -1.257 22.133 -9.078 1.00 0.00 C ATOM 1139 O GLN A 71 -0.390 21.299 -9.239 1.00 0.00 O ATOM 1140 CB GLN A 71 -3.034 22.809 -10.727 1.00 0.00 C ATOM 1141 CG GLN A 71 -1.868 22.853 -11.724 1.00 0.00 C ATOM 1142 CD GLN A 71 -2.318 23.554 -13.007 1.00 0.00 C ATOM 1143 OE1 GLN A 71 -3.498 23.654 -13.277 1.00 0.00 O ATOM 1144 NE2 GLN A 71 -1.420 24.048 -13.816 1.00 0.00 N ATOM 0 H GLN A 71 -4.294 22.936 -8.589 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.783 20.838 -9.852 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.936 22.458 -11.228 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.244 23.814 -10.360 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.021 23.382 -11.286 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.530 21.841 -11.949 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.429 23.964 -13.590 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.710 24.517 -14.674 1.00 0.00 H new ATOM 1153 N GLU A 72 -0.988 23.286 -8.537 1.00 0.00 N ATOM 1154 CA GLU A 72 0.404 23.596 -8.102 1.00 0.00 C ATOM 1155 C GLU A 72 0.875 22.612 -7.022 1.00 0.00 C ATOM 1156 O GLU A 72 2.001 22.149 -7.038 1.00 0.00 O ATOM 1157 CB GLU A 72 0.445 25.035 -7.585 1.00 0.00 C ATOM 1158 CG GLU A 72 0.295 26.000 -8.766 1.00 0.00 C ATOM 1159 CD GLU A 72 0.276 27.442 -8.256 1.00 0.00 C ATOM 1160 OE1 GLU A 72 0.591 27.644 -7.099 1.00 0.00 O ATOM 1161 OE2 GLU A 72 -0.060 28.321 -9.033 1.00 0.00 O ATOM 0 H GLU A 72 -1.669 24.028 -8.376 1.00 0.00 H new ATOM 0 HA GLU A 72 1.082 23.492 -8.949 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.356 25.198 -6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.385 25.221 -7.065 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.119 25.863 -9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.625 25.784 -9.309 1.00 0.00 H new ATOM 1168 N PHE A 73 0.022 22.265 -6.104 1.00 0.00 N ATOM 1169 CA PHE A 73 0.414 21.294 -5.045 1.00 0.00 C ATOM 1170 C PHE A 73 0.699 19.931 -5.681 1.00 0.00 C ATOM 1171 O PHE A 73 1.580 19.200 -5.265 1.00 0.00 O ATOM 1172 CB PHE A 73 -0.732 21.168 -4.035 1.00 0.00 C ATOM 1173 CG PHE A 73 -0.463 20.012 -3.103 1.00 0.00 C ATOM 1174 CD1 PHE A 73 0.263 20.212 -1.927 1.00 0.00 C ATOM 1175 CD2 PHE A 73 -0.937 18.737 -3.428 1.00 0.00 C ATOM 1176 CE1 PHE A 73 0.515 19.134 -1.070 1.00 0.00 C ATOM 1177 CE2 PHE A 73 -0.686 17.659 -2.574 1.00 0.00 C ATOM 1178 CZ PHE A 73 0.039 17.857 -1.394 1.00 0.00 C ATOM 0 H PHE A 73 -0.935 22.613 -6.039 1.00 0.00 H new ATOM 0 HA PHE A 73 1.312 21.643 -4.536 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.831 22.092 -3.465 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.676 21.014 -4.558 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.630 21.197 -1.679 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.497 18.585 -4.339 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.076 19.287 -0.160 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.051 16.674 -2.825 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.232 17.025 -0.733 1.00 0.00 H new ATOM 1188 N MET A 74 -0.061 19.585 -6.675 1.00 0.00 N ATOM 1189 CA MET A 74 0.116 18.273 -7.349 1.00 0.00 C ATOM 1190 C MET A 74 1.522 18.151 -7.942 1.00 0.00 C ATOM 1191 O MET A 74 2.124 17.092 -7.927 1.00 0.00 O ATOM 1192 CB MET A 74 -0.945 18.134 -8.453 1.00 0.00 C ATOM 1193 CG MET A 74 -2.261 17.613 -7.854 1.00 0.00 C ATOM 1194 SD MET A 74 -2.038 15.910 -7.281 1.00 0.00 S ATOM 1195 CE MET A 74 -1.709 15.160 -8.890 1.00 0.00 C ATOM 0 H MET A 74 -0.809 20.164 -7.056 1.00 0.00 H new ATOM 0 HA MET A 74 -0.006 17.474 -6.618 1.00 0.00 H new ATOM 0 HB2 MET A 74 -1.111 19.098 -8.933 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.591 17.450 -9.225 1.00 0.00 H new ATOM 0 HG2 MET A 74 -2.571 18.248 -7.024 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.054 17.655 -8.601 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.856 14.082 -8.826 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.392 15.575 -9.631 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.681 15.369 -9.186 1.00 0.00 H new ATOM 1205 N ALA A 75 2.045 19.204 -8.492 1.00 0.00 N ATOM 1206 CA ALA A 75 3.397 19.101 -9.105 1.00 0.00 C ATOM 1207 C ALA A 75 4.464 18.878 -8.030 1.00 0.00 C ATOM 1208 O ALA A 75 5.470 18.242 -8.269 1.00 0.00 O ATOM 1209 CB ALA A 75 3.699 20.371 -9.914 1.00 0.00 C ATOM 0 H ALA A 75 1.604 20.122 -8.545 1.00 0.00 H new ATOM 0 HA ALA A 75 3.414 18.243 -9.777 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.690 20.291 -10.361 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.954 20.487 -10.701 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.667 21.238 -9.255 1.00 0.00 H new ATOM 1215 N PHE A 76 4.252 19.376 -6.853 1.00 0.00 N ATOM 1216 CA PHE A 76 5.255 19.171 -5.768 1.00 0.00 C ATOM 1217 C PHE A 76 5.420 17.681 -5.523 1.00 0.00 C ATOM 1218 O PHE A 76 6.498 17.187 -5.288 1.00 0.00 O ATOM 1219 CB PHE A 76 4.743 19.838 -4.492 1.00 0.00 C ATOM 1220 CG PHE A 76 5.724 19.623 -3.361 1.00 0.00 C ATOM 1221 CD1 PHE A 76 7.017 20.153 -3.443 1.00 0.00 C ATOM 1222 CD2 PHE A 76 5.340 18.891 -2.228 1.00 0.00 C ATOM 1223 CE1 PHE A 76 7.923 19.953 -2.395 1.00 0.00 C ATOM 1224 CE2 PHE A 76 6.246 18.693 -1.182 1.00 0.00 C ATOM 1225 CZ PHE A 76 7.538 19.225 -1.265 1.00 0.00 C ATOM 0 H PHE A 76 3.429 19.918 -6.588 1.00 0.00 H new ATOM 0 HA PHE A 76 6.213 19.605 -6.055 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.601 20.905 -4.662 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.770 19.426 -4.223 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.316 20.716 -4.315 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.343 18.480 -2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.921 20.361 -2.459 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.949 18.130 -0.310 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.238 19.073 -0.456 1.00 0.00 H new ATOM 1235 N VAL A 77 4.343 16.983 -5.564 1.00 0.00 N ATOM 1236 CA VAL A 77 4.357 15.513 -5.331 1.00 0.00 C ATOM 1237 C VAL A 77 5.234 14.815 -6.366 1.00 0.00 C ATOM 1238 O VAL A 77 5.932 13.873 -6.063 1.00 0.00 O ATOM 1239 CB VAL A 77 2.921 14.991 -5.444 1.00 0.00 C ATOM 1240 CG1 VAL A 77 2.770 13.687 -4.656 1.00 0.00 C ATOM 1241 CG2 VAL A 77 1.969 16.051 -4.892 1.00 0.00 C ATOM 0 H VAL A 77 3.419 17.371 -5.754 1.00 0.00 H new ATOM 0 HA VAL A 77 4.762 15.307 -4.340 1.00 0.00 H new ATOM 0 HB VAL A 77 2.684 14.790 -6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.745 13.326 -4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.454 12.939 -5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.003 13.867 -3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.942 15.692 -4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.210 16.248 -3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.075 16.970 -5.468 1.00 0.00 H new ATOM 1251 N SER A 78 5.175 15.246 -7.588 1.00 0.00 N ATOM 1252 CA SER A 78 5.984 14.579 -8.645 1.00 0.00 C ATOM 1253 C SER A 78 7.472 14.801 -8.400 1.00 0.00 C ATOM 1254 O SER A 78 8.282 13.921 -8.611 1.00 0.00 O ATOM 1255 CB SER A 78 5.615 15.156 -10.010 1.00 0.00 C ATOM 1256 OG SER A 78 6.569 14.731 -10.975 1.00 0.00 O ATOM 0 H SER A 78 4.604 16.030 -7.905 1.00 0.00 H new ATOM 0 HA SER A 78 5.774 13.510 -8.620 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.617 14.826 -10.299 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.590 16.245 -9.962 1.00 0.00 H new ATOM 0 HG SER A 78 6.888 15.506 -11.483 1.00 0.00 H new ATOM 1262 N MET A 79 7.844 15.975 -7.988 1.00 0.00 N ATOM 1263 CA MET A 79 9.291 16.249 -7.771 1.00 0.00 C ATOM 1264 C MET A 79 9.829 15.486 -6.554 1.00 0.00 C ATOM 1265 O MET A 79 10.926 14.956 -6.577 1.00 0.00 O ATOM 1266 CB MET A 79 9.476 17.746 -7.549 1.00 0.00 C ATOM 1267 CG MET A 79 9.026 18.525 -8.787 1.00 0.00 C ATOM 1268 SD MET A 79 8.700 20.247 -8.325 1.00 0.00 S ATOM 1269 CE MET A 79 10.197 20.525 -7.342 1.00 0.00 C ATOM 0 H MET A 79 7.216 16.754 -7.792 1.00 0.00 H new ATOM 0 HA MET A 79 9.844 15.916 -8.649 1.00 0.00 H new ATOM 0 HB2 MET A 79 8.900 18.066 -6.680 1.00 0.00 H new ATOM 0 HB3 MET A 79 10.523 17.962 -7.335 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.796 18.483 -9.557 1.00 0.00 H new ATOM 0 HG3 MET A 79 8.128 18.073 -9.209 1.00 0.00 H new ATOM 0 HE1 MET A 79 10.248 21.573 -7.046 1.00 0.00 H new ATOM 0 HE2 MET A 79 10.169 19.897 -6.452 1.00 0.00 H new ATOM 0 HE3 MET A 79 11.075 20.273 -7.937 1.00 0.00 H new ATOM 1279 N VAL A 80 9.080 15.429 -5.491 1.00 0.00 N ATOM 1280 CA VAL A 80 9.570 14.709 -4.279 1.00 0.00 C ATOM 1281 C VAL A 80 9.607 13.208 -4.558 1.00 0.00 C ATOM 1282 O VAL A 80 10.452 12.491 -4.057 1.00 0.00 O ATOM 1283 CB VAL A 80 8.654 14.991 -3.087 1.00 0.00 C ATOM 1284 CG1 VAL A 80 9.176 14.232 -1.863 1.00 0.00 C ATOM 1285 CG2 VAL A 80 8.645 16.495 -2.787 1.00 0.00 C ATOM 0 H VAL A 80 8.153 15.847 -5.406 1.00 0.00 H new ATOM 0 HA VAL A 80 10.574 15.060 -4.040 1.00 0.00 H new ATOM 0 HB VAL A 80 7.641 14.665 -3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.528 14.429 -1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.184 13.163 -2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.189 14.564 -1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.991 16.693 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.657 16.825 -2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.280 17.038 -3.659 1.00 0.00 H new ATOM 1295 N THR A 81 8.698 12.727 -5.355 1.00 0.00 N ATOM 1296 CA THR A 81 8.676 11.272 -5.670 1.00 0.00 C ATOM 1297 C THR A 81 9.993 10.899 -6.327 1.00 0.00 C ATOM 1298 O THR A 81 10.566 9.860 -6.071 1.00 0.00 O ATOM 1299 CB THR A 81 7.543 10.970 -6.645 1.00 0.00 C ATOM 1300 OG1 THR A 81 6.303 11.338 -6.067 1.00 0.00 O ATOM 1301 CG2 THR A 81 7.546 9.473 -6.987 1.00 0.00 C ATOM 0 H THR A 81 7.967 13.279 -5.804 1.00 0.00 H new ATOM 0 HA THR A 81 8.528 10.703 -4.752 1.00 0.00 H new ATOM 0 HB THR A 81 7.688 11.544 -7.560 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.075 12.252 -6.336 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.736 9.257 -7.684 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.499 9.206 -7.444 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.405 8.891 -6.076 1.00 0.00 H new ATOM 1309 N THR A 82 10.474 11.749 -7.178 1.00 0.00 N ATOM 1310 CA THR A 82 11.751 11.470 -7.865 1.00 0.00 C ATOM 1311 C THR A 82 12.818 11.248 -6.797 1.00 0.00 C ATOM 1312 O THR A 82 13.675 10.389 -6.918 1.00 0.00 O ATOM 1313 CB THR A 82 12.122 12.670 -8.743 1.00 0.00 C ATOM 1314 OG1 THR A 82 10.966 13.103 -9.448 1.00 0.00 O ATOM 1315 CG2 THR A 82 13.198 12.261 -9.752 1.00 0.00 C ATOM 0 H THR A 82 10.032 12.633 -7.429 1.00 0.00 H new ATOM 0 HA THR A 82 11.669 10.586 -8.498 1.00 0.00 H new ATOM 0 HB THR A 82 12.502 13.475 -8.114 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.195 13.872 -10.011 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.458 13.118 -10.374 1.00 0.00 H new ATOM 0 HG22 THR A 82 14.084 11.917 -9.219 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.819 11.457 -10.383 1.00 0.00 H new ATOM 1323 N ALA A 83 12.754 11.998 -5.732 1.00 0.00 N ATOM 1324 CA ALA A 83 13.740 11.811 -4.637 1.00 0.00 C ATOM 1325 C ALA A 83 13.607 10.375 -4.121 1.00 0.00 C ATOM 1326 O ALA A 83 14.581 9.721 -3.808 1.00 0.00 O ATOM 1327 CB ALA A 83 13.452 12.812 -3.505 1.00 0.00 C ATOM 0 H ALA A 83 12.062 12.731 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 83 14.753 11.985 -4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.177 12.673 -2.703 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.528 13.829 -3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.447 12.645 -3.119 1.00 0.00 H new ATOM 1333 N CYS A 84 12.399 9.884 -4.040 1.00 0.00 N ATOM 1334 CA CYS A 84 12.185 8.491 -3.556 1.00 0.00 C ATOM 1335 C CYS A 84 12.916 7.513 -4.477 1.00 0.00 C ATOM 1336 O CYS A 84 13.395 6.486 -4.041 1.00 0.00 O ATOM 1337 CB CYS A 84 10.690 8.164 -3.557 1.00 0.00 C ATOM 1338 SG CYS A 84 9.786 9.475 -2.698 1.00 0.00 S ATOM 0 H CYS A 84 11.549 10.390 -4.289 1.00 0.00 H new ATOM 0 HA CYS A 84 12.574 8.402 -2.542 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.328 8.069 -4.581 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.516 7.206 -3.067 1.00 0.00 H new ATOM 0 HG CYS A 84 9.998 10.611 -3.294 1.00 0.00 H new ATOM 1344 N HIS A 85 13.012 7.813 -5.750 1.00 0.00 N ATOM 1345 CA HIS A 85 13.718 6.874 -6.661 1.00 0.00 C ATOM 1346 C HIS A 85 15.144 6.685 -6.159 1.00 0.00 C ATOM 1347 O HIS A 85 15.634 5.577 -6.060 1.00 0.00 O ATOM 1348 CB HIS A 85 13.755 7.456 -8.075 1.00 0.00 C ATOM 1349 CG HIS A 85 14.499 6.512 -8.978 1.00 0.00 C ATOM 1350 ND1 HIS A 85 15.809 6.749 -9.374 1.00 0.00 N ATOM 1351 CD2 HIS A 85 14.142 5.320 -9.557 1.00 0.00 C ATOM 1352 CE1 HIS A 85 16.189 5.721 -10.155 1.00 0.00 C ATOM 1353 NE2 HIS A 85 15.210 4.826 -10.297 1.00 0.00 N ATOM 0 H HIS A 85 12.637 8.655 -6.187 1.00 0.00 H new ATOM 0 HA HIS A 85 13.195 5.918 -6.680 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.741 7.609 -8.445 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.242 8.431 -8.067 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.180 4.840 -9.454 1.00 0.00 H new ATOM 0 HE1 HIS A 85 17.164 5.632 -10.610 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.239 3.960 -10.836 1.00 0.00 H new ATOM 1362 N GLU A 86 15.812 7.748 -5.817 1.00 0.00 N ATOM 1363 CA GLU A 86 17.197 7.600 -5.297 1.00 0.00 C ATOM 1364 C GLU A 86 17.156 6.760 -4.019 1.00 0.00 C ATOM 1365 O GLU A 86 18.002 5.922 -3.781 1.00 0.00 O ATOM 1366 CB GLU A 86 17.773 8.984 -4.978 1.00 0.00 C ATOM 1367 CG GLU A 86 19.242 8.853 -4.553 1.00 0.00 C ATOM 1368 CD GLU A 86 19.332 8.355 -3.106 1.00 0.00 C ATOM 1369 OE1 GLU A 86 18.368 8.522 -2.377 1.00 0.00 O ATOM 1370 OE2 GLU A 86 20.365 7.810 -2.752 1.00 0.00 O ATOM 0 H GLU A 86 15.463 8.705 -5.874 1.00 0.00 H new ATOM 0 HA GLU A 86 17.824 7.112 -6.043 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.694 9.630 -5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.195 9.453 -4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.760 8.160 -5.217 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.742 9.817 -4.645 1.00 0.00 H new ATOM 1377 N PHE A 87 16.172 6.992 -3.196 1.00 0.00 N ATOM 1378 CA PHE A 87 16.053 6.230 -1.922 1.00 0.00 C ATOM 1379 C PHE A 87 15.599 4.799 -2.206 1.00 0.00 C ATOM 1380 O PHE A 87 16.205 3.842 -1.767 1.00 0.00 O ATOM 1381 CB PHE A 87 15.028 6.917 -1.019 1.00 0.00 C ATOM 1382 CG PHE A 87 14.974 6.205 0.310 1.00 0.00 C ATOM 1383 CD1 PHE A 87 14.106 5.122 0.486 1.00 0.00 C ATOM 1384 CD2 PHE A 87 15.789 6.630 1.365 1.00 0.00 C ATOM 1385 CE1 PHE A 87 14.054 4.461 1.718 1.00 0.00 C ATOM 1386 CE2 PHE A 87 15.737 5.969 2.598 1.00 0.00 C ATOM 1387 CZ PHE A 87 14.869 4.885 2.774 1.00 0.00 C ATOM 0 H PHE A 87 15.439 7.683 -3.353 1.00 0.00 H new ATOM 0 HA PHE A 87 17.025 6.203 -1.429 1.00 0.00 H new ATOM 0 HB2 PHE A 87 15.299 7.963 -0.873 1.00 0.00 H new ATOM 0 HB3 PHE A 87 14.045 6.905 -1.491 1.00 0.00 H new ATOM 0 HD1 PHE A 87 13.476 4.796 -0.329 1.00 0.00 H new ATOM 0 HD2 PHE A 87 16.458 7.467 1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 87 13.385 3.624 1.854 1.00 0.00 H new ATOM 0 HE2 PHE A 87 16.366 6.295 3.413 1.00 0.00 H new ATOM 0 HZ PHE A 87 14.828 4.375 3.725 1.00 0.00 H new ATOM 1397 N PHE A 88 14.525 4.651 -2.934 1.00 0.00 N ATOM 1398 CA PHE A 88 14.006 3.289 -3.253 1.00 0.00 C ATOM 1399 C PHE A 88 14.573 2.849 -4.602 1.00 0.00 C ATOM 1400 O PHE A 88 13.862 2.730 -5.581 1.00 0.00 O ATOM 1401 CB PHE A 88 12.468 3.348 -3.304 1.00 0.00 C ATOM 1402 CG PHE A 88 11.891 2.110 -3.970 1.00 0.00 C ATOM 1403 CD1 PHE A 88 12.304 0.829 -3.571 1.00 0.00 C ATOM 1404 CD2 PHE A 88 10.930 2.247 -4.984 1.00 0.00 C ATOM 1405 CE1 PHE A 88 11.759 -0.306 -4.185 1.00 0.00 C ATOM 1406 CE2 PHE A 88 10.389 1.111 -5.596 1.00 0.00 C ATOM 1407 CZ PHE A 88 10.803 -0.165 -5.197 1.00 0.00 C ATOM 0 H PHE A 88 13.981 5.421 -3.324 1.00 0.00 H new ATOM 0 HA PHE A 88 14.309 2.570 -2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.071 3.438 -2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 88 12.154 4.237 -3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 88 13.042 0.719 -2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.608 3.231 -5.292 1.00 0.00 H new ATOM 0 HE1 PHE A 88 12.077 -1.291 -3.877 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.651 1.219 -6.377 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.385 -1.041 -5.670 1.00 0.00 H new ATOM 1464 N MET B 0 -5.579 8.226 2.442 1.00 0.00 N ATOM 1465 CA MET B 0 -5.272 8.449 3.884 1.00 0.00 C ATOM 1466 C MET B 0 -3.759 8.379 4.095 1.00 0.00 C ATOM 1467 O MET B 0 -3.209 7.328 4.359 1.00 0.00 O ATOM 1468 CB MET B 0 -5.950 7.362 4.720 1.00 0.00 C ATOM 1469 CG MET B 0 -7.468 7.519 4.634 1.00 0.00 C ATOM 1470 SD MET B 0 -8.261 6.203 5.591 1.00 0.00 S ATOM 1471 CE MET B 0 -9.973 6.672 5.243 1.00 0.00 C ATOM 0 H1 MET B 0 -6.568 8.487 2.253 1.00 0.00 H new ATOM 0 H2 MET B 0 -4.948 8.812 1.858 1.00 0.00 H new ATOM 0 H3 MET B 0 -5.435 7.223 2.208 1.00 0.00 H new ATOM 0 HA MET B 0 -5.640 9.428 4.190 1.00 0.00 H new ATOM 0 HB2 MET B 0 -5.656 6.376 4.360 1.00 0.00 H new ATOM 0 HB3 MET B 0 -5.625 7.432 5.758 1.00 0.00 H new ATOM 0 HG2 MET B 0 -7.767 8.494 5.018 1.00 0.00 H new ATOM 0 HG3 MET B 0 -7.791 7.474 3.594 1.00 0.00 H new ATOM 0 HE1 MET B 0 -10.649 5.980 5.745 1.00 0.00 H new ATOM 0 HE2 MET B 0 -10.154 7.684 5.606 1.00 0.00 H new ATOM 0 HE3 MET B 0 -10.149 6.635 4.168 1.00 0.00 H new ATOM 1483 N SER B 1 -3.079 9.485 3.975 1.00 0.00 N ATOM 1484 CA SER B 1 -1.596 9.471 4.165 1.00 0.00 C ATOM 1485 C SER B 1 -0.976 8.372 3.302 1.00 0.00 C ATOM 1486 O SER B 1 0.193 8.062 3.414 1.00 0.00 O ATOM 1487 CB SER B 1 -1.262 9.204 5.635 1.00 0.00 C ATOM 1488 OG SER B 1 -1.507 7.836 5.931 1.00 0.00 O ATOM 0 H SER B 1 -3.481 10.396 3.755 1.00 0.00 H new ATOM 0 HA SER B 1 -1.193 10.440 3.871 1.00 0.00 H new ATOM 0 HB2 SER B 1 -0.219 9.450 5.833 1.00 0.00 H new ATOM 0 HB3 SER B 1 -1.868 9.842 6.279 1.00 0.00 H new ATOM 0 HG SER B 1 -1.978 7.418 5.180 1.00 0.00 H new ATOM 1494 N GLU B 2 -1.748 7.798 2.428 1.00 0.00 N ATOM 1495 CA GLU B 2 -1.218 6.737 1.533 1.00 0.00 C ATOM 1496 C GLU B 2 -0.375 7.398 0.447 1.00 0.00 C ATOM 1497 O GLU B 2 -0.115 6.827 -0.592 1.00 0.00 O ATOM 1498 CB GLU B 2 -2.384 5.978 0.899 1.00 0.00 C ATOM 1499 CG GLU B 2 -3.243 6.946 0.082 1.00 0.00 C ATOM 1500 CD GLU B 2 -4.485 6.219 -0.437 1.00 0.00 C ATOM 1501 OE1 GLU B 2 -4.401 5.021 -0.655 1.00 0.00 O ATOM 1502 OE2 GLU B 2 -5.499 6.875 -0.613 1.00 0.00 O ATOM 0 H GLU B 2 -2.734 8.021 2.294 1.00 0.00 H new ATOM 0 HA GLU B 2 -0.606 6.034 2.099 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -2.007 5.181 0.258 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -2.988 5.505 1.674 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -3.538 7.795 0.698 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -2.666 7.343 -0.753 1.00 0.00 H new ATOM 1509 N LEU B 3 0.039 8.611 0.678 1.00 0.00 N ATOM 1510 CA LEU B 3 0.845 9.328 -0.335 1.00 0.00 C ATOM 1511 C LEU B 3 2.127 8.550 -0.605 1.00 0.00 C ATOM 1512 O LEU B 3 2.596 8.487 -1.718 1.00 0.00 O ATOM 1513 CB LEU B 3 1.177 10.731 0.182 1.00 0.00 C ATOM 1514 CG LEU B 3 1.998 11.513 -0.879 1.00 0.00 C ATOM 1515 CD1 LEU B 3 1.530 12.972 -0.928 1.00 0.00 C ATOM 1516 CD2 LEU B 3 3.493 11.468 -0.527 1.00 0.00 C ATOM 0 H LEU B 3 -0.150 9.136 1.532 1.00 0.00 H new ATOM 0 HA LEU B 3 0.281 9.415 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU B 3 0.257 11.270 0.410 1.00 0.00 H new ATOM 0 HB3 LEU B 3 1.743 10.660 1.111 1.00 0.00 H new ATOM 0 HG LEU B 3 1.844 11.049 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU B 3 2.110 13.515 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU B 3 0.473 13.006 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU B 3 1.673 13.433 0.049 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.060 12.019 -1.277 1.00 0.00 H new ATOM 0 HD22 LEU B 3 3.650 11.921 0.452 1.00 0.00 H new ATOM 0 HD23 LEU B 3 3.831 10.432 -0.506 1.00 0.00 H new ATOM 1528 N GLU B 4 2.700 7.960 0.403 1.00 0.00 N ATOM 1529 CA GLU B 4 3.960 7.189 0.192 1.00 0.00 C ATOM 1530 C GLU B 4 3.695 6.059 -0.805 1.00 0.00 C ATOM 1531 O GLU B 4 4.515 5.755 -1.645 1.00 0.00 O ATOM 1532 CB GLU B 4 4.439 6.618 1.534 1.00 0.00 C ATOM 1533 CG GLU B 4 3.412 5.618 2.076 1.00 0.00 C ATOM 1534 CD GLU B 4 3.837 5.157 3.472 1.00 0.00 C ATOM 1535 OE1 GLU B 4 5.005 5.305 3.794 1.00 0.00 O ATOM 1536 OE2 GLU B 4 2.987 4.665 4.197 1.00 0.00 O ATOM 0 H GLU B 4 2.354 7.976 1.362 1.00 0.00 H new ATOM 0 HA GLU B 4 4.736 7.842 -0.208 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.404 6.127 1.406 1.00 0.00 H new ATOM 0 HB3 GLU B 4 4.585 7.426 2.251 1.00 0.00 H new ATOM 0 HG2 GLU B 4 2.426 6.080 2.118 1.00 0.00 H new ATOM 0 HG3 GLU B 4 3.334 4.761 1.406 1.00 0.00 H new ATOM 1543 N LYS B 5 2.549 5.448 -0.727 1.00 0.00 N ATOM 1544 CA LYS B 5 2.209 4.351 -1.679 1.00 0.00 C ATOM 1545 C LYS B 5 2.190 4.897 -3.103 1.00 0.00 C ATOM 1546 O LYS B 5 2.621 4.245 -4.028 1.00 0.00 O ATOM 1547 CB LYS B 5 0.812 3.827 -1.332 1.00 0.00 C ATOM 1548 CG LYS B 5 0.388 2.697 -2.290 1.00 0.00 C ATOM 1549 CD LYS B 5 -1.130 2.479 -2.189 1.00 0.00 C ATOM 1550 CE LYS B 5 -1.892 3.714 -2.721 1.00 0.00 C ATOM 1551 NZ LYS B 5 -3.173 3.274 -3.343 1.00 0.00 N ATOM 0 H LYS B 5 1.826 5.661 -0.040 1.00 0.00 H new ATOM 0 HA LYS B 5 2.948 3.553 -1.606 1.00 0.00 H new ATOM 0 HB2 LYS B 5 0.803 3.460 -0.306 1.00 0.00 H new ATOM 0 HB3 LYS B 5 0.091 4.643 -1.385 1.00 0.00 H new ATOM 0 HG2 LYS B 5 0.662 2.952 -3.314 1.00 0.00 H new ATOM 0 HG3 LYS B 5 0.915 1.777 -2.039 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -1.415 1.595 -2.760 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -1.408 2.292 -1.152 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -2.091 4.411 -1.907 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -1.282 4.244 -3.453 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -3.363 3.848 -4.189 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -3.102 2.272 -3.613 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -3.949 3.394 -2.661 1.00 0.00 H new ATOM 1565 N ALA B 6 1.661 6.068 -3.291 1.00 0.00 N ATOM 1566 CA ALA B 6 1.582 6.634 -4.665 1.00 0.00 C ATOM 1567 C ALA B 6 2.977 6.945 -5.196 1.00 0.00 C ATOM 1568 O ALA B 6 3.266 6.734 -6.353 1.00 0.00 O ATOM 1569 CB ALA B 6 0.738 7.910 -4.643 1.00 0.00 C ATOM 0 H ALA B 6 1.279 6.660 -2.554 1.00 0.00 H new ATOM 0 HA ALA B 6 1.117 5.900 -5.323 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.680 8.325 -5.649 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -0.266 7.676 -4.288 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.198 8.639 -3.976 1.00 0.00 H new ATOM 1575 N MET B 7 3.836 7.459 -4.372 1.00 0.00 N ATOM 1576 CA MET B 7 5.205 7.797 -4.839 1.00 0.00 C ATOM 1577 C MET B 7 5.924 6.530 -5.293 1.00 0.00 C ATOM 1578 O MET B 7 6.634 6.511 -6.282 1.00 0.00 O ATOM 1579 CB MET B 7 5.979 8.432 -3.683 1.00 0.00 C ATOM 1580 CG MET B 7 5.377 9.797 -3.360 1.00 0.00 C ATOM 1581 SD MET B 7 6.472 10.674 -2.215 1.00 0.00 S ATOM 1582 CE MET B 7 6.252 12.338 -2.894 1.00 0.00 C ATOM 0 H MET B 7 3.650 7.662 -3.390 1.00 0.00 H new ATOM 0 HA MET B 7 5.145 8.493 -5.676 1.00 0.00 H new ATOM 0 HB2 MET B 7 5.938 7.787 -2.805 1.00 0.00 H new ATOM 0 HB3 MET B 7 7.030 8.540 -3.950 1.00 0.00 H new ATOM 0 HG2 MET B 7 5.248 10.376 -4.274 1.00 0.00 H new ATOM 0 HG3 MET B 7 4.389 9.676 -2.917 1.00 0.00 H new ATOM 0 HE1 MET B 7 6.492 13.077 -2.130 1.00 0.00 H new ATOM 0 HE2 MET B 7 6.914 12.472 -3.749 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.218 12.467 -3.212 1.00 0.00 H new ATOM 1592 N VAL B 8 5.734 5.475 -4.569 1.00 0.00 N ATOM 1593 CA VAL B 8 6.384 4.186 -4.917 1.00 0.00 C ATOM 1594 C VAL B 8 5.792 3.652 -6.217 1.00 0.00 C ATOM 1595 O VAL B 8 6.471 3.049 -7.018 1.00 0.00 O ATOM 1596 CB VAL B 8 6.155 3.183 -3.778 1.00 0.00 C ATOM 1597 CG1 VAL B 8 6.588 1.776 -4.219 1.00 0.00 C ATOM 1598 CG2 VAL B 8 6.974 3.614 -2.552 1.00 0.00 C ATOM 0 H VAL B 8 5.146 5.447 -3.736 1.00 0.00 H new ATOM 0 HA VAL B 8 7.455 4.335 -5.053 1.00 0.00 H new ATOM 0 HB VAL B 8 5.095 3.163 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL B 8 6.421 1.072 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL B 8 6.004 1.471 -5.087 1.00 0.00 H new ATOM 0 HG13 VAL B 8 7.646 1.786 -4.479 1.00 0.00 H new ATOM 0 HG21 VAL B 8 6.815 2.904 -1.740 1.00 0.00 H new ATOM 0 HG22 VAL B 8 8.032 3.637 -2.811 1.00 0.00 H new ATOM 0 HG23 VAL B 8 6.657 4.607 -2.233 1.00 0.00 H new ATOM 1608 N ALA B 9 4.521 3.842 -6.410 1.00 0.00 N ATOM 1609 CA ALA B 9 3.857 3.320 -7.641 1.00 0.00 C ATOM 1610 C ALA B 9 4.357 4.043 -8.896 1.00 0.00 C ATOM 1611 O ALA B 9 4.546 3.435 -9.926 1.00 0.00 O ATOM 1612 CB ALA B 9 2.352 3.517 -7.521 1.00 0.00 C ATOM 0 H ALA B 9 3.906 4.339 -5.766 1.00 0.00 H new ATOM 0 HA ALA B 9 4.099 2.261 -7.735 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.863 3.137 -8.418 1.00 0.00 H new ATOM 0 HB2 ALA B 9 1.983 2.976 -6.650 1.00 0.00 H new ATOM 0 HB3 ALA B 9 2.132 4.579 -7.410 1.00 0.00 H new ATOM 1618 N LEU B 10 4.558 5.329 -8.836 1.00 0.00 N ATOM 1619 CA LEU B 10 5.029 6.052 -10.055 1.00 0.00 C ATOM 1620 C LEU B 10 6.369 5.466 -10.482 1.00 0.00 C ATOM 1621 O LEU B 10 6.641 5.291 -11.650 1.00 0.00 O ATOM 1622 CB LEU B 10 5.182 7.560 -9.748 1.00 0.00 C ATOM 1623 CG LEU B 10 3.943 8.327 -10.218 1.00 0.00 C ATOM 1624 CD1 LEU B 10 2.727 7.881 -9.410 1.00 0.00 C ATOM 1625 CD2 LEU B 10 4.172 9.827 -10.023 1.00 0.00 C ATOM 0 H LEU B 10 4.419 5.908 -8.007 1.00 0.00 H new ATOM 0 HA LEU B 10 4.303 5.935 -10.859 1.00 0.00 H new ATOM 0 HB2 LEU B 10 5.325 7.707 -8.677 1.00 0.00 H new ATOM 0 HB3 LEU B 10 6.070 7.951 -10.245 1.00 0.00 H new ATOM 0 HG LEU B 10 3.765 8.122 -11.274 1.00 0.00 H new ATOM 0 HD11 LEU B 10 1.846 8.428 -9.746 1.00 0.00 H new ATOM 0 HD12 LEU B 10 2.567 6.812 -9.553 1.00 0.00 H new ATOM 0 HD13 LEU B 10 2.898 8.084 -8.353 1.00 0.00 H new ATOM 0 HD21 LEU B 10 3.291 10.376 -10.357 1.00 0.00 H new ATOM 0 HD22 LEU B 10 4.350 10.034 -8.968 1.00 0.00 H new ATOM 0 HD23 LEU B 10 5.038 10.142 -10.605 1.00 0.00 H new ATOM 1637 N ILE B 11 7.202 5.168 -9.539 1.00 0.00 N ATOM 1638 CA ILE B 11 8.527 4.593 -9.871 1.00 0.00 C ATOM 1639 C ILE B 11 8.374 3.164 -10.423 1.00 0.00 C ATOM 1640 O ILE B 11 9.090 2.766 -11.317 1.00 0.00 O ATOM 1641 CB ILE B 11 9.407 4.612 -8.612 1.00 0.00 C ATOM 1642 CG1 ILE B 11 9.823 6.065 -8.320 1.00 0.00 C ATOM 1643 CG2 ILE B 11 10.652 3.746 -8.826 1.00 0.00 C ATOM 1644 CD1 ILE B 11 10.339 6.195 -6.883 1.00 0.00 C ATOM 0 H ILE B 11 7.023 5.298 -8.543 1.00 0.00 H new ATOM 0 HA ILE B 11 9.004 5.191 -10.647 1.00 0.00 H new ATOM 0 HB ILE B 11 8.847 4.210 -7.768 1.00 0.00 H new ATOM 0 HG12 ILE B 11 10.598 6.376 -9.021 1.00 0.00 H new ATOM 0 HG13 ILE B 11 8.973 6.730 -8.469 1.00 0.00 H new ATOM 0 HG21 ILE B 11 11.269 3.767 -7.927 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.350 2.720 -9.035 1.00 0.00 H new ATOM 0 HG23 ILE B 11 11.225 4.134 -9.668 1.00 0.00 H new ATOM 0 HD11 ILE B 11 10.629 7.228 -6.693 1.00 0.00 H new ATOM 0 HD12 ILE B 11 9.553 5.905 -6.186 1.00 0.00 H new ATOM 0 HD13 ILE B 11 11.203 5.545 -6.746 1.00 0.00 H new ATOM 1656 N ASP B 12 7.476 2.380 -9.885 1.00 0.00 N ATOM 1657 CA ASP B 12 7.323 0.973 -10.378 1.00 0.00 C ATOM 1658 C ASP B 12 6.918 0.940 -11.863 1.00 0.00 C ATOM 1659 O ASP B 12 7.488 0.218 -12.656 1.00 0.00 O ATOM 1660 CB ASP B 12 6.245 0.271 -9.547 1.00 0.00 C ATOM 1661 CG ASP B 12 6.119 -1.191 -9.987 1.00 0.00 C ATOM 1662 OD1 ASP B 12 6.604 -1.515 -11.058 1.00 0.00 O ATOM 1663 OD2 ASP B 12 5.539 -1.963 -9.241 1.00 0.00 O ATOM 0 H ASP B 12 6.844 2.648 -9.130 1.00 0.00 H new ATOM 0 HA ASP B 12 8.281 0.464 -10.275 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.499 0.321 -8.488 1.00 0.00 H new ATOM 0 HB3 ASP B 12 5.289 0.781 -9.670 1.00 0.00 H new ATOM 1668 N VAL B 13 5.922 1.695 -12.231 1.00 0.00 N ATOM 1669 CA VAL B 13 5.439 1.699 -13.650 1.00 0.00 C ATOM 1670 C VAL B 13 6.489 2.350 -14.567 1.00 0.00 C ATOM 1671 O VAL B 13 6.721 1.912 -15.678 1.00 0.00 O ATOM 1672 CB VAL B 13 4.068 2.446 -13.698 1.00 0.00 C ATOM 1673 CG1 VAL B 13 4.131 3.714 -14.563 1.00 0.00 C ATOM 1674 CG2 VAL B 13 2.977 1.522 -14.263 1.00 0.00 C ATOM 0 H VAL B 13 5.412 2.319 -11.605 1.00 0.00 H new ATOM 0 HA VAL B 13 5.295 0.681 -14.012 1.00 0.00 H new ATOM 0 HB VAL B 13 3.830 2.735 -12.674 1.00 0.00 H new ATOM 0 HG11 VAL B 13 3.156 4.200 -14.567 1.00 0.00 H new ATOM 0 HG12 VAL B 13 4.875 4.397 -14.154 1.00 0.00 H new ATOM 0 HG13 VAL B 13 4.407 3.445 -15.583 1.00 0.00 H new ATOM 0 HG21 VAL B 13 2.027 2.055 -14.291 1.00 0.00 H new ATOM 0 HG22 VAL B 13 3.249 1.213 -15.272 1.00 0.00 H new ATOM 0 HG23 VAL B 13 2.880 0.642 -13.627 1.00 0.00 H new ATOM 1684 N PHE B 14 7.110 3.395 -14.118 1.00 0.00 N ATOM 1685 CA PHE B 14 8.125 4.074 -14.966 1.00 0.00 C ATOM 1686 C PHE B 14 9.240 3.093 -15.302 1.00 0.00 C ATOM 1687 O PHE B 14 9.752 3.090 -16.393 1.00 0.00 O ATOM 1688 CB PHE B 14 8.695 5.282 -14.212 1.00 0.00 C ATOM 1689 CG PHE B 14 9.872 5.856 -14.969 1.00 0.00 C ATOM 1690 CD1 PHE B 14 9.671 6.839 -15.944 1.00 0.00 C ATOM 1691 CD2 PHE B 14 11.167 5.404 -14.688 1.00 0.00 C ATOM 1692 CE1 PHE B 14 10.764 7.370 -16.640 1.00 0.00 C ATOM 1693 CE2 PHE B 14 12.260 5.934 -15.383 1.00 0.00 C ATOM 1694 CZ PHE B 14 12.059 6.917 -16.358 1.00 0.00 C ATOM 0 H PHE B 14 6.961 3.812 -13.199 1.00 0.00 H new ATOM 0 HA PHE B 14 7.662 4.418 -15.891 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.924 6.043 -14.091 1.00 0.00 H new ATOM 0 HB3 PHE B 14 9.007 4.983 -13.211 1.00 0.00 H new ATOM 0 HD1 PHE B 14 8.672 7.189 -16.160 1.00 0.00 H new ATOM 0 HD2 PHE B 14 11.323 4.646 -13.935 1.00 0.00 H new ATOM 0 HE1 PHE B 14 10.609 8.128 -17.393 1.00 0.00 H new ATOM 0 HE2 PHE B 14 13.259 5.584 -15.167 1.00 0.00 H new ATOM 0 HZ PHE B 14 12.903 7.327 -16.893 1.00 0.00 H new ATOM 1704 N HIS B 15 9.622 2.268 -14.376 1.00 0.00 N ATOM 1705 CA HIS B 15 10.706 1.285 -14.650 1.00 0.00 C ATOM 1706 C HIS B 15 10.240 0.271 -15.702 1.00 0.00 C ATOM 1707 O HIS B 15 11.034 -0.258 -16.457 1.00 0.00 O ATOM 1708 CB HIS B 15 11.070 0.561 -13.352 1.00 0.00 C ATOM 1709 CG HIS B 15 12.143 -0.458 -13.620 1.00 0.00 C ATOM 1710 ND1 HIS B 15 11.899 -1.822 -13.542 1.00 0.00 N ATOM 1711 CD2 HIS B 15 13.468 -0.332 -13.961 1.00 0.00 C ATOM 1712 CE1 HIS B 15 13.051 -2.458 -13.829 1.00 0.00 C ATOM 1713 NE2 HIS B 15 14.034 -1.595 -14.091 1.00 0.00 N ATOM 0 H HIS B 15 9.230 2.229 -13.435 1.00 0.00 H new ATOM 0 HA HIS B 15 11.582 1.808 -15.032 1.00 0.00 H new ATOM 0 HB2 HIS B 15 11.416 1.280 -12.609 1.00 0.00 H new ATOM 0 HB3 HIS B 15 10.188 0.073 -12.937 1.00 0.00 H new ATOM 0 HD2 HIS B 15 13.989 0.603 -14.106 1.00 0.00 H new ATOM 0 HE1 HIS B 15 13.165 -3.532 -13.845 1.00 0.00 H new ATOM 0 HE2 HIS B 15 14.999 -1.816 -14.336 1.00 0.00 H new ATOM 1722 N GLN B 16 8.966 -0.015 -15.752 1.00 0.00 N ATOM 1723 CA GLN B 16 8.461 -1.006 -16.743 1.00 0.00 C ATOM 1724 C GLN B 16 8.778 -0.539 -18.174 1.00 0.00 C ATOM 1725 O GLN B 16 9.154 -1.331 -19.016 1.00 0.00 O ATOM 1726 CB GLN B 16 6.943 -1.136 -16.552 1.00 0.00 C ATOM 1727 CG GLN B 16 6.337 -2.098 -17.576 1.00 0.00 C ATOM 1728 CD GLN B 16 6.961 -3.485 -17.420 1.00 0.00 C ATOM 1729 OE1 GLN B 16 7.037 -4.009 -16.326 1.00 0.00 O ATOM 1730 NE2 GLN B 16 7.401 -4.112 -18.477 1.00 0.00 N ATOM 0 H GLN B 16 8.254 0.396 -15.148 1.00 0.00 H new ATOM 0 HA GLN B 16 8.945 -1.971 -16.590 1.00 0.00 H new ATOM 0 HB2 GLN B 16 6.730 -1.492 -15.544 1.00 0.00 H new ATOM 0 HB3 GLN B 16 6.476 -0.156 -16.649 1.00 0.00 H new ATOM 0 HG2 GLN B 16 5.257 -2.158 -17.437 1.00 0.00 H new ATOM 0 HG3 GLN B 16 6.509 -1.724 -18.585 1.00 0.00 H new ATOM 0 HE21 GLN B 16 7.337 -3.672 -19.395 1.00 0.00 H new ATOM 0 HE22 GLN B 16 7.809 -5.042 -18.385 1.00 0.00 H new ATOM 1739 N TYR B 17 8.625 0.730 -18.464 1.00 0.00 N ATOM 1740 CA TYR B 17 8.913 1.231 -19.856 1.00 0.00 C ATOM 1741 C TYR B 17 10.332 1.776 -19.975 1.00 0.00 C ATOM 1742 O TYR B 17 10.871 1.870 -21.055 1.00 0.00 O ATOM 1743 CB TYR B 17 7.907 2.320 -20.223 1.00 0.00 C ATOM 1744 CG TYR B 17 6.595 1.650 -20.497 1.00 0.00 C ATOM 1745 CD1 TYR B 17 5.847 1.167 -19.431 1.00 0.00 C ATOM 1746 CD2 TYR B 17 6.149 1.475 -21.811 1.00 0.00 C ATOM 1747 CE1 TYR B 17 4.649 0.505 -19.665 1.00 0.00 C ATOM 1748 CE2 TYR B 17 4.942 0.817 -22.051 1.00 0.00 C ATOM 1749 CZ TYR B 17 4.190 0.328 -20.979 1.00 0.00 C ATOM 1750 OH TYR B 17 3.000 -0.332 -21.214 1.00 0.00 O ATOM 0 H TYR B 17 8.315 1.443 -17.804 1.00 0.00 H new ATOM 0 HA TYR B 17 8.821 0.391 -20.545 1.00 0.00 H new ATOM 0 HB2 TYR B 17 7.807 3.039 -19.410 1.00 0.00 H new ATOM 0 HB3 TYR B 17 8.245 2.874 -21.099 1.00 0.00 H new ATOM 0 HD1 TYR B 17 6.198 1.306 -18.419 1.00 0.00 H new ATOM 0 HD2 TYR B 17 6.737 1.848 -22.637 1.00 0.00 H new ATOM 0 HE1 TYR B 17 4.070 0.126 -18.835 1.00 0.00 H new ATOM 0 HE2 TYR B 17 4.589 0.686 -23.063 1.00 0.00 H new ATOM 0 HH TYR B 17 2.768 -0.876 -20.433 1.00 0.00 H new ATOM 1760 N SER B 18 10.945 2.146 -18.897 1.00 0.00 N ATOM 1761 CA SER B 18 12.323 2.689 -19.004 1.00 0.00 C ATOM 1762 C SER B 18 13.187 1.637 -19.692 1.00 0.00 C ATOM 1763 O SER B 18 14.012 1.940 -20.531 1.00 0.00 O ATOM 1764 CB SER B 18 12.874 2.975 -17.606 1.00 0.00 C ATOM 1765 OG SER B 18 13.351 1.764 -17.034 1.00 0.00 O ATOM 0 H SER B 18 10.560 2.099 -17.954 1.00 0.00 H new ATOM 0 HA SER B 18 12.324 3.617 -19.576 1.00 0.00 H new ATOM 0 HB2 SER B 18 13.680 3.707 -17.663 1.00 0.00 H new ATOM 0 HB3 SER B 18 12.096 3.406 -16.977 1.00 0.00 H new ATOM 0 HG SER B 18 12.595 1.167 -16.853 1.00 0.00 H new ATOM 1771 N GLY B 19 12.982 0.394 -19.352 1.00 0.00 N ATOM 1772 CA GLY B 19 13.765 -0.704 -19.991 1.00 0.00 C ATOM 1773 C GLY B 19 13.104 -1.120 -21.312 1.00 0.00 C ATOM 1774 O GLY B 19 13.030 -2.292 -21.627 1.00 0.00 O ATOM 0 H GLY B 19 12.302 0.089 -18.655 1.00 0.00 H new ATOM 0 HA2 GLY B 19 14.787 -0.373 -20.175 1.00 0.00 H new ATOM 0 HA3 GLY B 19 13.823 -1.560 -19.318 1.00 0.00 H new ATOM 1778 N ARG B 20 12.605 -0.189 -22.083 1.00 0.00 N ATOM 1779 CA ARG B 20 11.939 -0.579 -23.364 1.00 0.00 C ATOM 1780 C ARG B 20 12.996 -1.002 -24.396 1.00 0.00 C ATOM 1781 O ARG B 20 13.040 -2.140 -24.815 1.00 0.00 O ATOM 1782 CB ARG B 20 11.119 0.628 -23.900 1.00 0.00 C ATOM 1783 CG ARG B 20 9.611 0.328 -23.848 1.00 0.00 C ATOM 1784 CD ARG B 20 9.242 -0.606 -25.005 1.00 0.00 C ATOM 1785 NE ARG B 20 9.127 0.181 -26.262 1.00 0.00 N ATOM 1786 CZ ARG B 20 9.182 -0.422 -27.418 1.00 0.00 C ATOM 1787 NH1 ARG B 20 9.346 -1.716 -27.474 1.00 0.00 N ATOM 1788 NH2 ARG B 20 9.076 0.272 -28.518 1.00 0.00 N ATOM 0 H ARG B 20 12.628 0.812 -21.886 1.00 0.00 H new ATOM 0 HA ARG B 20 11.270 -1.421 -23.187 1.00 0.00 H new ATOM 0 HB2 ARG B 20 11.339 1.515 -23.306 1.00 0.00 H new ATOM 0 HB3 ARG B 20 11.416 0.849 -24.925 1.00 0.00 H new ATOM 0 HG2 ARG B 20 9.353 -0.134 -22.895 1.00 0.00 H new ATOM 0 HG3 ARG B 20 9.041 1.255 -23.917 1.00 0.00 H new ATOM 0 HD2 ARG B 20 10.001 -1.381 -25.117 1.00 0.00 H new ATOM 0 HD3 ARG B 20 8.300 -1.111 -24.792 1.00 0.00 H new ATOM 0 HE ARG B 20 9.005 1.193 -26.220 1.00 0.00 H new ATOM 0 HH11 ARG B 20 9.431 -2.257 -26.613 1.00 0.00 H new ATOM 0 HH12 ARG B 20 9.389 -2.186 -28.378 1.00 0.00 H new ATOM 0 HH21 ARG B 20 8.951 1.283 -28.473 1.00 0.00 H new ATOM 0 HH22 ARG B 20 9.119 -0.197 -29.423 1.00 0.00 H new ATOM 1802 N GLU B 21 13.842 -0.090 -24.805 1.00 0.00 N ATOM 1803 CA GLU B 21 14.903 -0.422 -25.813 1.00 0.00 C ATOM 1804 C GLU B 21 16.281 -0.299 -25.165 1.00 0.00 C ATOM 1805 O GLU B 21 17.253 -0.850 -25.643 1.00 0.00 O ATOM 1806 CB GLU B 21 14.811 0.554 -26.989 1.00 0.00 C ATOM 1807 CG GLU B 21 13.503 0.318 -27.748 1.00 0.00 C ATOM 1808 CD GLU B 21 13.410 1.293 -28.923 1.00 0.00 C ATOM 1809 OE1 GLU B 21 14.337 2.065 -29.102 1.00 0.00 O ATOM 1810 OE2 GLU B 21 12.415 1.247 -29.627 1.00 0.00 O ATOM 0 H GLU B 21 13.845 0.878 -24.483 1.00 0.00 H new ATOM 0 HA GLU B 21 14.757 -1.442 -26.169 1.00 0.00 H new ATOM 0 HB2 GLU B 21 14.853 1.581 -26.627 1.00 0.00 H new ATOM 0 HB3 GLU B 21 15.661 0.416 -27.657 1.00 0.00 H new ATOM 0 HG2 GLU B 21 13.461 -0.709 -28.110 1.00 0.00 H new ATOM 0 HG3 GLU B 21 12.653 0.455 -27.080 1.00 0.00 H new ATOM 1817 N GLY B 22 16.377 0.420 -24.078 1.00 0.00 N ATOM 1818 CA GLY B 22 17.696 0.579 -23.398 1.00 0.00 C ATOM 1819 C GLY B 22 17.794 1.975 -22.782 1.00 0.00 C ATOM 1820 O GLY B 22 18.652 2.236 -21.962 1.00 0.00 O ATOM 0 H GLY B 22 15.598 0.904 -23.631 1.00 0.00 H new ATOM 0 HA2 GLY B 22 17.810 -0.179 -22.624 1.00 0.00 H new ATOM 0 HA3 GLY B 22 18.505 0.429 -24.113 1.00 0.00 H new ATOM 1824 N ASP B 23 16.925 2.879 -23.156 1.00 0.00 N ATOM 1825 CA ASP B 23 16.994 4.242 -22.569 1.00 0.00 C ATOM 1826 C ASP B 23 16.427 4.189 -21.148 1.00 0.00 C ATOM 1827 O ASP B 23 15.475 4.861 -20.814 1.00 0.00 O ATOM 1828 CB ASP B 23 16.182 5.207 -23.435 1.00 0.00 C ATOM 1829 CG ASP B 23 16.440 4.901 -24.912 1.00 0.00 C ATOM 1830 OD1 ASP B 23 17.564 4.553 -25.236 1.00 0.00 O ATOM 1831 OD2 ASP B 23 15.512 5.020 -25.694 1.00 0.00 O ATOM 0 H ASP B 23 16.179 2.731 -23.836 1.00 0.00 H new ATOM 0 HA ASP B 23 18.026 4.592 -22.533 1.00 0.00 H new ATOM 0 HB2 ASP B 23 15.120 5.108 -23.212 1.00 0.00 H new ATOM 0 HB3 ASP B 23 16.460 6.237 -23.211 1.00 0.00 H new ATOM 1836 N LYS B 24 17.010 3.374 -20.315 1.00 0.00 N ATOM 1837 CA LYS B 24 16.526 3.246 -18.913 1.00 0.00 C ATOM 1838 C LYS B 24 16.621 4.599 -18.198 1.00 0.00 C ATOM 1839 O LYS B 24 15.763 4.965 -17.421 1.00 0.00 O ATOM 1840 CB LYS B 24 17.404 2.227 -18.179 1.00 0.00 C ATOM 1841 CG LYS B 24 16.896 2.039 -16.748 1.00 0.00 C ATOM 1842 CD LYS B 24 17.618 0.852 -16.097 1.00 0.00 C ATOM 1843 CE LYS B 24 19.104 1.183 -15.903 1.00 0.00 C ATOM 1844 NZ LYS B 24 19.695 0.255 -14.896 1.00 0.00 N ATOM 0 H LYS B 24 17.809 2.785 -20.548 1.00 0.00 H new ATOM 0 HA LYS B 24 15.487 2.918 -18.917 1.00 0.00 H new ATOM 0 HB2 LYS B 24 17.390 1.274 -18.708 1.00 0.00 H new ATOM 0 HB3 LYS B 24 18.439 2.569 -18.165 1.00 0.00 H new ATOM 0 HG2 LYS B 24 17.069 2.945 -16.168 1.00 0.00 H new ATOM 0 HG3 LYS B 24 15.820 1.865 -16.753 1.00 0.00 H new ATOM 0 HD2 LYS B 24 17.160 0.620 -15.135 1.00 0.00 H new ATOM 0 HD3 LYS B 24 17.513 -0.035 -16.722 1.00 0.00 H new ATOM 0 HE2 LYS B 24 19.634 1.093 -16.851 1.00 0.00 H new ATOM 0 HE3 LYS B 24 19.217 2.215 -15.572 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 20.702 0.480 -14.765 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 19.196 0.362 -13.990 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 19.600 -0.725 -15.230 1.00 0.00 H new ATOM 1858 N HIS B 25 17.678 5.326 -18.437 1.00 0.00 N ATOM 1859 CA HIS B 25 17.864 6.641 -17.756 1.00 0.00 C ATOM 1860 C HIS B 25 17.031 7.742 -18.430 1.00 0.00 C ATOM 1861 O HIS B 25 16.758 8.761 -17.829 1.00 0.00 O ATOM 1862 CB HIS B 25 19.349 7.010 -17.807 1.00 0.00 C ATOM 1863 CG HIS B 25 19.598 8.281 -17.038 1.00 0.00 C ATOM 1864 ND1 HIS B 25 19.361 8.384 -15.673 1.00 0.00 N ATOM 1865 CD2 HIS B 25 20.086 9.504 -17.428 1.00 0.00 C ATOM 1866 CE1 HIS B 25 19.706 9.631 -15.296 1.00 0.00 C ATOM 1867 NE2 HIS B 25 20.152 10.349 -16.327 1.00 0.00 N ATOM 0 H HIS B 25 18.426 5.065 -19.079 1.00 0.00 H new ATOM 0 HA HIS B 25 17.527 6.556 -16.723 1.00 0.00 H new ATOM 0 HB2 HIS B 25 19.947 6.200 -17.388 1.00 0.00 H new ATOM 0 HB3 HIS B 25 19.664 7.136 -18.843 1.00 0.00 H new ATOM 0 HD2 HIS B 25 20.374 9.768 -18.435 1.00 0.00 H new ATOM 0 HE1 HIS B 25 19.631 10.002 -14.285 1.00 0.00 H new ATOM 0 HE2 HIS B 25 20.474 11.317 -16.311 1.00 0.00 H new ATOM 1876 N LYS B 26 16.630 7.563 -19.669 1.00 0.00 N ATOM 1877 CA LYS B 26 15.823 8.630 -20.356 1.00 0.00 C ATOM 1878 C LYS B 26 14.720 8.003 -21.220 1.00 0.00 C ATOM 1879 O LYS B 26 14.851 6.908 -21.719 1.00 0.00 O ATOM 1880 CB LYS B 26 16.741 9.468 -21.251 1.00 0.00 C ATOM 1881 CG LYS B 26 17.779 10.192 -20.388 1.00 0.00 C ATOM 1882 CD LYS B 26 18.593 11.177 -21.243 1.00 0.00 C ATOM 1883 CE LYS B 26 19.540 10.428 -22.191 1.00 0.00 C ATOM 1884 NZ LYS B 26 20.303 9.394 -21.436 1.00 0.00 N ATOM 0 H LYS B 26 16.823 6.734 -20.231 1.00 0.00 H new ATOM 0 HA LYS B 26 15.363 9.260 -19.595 1.00 0.00 H new ATOM 0 HB2 LYS B 26 17.241 8.827 -21.978 1.00 0.00 H new ATOM 0 HB3 LYS B 26 16.153 10.192 -21.815 1.00 0.00 H new ATOM 0 HG2 LYS B 26 17.280 10.728 -19.580 1.00 0.00 H new ATOM 0 HG3 LYS B 26 18.446 9.466 -19.924 1.00 0.00 H new ATOM 0 HD2 LYS B 26 17.917 11.807 -21.821 1.00 0.00 H new ATOM 0 HD3 LYS B 26 19.169 11.838 -20.595 1.00 0.00 H new ATOM 0 HE2 LYS B 26 18.969 9.958 -22.992 1.00 0.00 H new ATOM 0 HE3 LYS B 26 20.229 11.130 -22.660 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 21.181 9.168 -21.946 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 20.536 9.757 -20.490 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 19.725 8.534 -21.344 1.00 0.00 H new ATOM 1898 N LEU B 27 13.633 8.711 -21.406 1.00 0.00 N ATOM 1899 CA LEU B 27 12.502 8.194 -22.249 1.00 0.00 C ATOM 1900 C LEU B 27 12.488 8.958 -23.578 1.00 0.00 C ATOM 1901 O LEU B 27 12.601 10.167 -23.607 1.00 0.00 O ATOM 1902 CB LEU B 27 11.156 8.425 -21.523 1.00 0.00 C ATOM 1903 CG LEU B 27 10.810 7.244 -20.602 1.00 0.00 C ATOM 1904 CD1 LEU B 27 10.559 5.961 -21.424 1.00 0.00 C ATOM 1905 CD2 LEU B 27 11.952 7.022 -19.608 1.00 0.00 C ATOM 0 H LEU B 27 13.477 9.636 -21.006 1.00 0.00 H new ATOM 0 HA LEU B 27 12.638 7.127 -22.425 1.00 0.00 H new ATOM 0 HB2 LEU B 27 11.209 9.343 -20.937 1.00 0.00 H new ATOM 0 HB3 LEU B 27 10.362 8.561 -22.258 1.00 0.00 H new ATOM 0 HG LEU B 27 9.896 7.479 -20.057 1.00 0.00 H new ATOM 0 HD11 LEU B 27 10.316 5.139 -20.751 1.00 0.00 H new ATOM 0 HD12 LEU B 27 9.728 6.125 -22.110 1.00 0.00 H new ATOM 0 HD13 LEU B 27 11.455 5.712 -21.992 1.00 0.00 H new ATOM 0 HD21 LEU B 27 11.708 6.185 -18.954 1.00 0.00 H new ATOM 0 HD22 LEU B 27 12.870 6.802 -20.152 1.00 0.00 H new ATOM 0 HD23 LEU B 27 12.093 7.921 -19.008 1.00 0.00 H new ATOM 1917 N LYS B 28 12.340 8.263 -24.676 1.00 0.00 N ATOM 1918 CA LYS B 28 12.304 8.938 -26.007 1.00 0.00 C ATOM 1919 C LYS B 28 10.849 9.042 -26.469 1.00 0.00 C ATOM 1920 O LYS B 28 10.044 8.177 -26.185 1.00 0.00 O ATOM 1921 CB LYS B 28 13.110 8.091 -27.000 1.00 0.00 C ATOM 1922 CG LYS B 28 13.097 8.730 -28.392 1.00 0.00 C ATOM 1923 CD LYS B 28 13.909 7.859 -29.351 1.00 0.00 C ATOM 1924 CE LYS B 28 13.903 8.486 -30.745 1.00 0.00 C ATOM 1925 NZ LYS B 28 14.762 9.703 -30.746 1.00 0.00 N ATOM 0 H LYS B 28 12.242 7.248 -24.707 1.00 0.00 H new ATOM 0 HA LYS B 28 12.733 9.938 -25.945 1.00 0.00 H new ATOM 0 HB2 LYS B 28 14.137 7.991 -26.650 1.00 0.00 H new ATOM 0 HB3 LYS B 28 12.691 7.086 -27.052 1.00 0.00 H new ATOM 0 HG2 LYS B 28 12.072 8.829 -28.750 1.00 0.00 H new ATOM 0 HG3 LYS B 28 13.518 9.734 -28.348 1.00 0.00 H new ATOM 0 HD2 LYS B 28 14.933 7.761 -28.990 1.00 0.00 H new ATOM 0 HD3 LYS B 28 13.487 6.855 -29.391 1.00 0.00 H new ATOM 0 HE2 LYS B 28 14.269 7.769 -31.480 1.00 0.00 H new ATOM 0 HE3 LYS B 28 12.885 8.746 -31.034 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 14.952 9.993 -31.727 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 14.274 10.473 -30.245 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 15.661 9.494 -30.267 1.00 0.00 H new ATOM 1939 N LYS B 29 10.500 10.100 -27.168 1.00 0.00 N ATOM 1940 CA LYS B 29 9.092 10.268 -27.641 1.00 0.00 C ATOM 1941 C LYS B 29 8.569 8.929 -28.155 1.00 0.00 C ATOM 1942 O LYS B 29 7.381 8.674 -28.183 1.00 0.00 O ATOM 1943 CB LYS B 29 9.043 11.304 -28.774 1.00 0.00 C ATOM 1944 CG LYS B 29 9.680 10.751 -30.055 1.00 0.00 C ATOM 1945 CD LYS B 29 9.832 11.895 -31.064 1.00 0.00 C ATOM 1946 CE LYS B 29 10.262 11.341 -32.425 1.00 0.00 C ATOM 1947 NZ LYS B 29 9.283 10.318 -32.889 1.00 0.00 N ATOM 0 H LYS B 29 11.134 10.854 -27.430 1.00 0.00 H new ATOM 0 HA LYS B 29 8.472 10.612 -26.813 1.00 0.00 H new ATOM 0 HB2 LYS B 29 8.008 11.584 -28.970 1.00 0.00 H new ATOM 0 HB3 LYS B 29 9.565 12.210 -28.466 1.00 0.00 H new ATOM 0 HG2 LYS B 29 10.652 10.311 -29.834 1.00 0.00 H new ATOM 0 HG3 LYS B 29 9.060 9.958 -30.473 1.00 0.00 H new ATOM 0 HD2 LYS B 29 8.888 12.431 -31.163 1.00 0.00 H new ATOM 0 HD3 LYS B 29 10.570 12.612 -30.705 1.00 0.00 H new ATOM 0 HE2 LYS B 29 10.328 12.150 -33.152 1.00 0.00 H new ATOM 0 HE3 LYS B 29 11.255 10.899 -32.350 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 9.288 10.279 -33.928 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 9.545 9.387 -32.506 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 8.331 10.573 -32.557 1.00 0.00 H new ATOM 1961 N SER B 30 9.462 8.071 -28.547 1.00 0.00 N ATOM 1962 CA SER B 30 9.039 6.732 -29.049 1.00 0.00 C ATOM 1963 C SER B 30 8.674 5.858 -27.853 1.00 0.00 C ATOM 1964 O SER B 30 7.584 5.331 -27.763 1.00 0.00 O ATOM 1965 CB SER B 30 10.184 6.080 -29.826 1.00 0.00 C ATOM 1966 OG SER B 30 10.456 6.844 -30.993 1.00 0.00 O ATOM 0 H SER B 30 10.469 8.235 -28.543 1.00 0.00 H new ATOM 0 HA SER B 30 8.181 6.842 -29.712 1.00 0.00 H new ATOM 0 HB2 SER B 30 11.075 6.020 -29.201 1.00 0.00 H new ATOM 0 HB3 SER B 30 9.918 5.059 -30.100 1.00 0.00 H new ATOM 0 HG SER B 30 11.191 6.429 -31.492 1.00 0.00 H new ATOM 1972 N GLU B 31 9.576 5.722 -26.922 1.00 0.00 N ATOM 1973 CA GLU B 31 9.290 4.906 -25.717 1.00 0.00 C ATOM 1974 C GLU B 31 8.103 5.527 -24.986 1.00 0.00 C ATOM 1975 O GLU B 31 7.275 4.842 -24.423 1.00 0.00 O ATOM 1976 CB GLU B 31 10.521 4.889 -24.811 1.00 0.00 C ATOM 1977 CG GLU B 31 11.632 4.088 -25.493 1.00 0.00 C ATOM 1978 CD GLU B 31 12.874 4.065 -24.602 1.00 0.00 C ATOM 1979 OE1 GLU B 31 12.830 4.668 -23.542 1.00 0.00 O ATOM 1980 OE2 GLU B 31 13.850 3.449 -24.996 1.00 0.00 O ATOM 0 H GLU B 31 10.504 6.145 -26.947 1.00 0.00 H new ATOM 0 HA GLU B 31 9.051 3.880 -25.998 1.00 0.00 H new ATOM 0 HB2 GLU B 31 10.857 5.907 -24.614 1.00 0.00 H new ATOM 0 HB3 GLU B 31 10.273 4.444 -23.848 1.00 0.00 H new ATOM 0 HG2 GLU B 31 11.293 3.070 -25.687 1.00 0.00 H new ATOM 0 HG3 GLU B 31 11.874 4.533 -26.458 1.00 0.00 H new ATOM 1987 N LEU B 32 8.024 6.830 -24.994 1.00 0.00 N ATOM 1988 CA LEU B 32 6.902 7.525 -24.307 1.00 0.00 C ATOM 1989 C LEU B 32 5.568 7.089 -24.911 1.00 0.00 C ATOM 1990 O LEU B 32 4.610 6.880 -24.208 1.00 0.00 O ATOM 1991 CB LEU B 32 7.074 9.037 -24.477 1.00 0.00 C ATOM 1992 CG LEU B 32 5.908 9.793 -23.824 1.00 0.00 C ATOM 1993 CD1 LEU B 32 5.808 9.431 -22.335 1.00 0.00 C ATOM 1994 CD2 LEU B 32 6.154 11.298 -23.977 1.00 0.00 C ATOM 0 H LEU B 32 8.695 7.447 -25.452 1.00 0.00 H new ATOM 0 HA LEU B 32 6.909 7.268 -23.248 1.00 0.00 H new ATOM 0 HB2 LEU B 32 8.016 9.354 -24.029 1.00 0.00 H new ATOM 0 HB3 LEU B 32 7.127 9.285 -25.537 1.00 0.00 H new ATOM 0 HG LEU B 32 4.973 9.515 -24.310 1.00 0.00 H new ATOM 0 HD11 LEU B 32 4.977 9.974 -21.884 1.00 0.00 H new ATOM 0 HD12 LEU B 32 5.640 8.359 -22.232 1.00 0.00 H new ATOM 0 HD13 LEU B 32 6.736 9.703 -21.831 1.00 0.00 H new ATOM 0 HD21 LEU B 32 5.334 11.849 -23.518 1.00 0.00 H new ATOM 0 HD22 LEU B 32 7.090 11.565 -23.487 1.00 0.00 H new ATOM 0 HD23 LEU B 32 6.214 11.551 -25.036 1.00 0.00 H new ATOM 2006 N LYS B 33 5.491 6.963 -26.207 1.00 0.00 N ATOM 2007 CA LYS B 33 4.198 6.546 -26.836 1.00 0.00 C ATOM 2008 C LYS B 33 3.781 5.173 -26.310 1.00 0.00 C ATOM 2009 O LYS B 33 2.619 4.925 -26.056 1.00 0.00 O ATOM 2010 CB LYS B 33 4.367 6.476 -28.357 1.00 0.00 C ATOM 2011 CG LYS B 33 3.040 6.077 -29.016 1.00 0.00 C ATOM 2012 CD LYS B 33 3.230 6.014 -30.530 1.00 0.00 C ATOM 2013 CE LYS B 33 1.912 5.620 -31.202 1.00 0.00 C ATOM 2014 NZ LYS B 33 1.589 4.202 -30.875 1.00 0.00 N ATOM 0 H LYS B 33 6.259 7.129 -26.857 1.00 0.00 H new ATOM 0 HA LYS B 33 3.429 7.276 -26.585 1.00 0.00 H new ATOM 0 HB2 LYS B 33 4.696 7.442 -28.739 1.00 0.00 H new ATOM 0 HB3 LYS B 33 5.141 5.752 -28.612 1.00 0.00 H new ATOM 0 HG2 LYS B 33 2.709 5.109 -28.638 1.00 0.00 H new ATOM 0 HG3 LYS B 33 2.264 6.800 -28.765 1.00 0.00 H new ATOM 0 HD2 LYS B 33 3.565 6.981 -30.904 1.00 0.00 H new ATOM 0 HD3 LYS B 33 4.006 5.290 -30.779 1.00 0.00 H new ATOM 0 HE2 LYS B 33 1.109 6.274 -30.862 1.00 0.00 H new ATOM 0 HE3 LYS B 33 1.991 5.746 -32.282 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 0.899 3.836 -31.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 2.456 3.630 -30.917 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 1.186 4.150 -29.918 1.00 0.00 H new ATOM 2028 N GLU B 34 4.711 4.278 -26.148 1.00 0.00 N ATOM 2029 CA GLU B 34 4.350 2.928 -25.644 1.00 0.00 C ATOM 2030 C GLU B 34 3.845 3.051 -24.204 1.00 0.00 C ATOM 2031 O GLU B 34 2.936 2.372 -23.792 1.00 0.00 O ATOM 2032 CB GLU B 34 5.571 2.000 -25.721 1.00 0.00 C ATOM 2033 CG GLU B 34 5.857 1.624 -27.183 1.00 0.00 C ATOM 2034 CD GLU B 34 6.541 2.786 -27.902 1.00 0.00 C ATOM 2035 OE1 GLU B 34 7.719 2.986 -27.670 1.00 0.00 O ATOM 2036 OE2 GLU B 34 5.878 3.445 -28.686 1.00 0.00 O ATOM 0 H GLU B 34 5.702 4.422 -26.342 1.00 0.00 H new ATOM 0 HA GLU B 34 3.559 2.499 -26.259 1.00 0.00 H new ATOM 0 HB2 GLU B 34 6.441 2.494 -25.288 1.00 0.00 H new ATOM 0 HB3 GLU B 34 5.391 1.099 -25.134 1.00 0.00 H new ATOM 0 HG2 GLU B 34 6.492 0.739 -27.221 1.00 0.00 H new ATOM 0 HG3 GLU B 34 4.926 1.370 -27.690 1.00 0.00 H new ATOM 2043 N LEU B 35 4.418 3.923 -23.437 1.00 0.00 N ATOM 2044 CA LEU B 35 3.948 4.102 -22.036 1.00 0.00 C ATOM 2045 C LEU B 35 2.484 4.541 -22.065 1.00 0.00 C ATOM 2046 O LEU B 35 1.650 4.040 -21.337 1.00 0.00 O ATOM 2047 CB LEU B 35 4.820 5.177 -21.359 1.00 0.00 C ATOM 2048 CG LEU B 35 4.309 5.534 -19.942 1.00 0.00 C ATOM 2049 CD1 LEU B 35 3.041 6.421 -19.998 1.00 0.00 C ATOM 2050 CD2 LEU B 35 4.017 4.252 -19.155 1.00 0.00 C ATOM 0 H LEU B 35 5.194 4.524 -23.716 1.00 0.00 H new ATOM 0 HA LEU B 35 4.030 3.171 -21.475 1.00 0.00 H new ATOM 0 HB2 LEU B 35 5.848 4.821 -21.294 1.00 0.00 H new ATOM 0 HB3 LEU B 35 4.832 6.075 -21.977 1.00 0.00 H new ATOM 0 HG LEU B 35 5.091 6.103 -19.438 1.00 0.00 H new ATOM 0 HD11 LEU B 35 2.712 6.650 -18.984 1.00 0.00 H new ATOM 0 HD12 LEU B 35 3.268 7.348 -20.524 1.00 0.00 H new ATOM 0 HD13 LEU B 35 2.248 5.890 -20.525 1.00 0.00 H new ATOM 0 HD21 LEU B 35 3.658 4.510 -18.159 1.00 0.00 H new ATOM 0 HD22 LEU B 35 3.256 3.671 -19.676 1.00 0.00 H new ATOM 0 HD23 LEU B 35 4.929 3.662 -19.070 1.00 0.00 H new ATOM 2062 N ILE B 36 2.184 5.500 -22.892 1.00 0.00 N ATOM 2063 CA ILE B 36 0.799 6.031 -22.985 1.00 0.00 C ATOM 2064 C ILE B 36 -0.147 5.046 -23.669 1.00 0.00 C ATOM 2065 O ILE B 36 -1.230 4.777 -23.189 1.00 0.00 O ATOM 2066 CB ILE B 36 0.822 7.317 -23.820 1.00 0.00 C ATOM 2067 CG1 ILE B 36 1.729 8.359 -23.157 1.00 0.00 C ATOM 2068 CG2 ILE B 36 -0.595 7.874 -23.953 1.00 0.00 C ATOM 2069 CD1 ILE B 36 1.920 9.549 -24.100 1.00 0.00 C ATOM 0 H ILE B 36 2.853 5.946 -23.519 1.00 0.00 H new ATOM 0 HA ILE B 36 0.442 6.209 -21.971 1.00 0.00 H new ATOM 0 HB ILE B 36 1.212 7.088 -24.812 1.00 0.00 H new ATOM 0 HG12 ILE B 36 1.289 8.694 -22.218 1.00 0.00 H new ATOM 0 HG13 ILE B 36 2.695 7.915 -22.916 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -0.573 8.788 -24.547 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -1.231 7.137 -24.444 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -0.994 8.095 -22.963 1.00 0.00 H new ATOM 0 HD11 ILE B 36 2.565 10.289 -23.626 1.00 0.00 H new ATOM 0 HD12 ILE B 36 2.379 9.208 -25.028 1.00 0.00 H new ATOM 0 HD13 ILE B 36 0.952 9.999 -24.318 1.00 0.00 H new ATOM 2081 N ASN B 37 0.217 4.563 -24.820 1.00 0.00 N ATOM 2082 CA ASN B 37 -0.716 3.663 -25.565 1.00 0.00 C ATOM 2083 C ASN B 37 -0.812 2.272 -24.936 1.00 0.00 C ATOM 2084 O ASN B 37 -1.883 1.724 -24.765 1.00 0.00 O ATOM 2085 CB ASN B 37 -0.209 3.512 -27.000 1.00 0.00 C ATOM 2086 CG ASN B 37 -0.391 4.829 -27.750 1.00 0.00 C ATOM 2087 OD1 ASN B 37 0.315 5.053 -28.823 1.00 0.00 O flip ATOM 2088 ND2 ASN B 37 -1.177 5.664 -27.353 1.00 0.00 N flip ATOM 0 H ASN B 37 1.110 4.747 -25.278 1.00 0.00 H new ATOM 0 HA ASN B 37 -1.708 4.114 -25.533 1.00 0.00 H new ATOM 0 HB2 ASN B 37 0.843 3.227 -26.996 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -0.754 2.715 -27.507 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -1.728 5.487 -26.513 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -1.286 6.543 -27.859 1.00 0.00 H new ATOM 2095 N ASN B 38 0.301 1.683 -24.660 1.00 0.00 N ATOM 2096 CA ASN B 38 0.309 0.288 -24.111 1.00 0.00 C ATOM 2097 C ASN B 38 -0.087 0.221 -22.628 1.00 0.00 C ATOM 2098 O ASN B 38 -0.837 -0.649 -22.232 1.00 0.00 O ATOM 2099 CB ASN B 38 1.705 -0.316 -24.279 1.00 0.00 C ATOM 2100 CG ASN B 38 1.654 -1.827 -24.026 1.00 0.00 C ATOM 2101 OD1 ASN B 38 0.500 -2.423 -23.891 1.00 0.00 O flip ATOM 2102 ND2 ASN B 38 2.680 -2.472 -23.941 1.00 0.00 N flip ATOM 0 H ASN B 38 1.223 2.100 -24.787 1.00 0.00 H new ATOM 0 HA ASN B 38 -0.436 -0.277 -24.672 1.00 0.00 H new ATOM 0 HB2 ASN B 38 2.077 -0.119 -25.284 1.00 0.00 H new ATOM 0 HB3 ASN B 38 2.400 0.155 -23.584 1.00 0.00 H new ATOM 0 HD21 ASN B 38 3.583 -2.010 -24.046 1.00 0.00 H new ATOM 0 HD22 ASN B 38 2.638 -3.476 -23.765 1.00 0.00 H new ATOM 2109 N GLU B 39 0.428 1.082 -21.788 1.00 0.00 N ATOM 2110 CA GLU B 39 0.078 0.978 -20.334 1.00 0.00 C ATOM 2111 C GLU B 39 -1.253 1.669 -20.040 1.00 0.00 C ATOM 2112 O GLU B 39 -1.829 1.477 -18.988 1.00 0.00 O ATOM 2113 CB GLU B 39 1.182 1.631 -19.479 1.00 0.00 C ATOM 2114 CG GLU B 39 1.103 1.110 -18.036 1.00 0.00 C ATOM 2115 CD GLU B 39 1.725 -0.289 -17.953 1.00 0.00 C ATOM 2116 OE1 GLU B 39 1.845 -0.928 -18.984 1.00 0.00 O ATOM 2117 OE2 GLU B 39 2.084 -0.695 -16.862 1.00 0.00 O ATOM 0 H GLU B 39 1.064 1.840 -22.036 1.00 0.00 H new ATOM 0 HA GLU B 39 -0.010 -0.079 -20.085 1.00 0.00 H new ATOM 0 HB2 GLU B 39 2.161 1.408 -19.902 1.00 0.00 H new ATOM 0 HB3 GLU B 39 1.069 2.715 -19.490 1.00 0.00 H new ATOM 0 HG2 GLU B 39 1.626 1.791 -17.365 1.00 0.00 H new ATOM 0 HG3 GLU B 39 0.064 1.076 -17.709 1.00 0.00 H new ATOM 2124 N LEU B 40 -1.747 2.477 -20.938 1.00 0.00 N ATOM 2125 CA LEU B 40 -3.038 3.184 -20.668 1.00 0.00 C ATOM 2126 C LEU B 40 -3.906 3.192 -21.929 1.00 0.00 C ATOM 2127 O LEU B 40 -4.418 4.217 -22.330 1.00 0.00 O ATOM 2128 CB LEU B 40 -2.749 4.633 -20.227 1.00 0.00 C ATOM 2129 CG LEU B 40 -1.475 4.712 -19.361 1.00 0.00 C ATOM 2130 CD1 LEU B 40 -1.114 6.188 -19.150 1.00 0.00 C ATOM 2131 CD2 LEU B 40 -1.685 4.015 -17.989 1.00 0.00 C ATOM 0 H LEU B 40 -1.319 2.679 -21.841 1.00 0.00 H new ATOM 0 HA LEU B 40 -3.572 2.662 -19.874 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -2.633 5.267 -21.106 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -3.598 5.020 -19.664 1.00 0.00 H new ATOM 0 HG LEU B 40 -0.664 4.196 -19.874 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.214 6.259 -18.539 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -0.935 6.660 -20.116 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -1.936 6.695 -18.645 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -0.770 4.087 -17.401 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -2.500 4.503 -17.454 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -1.933 2.965 -18.148 1.00 0.00 H new ATOM 2143 N SER B 41 -4.083 2.062 -22.553 1.00 0.00 N ATOM 2144 CA SER B 41 -4.929 2.025 -23.777 1.00 0.00 C ATOM 2145 C SER B 41 -6.365 2.419 -23.416 1.00 0.00 C ATOM 2146 O SER B 41 -6.997 3.195 -24.105 1.00 0.00 O ATOM 2147 CB SER B 41 -4.927 0.610 -24.356 1.00 0.00 C ATOM 2148 OG SER B 41 -5.535 -0.278 -23.426 1.00 0.00 O ATOM 0 H SER B 41 -3.681 1.168 -22.271 1.00 0.00 H new ATOM 0 HA SER B 41 -4.531 2.723 -24.514 1.00 0.00 H new ATOM 0 HB2 SER B 41 -5.468 0.591 -25.302 1.00 0.00 H new ATOM 0 HB3 SER B 41 -3.906 0.292 -24.566 1.00 0.00 H new ATOM 0 HG SER B 41 -5.537 -1.186 -23.794 1.00 0.00 H new ATOM 2154 N HIS B 42 -6.885 1.882 -22.340 1.00 0.00 N ATOM 2155 CA HIS B 42 -8.286 2.210 -21.924 1.00 0.00 C ATOM 2156 C HIS B 42 -8.273 3.273 -20.824 1.00 0.00 C ATOM 2157 O HIS B 42 -9.105 4.158 -20.793 1.00 0.00 O ATOM 2158 CB HIS B 42 -8.957 0.940 -21.396 1.00 0.00 C ATOM 2159 CG HIS B 42 -10.375 1.238 -20.995 1.00 0.00 C ATOM 2160 ND1 HIS B 42 -11.358 1.548 -21.925 1.00 0.00 N ATOM 2161 CD2 HIS B 42 -10.997 1.261 -19.770 1.00 0.00 C ATOM 2162 CE1 HIS B 42 -12.507 1.741 -21.251 1.00 0.00 C ATOM 2163 NE2 HIS B 42 -12.340 1.577 -19.938 1.00 0.00 N ATOM 0 H HIS B 42 -6.398 1.227 -21.728 1.00 0.00 H new ATOM 0 HA HIS B 42 -8.837 2.596 -22.782 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -8.942 0.165 -22.162 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -8.402 0.554 -20.541 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -10.517 1.064 -18.823 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -13.448 1.997 -21.716 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -13.049 1.665 -19.210 1.00 0.00 H new ATOM 2172 N PHE B 43 -7.337 3.193 -19.922 1.00 0.00 N ATOM 2173 CA PHE B 43 -7.271 4.196 -18.824 1.00 0.00 C ATOM 2174 C PHE B 43 -7.090 5.595 -19.426 1.00 0.00 C ATOM 2175 O PHE B 43 -7.696 6.550 -18.986 1.00 0.00 O ATOM 2176 CB PHE B 43 -6.114 3.843 -17.877 1.00 0.00 C ATOM 2177 CG PHE B 43 -6.024 4.852 -16.746 1.00 0.00 C ATOM 2178 CD1 PHE B 43 -7.120 5.064 -15.892 1.00 0.00 C ATOM 2179 CD2 PHE B 43 -4.841 5.578 -16.550 1.00 0.00 C ATOM 2180 CE1 PHE B 43 -7.028 5.999 -14.853 1.00 0.00 C ATOM 2181 CE2 PHE B 43 -4.754 6.510 -15.513 1.00 0.00 C ATOM 2182 CZ PHE B 43 -5.847 6.724 -14.664 1.00 0.00 C ATOM 0 H PHE B 43 -6.613 2.475 -19.897 1.00 0.00 H new ATOM 0 HA PHE B 43 -8.197 4.186 -18.249 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -6.263 2.843 -17.469 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -5.176 3.825 -18.431 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -8.033 4.506 -16.037 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -3.995 5.417 -17.202 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -7.870 6.160 -14.197 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -3.841 7.067 -15.366 1.00 0.00 H new ATOM 0 HZ PHE B 43 -5.778 7.447 -13.865 1.00 0.00 H new ATOM 2192 N LEU B 44 -6.282 5.712 -20.451 1.00 0.00 N ATOM 2193 CA LEU B 44 -6.072 7.034 -21.126 1.00 0.00 C ATOM 2194 C LEU B 44 -6.371 6.803 -22.602 1.00 0.00 C ATOM 2195 O LEU B 44 -5.955 5.812 -23.168 1.00 0.00 O ATOM 2196 CB LEU B 44 -4.606 7.485 -20.932 1.00 0.00 C ATOM 2197 CG LEU B 44 -4.440 9.018 -21.045 1.00 0.00 C ATOM 2198 CD1 LEU B 44 -5.167 9.557 -22.277 1.00 0.00 C ATOM 2199 CD2 LEU B 44 -4.972 9.716 -19.782 1.00 0.00 C ATOM 0 H LEU B 44 -5.752 4.939 -20.855 1.00 0.00 H new ATOM 0 HA LEU B 44 -6.714 7.812 -20.714 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.254 7.155 -19.955 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -3.977 6.998 -21.678 1.00 0.00 H new ATOM 0 HG LEU B 44 -3.376 9.230 -21.146 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -5.035 10.637 -22.334 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -4.756 9.094 -23.174 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -6.229 9.325 -22.203 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.846 10.794 -19.882 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -6.030 9.484 -19.656 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -4.418 9.365 -18.911 1.00 0.00 H new ATOM 2211 N GLU B 45 -7.101 7.670 -23.238 1.00 0.00 N ATOM 2212 CA GLU B 45 -7.411 7.417 -24.666 1.00 0.00 C ATOM 2213 C GLU B 45 -6.110 7.139 -25.422 1.00 0.00 C ATOM 2214 O GLU B 45 -5.222 7.960 -25.504 1.00 0.00 O ATOM 2215 CB GLU B 45 -8.144 8.620 -25.271 1.00 0.00 C ATOM 2216 CG GLU B 45 -7.218 9.836 -25.337 1.00 0.00 C ATOM 2217 CD GLU B 45 -8.050 11.096 -25.582 1.00 0.00 C ATOM 2218 OE1 GLU B 45 -9.114 10.976 -26.167 1.00 0.00 O ATOM 2219 OE2 GLU B 45 -7.609 12.160 -25.180 1.00 0.00 O ATOM 0 H GLU B 45 -7.489 8.526 -22.841 1.00 0.00 H new ATOM 0 HA GLU B 45 -8.064 6.548 -24.749 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -8.499 8.371 -26.271 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -9.023 8.857 -24.671 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -6.658 9.932 -24.406 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -6.488 9.708 -26.136 1.00 0.00 H new ATOM 2226 N GLU B 46 -5.995 5.958 -25.951 1.00 0.00 N ATOM 2227 CA GLU B 46 -4.766 5.571 -26.696 1.00 0.00 C ATOM 2228 C GLU B 46 -4.432 6.629 -27.749 1.00 0.00 C ATOM 2229 O GLU B 46 -5.301 7.289 -28.279 1.00 0.00 O ATOM 2230 CB GLU B 46 -5.010 4.223 -27.384 1.00 0.00 C ATOM 2231 CG GLU B 46 -3.763 3.794 -28.163 1.00 0.00 C ATOM 2232 CD GLU B 46 -3.991 2.406 -28.766 1.00 0.00 C ATOM 2233 OE1 GLU B 46 -5.036 1.833 -28.507 1.00 0.00 O ATOM 2234 OE2 GLU B 46 -3.116 1.941 -29.478 1.00 0.00 O ATOM 0 H GLU B 46 -6.710 5.232 -25.899 1.00 0.00 H new ATOM 0 HA GLU B 46 -3.930 5.492 -26.001 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -5.261 3.467 -26.640 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -5.862 4.300 -28.060 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -3.548 4.514 -28.952 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -2.896 3.777 -27.502 1.00 0.00 H new ATOM 2241 N ILE B 47 -3.171 6.790 -28.063 1.00 0.00 N ATOM 2242 CA ILE B 47 -2.783 7.795 -29.098 1.00 0.00 C ATOM 2243 C ILE B 47 -2.933 7.137 -30.470 1.00 0.00 C ATOM 2244 O ILE B 47 -2.659 5.964 -30.630 1.00 0.00 O ATOM 2245 CB ILE B 47 -1.326 8.246 -28.910 1.00 0.00 C ATOM 2246 CG1 ILE B 47 -1.071 8.666 -27.443 1.00 0.00 C ATOM 2247 CG2 ILE B 47 -1.023 9.423 -29.862 1.00 0.00 C ATOM 2248 CD1 ILE B 47 -1.543 10.104 -27.194 1.00 0.00 C ATOM 0 H ILE B 47 -2.397 6.271 -27.649 1.00 0.00 H new ATOM 0 HA ILE B 47 -3.423 8.673 -29.009 1.00 0.00 H new ATOM 0 HB ILE B 47 -0.665 7.412 -29.146 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -1.594 7.986 -26.770 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -0.008 8.584 -27.217 1.00 0.00 H new ATOM 0 HG21 ILE B 47 0.011 9.742 -29.728 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -1.174 9.105 -30.894 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -1.692 10.254 -29.637 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -1.353 10.375 -26.155 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -1.001 10.784 -27.852 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -2.611 10.177 -27.398 1.00 0.00 H new ATOM 2260 N LYS B 48 -3.403 7.866 -31.450 1.00 0.00 N ATOM 2261 CA LYS B 48 -3.615 7.269 -32.808 1.00 0.00 C ATOM 2262 C LYS B 48 -2.561 7.780 -33.797 1.00 0.00 C ATOM 2263 O LYS B 48 -2.368 7.201 -34.848 1.00 0.00 O ATOM 2264 CB LYS B 48 -5.012 7.670 -33.315 1.00 0.00 C ATOM 2265 CG LYS B 48 -6.063 7.521 -32.198 1.00 0.00 C ATOM 2266 CD LYS B 48 -6.368 6.044 -31.927 1.00 0.00 C ATOM 2267 CE LYS B 48 -7.210 5.936 -30.657 1.00 0.00 C ATOM 2268 NZ LYS B 48 -7.800 4.572 -30.560 1.00 0.00 N ATOM 0 H LYS B 48 -3.650 8.852 -31.370 1.00 0.00 H new ATOM 0 HA LYS B 48 -3.529 6.185 -32.733 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -4.994 8.701 -33.668 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -5.288 7.047 -34.166 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -5.700 7.995 -31.286 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -6.979 8.039 -32.483 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -6.902 5.609 -32.771 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -5.441 5.483 -31.813 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -6.593 6.139 -29.782 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -8.002 6.685 -30.669 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -8.372 4.502 -29.695 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -8.403 4.395 -31.389 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -7.038 3.865 -30.529 1.00 0.00 H new ATOM 2282 N GLU B 49 -1.890 8.864 -33.491 1.00 0.00 N ATOM 2283 CA GLU B 49 -0.868 9.407 -34.441 1.00 0.00 C ATOM 2284 C GLU B 49 0.361 9.901 -33.662 1.00 0.00 C ATOM 2285 O GLU B 49 0.255 10.454 -32.585 1.00 0.00 O ATOM 2286 CB GLU B 49 -1.500 10.551 -35.241 1.00 0.00 C ATOM 2287 CG GLU B 49 -0.544 11.022 -36.342 1.00 0.00 C ATOM 2288 CD GLU B 49 -0.350 9.909 -37.378 1.00 0.00 C ATOM 2289 OE1 GLU B 49 -1.124 8.967 -37.363 1.00 0.00 O ATOM 2290 OE2 GLU B 49 0.572 10.021 -38.170 1.00 0.00 O ATOM 0 H GLU B 49 -2.005 9.395 -32.628 1.00 0.00 H new ATOM 0 HA GLU B 49 -0.541 8.626 -35.127 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -2.439 10.219 -35.683 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -1.737 11.381 -34.576 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -0.943 11.914 -36.825 1.00 0.00 H new ATOM 0 HG3 GLU B 49 0.417 11.298 -35.908 1.00 0.00 H new ATOM 2297 N GLN B 50 1.526 9.679 -34.208 1.00 0.00 N ATOM 2298 CA GLN B 50 2.798 10.092 -33.537 1.00 0.00 C ATOM 2299 C GLN B 50 2.834 11.606 -33.312 1.00 0.00 C ATOM 2300 O GLN B 50 3.493 12.083 -32.415 1.00 0.00 O ATOM 2301 CB GLN B 50 3.970 9.710 -34.443 1.00 0.00 C ATOM 2302 CG GLN B 50 4.020 8.190 -34.621 1.00 0.00 C ATOM 2303 CD GLN B 50 4.473 7.518 -33.322 1.00 0.00 C ATOM 2304 OE1 GLN B 50 4.128 6.381 -33.068 1.00 0.00 O ATOM 2305 NE2 GLN B 50 5.235 8.169 -32.484 1.00 0.00 N ATOM 0 H GLN B 50 1.655 9.219 -35.109 1.00 0.00 H new ATOM 0 HA GLN B 50 2.863 9.591 -32.571 1.00 0.00 H new ATOM 0 HB2 GLN B 50 3.863 10.195 -35.413 1.00 0.00 H new ATOM 0 HB3 GLN B 50 4.905 10.065 -34.011 1.00 0.00 H new ATOM 0 HG2 GLN B 50 3.036 7.818 -34.907 1.00 0.00 H new ATOM 0 HG3 GLN B 50 4.705 7.934 -35.429 1.00 0.00 H new ATOM 0 HE21 GLN B 50 5.526 9.124 -32.695 1.00 0.00 H new ATOM 0 HE22 GLN B 50 5.539 7.723 -31.619 1.00 0.00 H new ATOM 2314 N GLU B 51 2.162 12.366 -34.128 1.00 0.00 N ATOM 2315 CA GLU B 51 2.198 13.850 -33.964 1.00 0.00 C ATOM 2316 C GLU B 51 1.663 14.245 -32.591 1.00 0.00 C ATOM 2317 O GLU B 51 2.169 15.148 -31.968 1.00 0.00 O ATOM 2318 CB GLU B 51 1.352 14.513 -35.059 1.00 0.00 C ATOM 2319 CG GLU B 51 -0.133 14.233 -34.813 1.00 0.00 C ATOM 2320 CD GLU B 51 -0.948 14.724 -36.012 1.00 0.00 C ATOM 2321 OE1 GLU B 51 -0.440 15.552 -36.749 1.00 0.00 O ATOM 2322 OE2 GLU B 51 -2.067 14.263 -36.172 1.00 0.00 O ATOM 0 H GLU B 51 1.589 12.028 -34.901 1.00 0.00 H new ATOM 0 HA GLU B 51 3.231 14.188 -34.049 1.00 0.00 H new ATOM 0 HB2 GLU B 51 1.531 15.588 -35.068 1.00 0.00 H new ATOM 0 HB3 GLU B 51 1.645 14.133 -36.037 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -0.293 13.165 -34.663 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -0.464 14.736 -33.904 1.00 0.00 H new ATOM 2329 N VAL B 52 0.644 13.591 -32.116 1.00 0.00 N ATOM 2330 CA VAL B 52 0.099 13.958 -30.783 1.00 0.00 C ATOM 2331 C VAL B 52 1.187 13.780 -29.747 1.00 0.00 C ATOM 2332 O VAL B 52 1.332 14.569 -28.840 1.00 0.00 O ATOM 2333 CB VAL B 52 -1.085 13.053 -30.449 1.00 0.00 C ATOM 2334 CG1 VAL B 52 -1.605 13.378 -29.047 1.00 0.00 C ATOM 2335 CG2 VAL B 52 -2.197 13.260 -31.482 1.00 0.00 C ATOM 0 H VAL B 52 0.167 12.823 -32.589 1.00 0.00 H new ATOM 0 HA VAL B 52 -0.237 14.995 -30.790 1.00 0.00 H new ATOM 0 HB VAL B 52 -0.763 12.012 -30.475 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -2.450 12.730 -28.813 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -0.811 13.217 -28.318 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -1.925 14.419 -29.010 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -3.041 12.613 -31.242 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -2.521 14.301 -31.465 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -1.822 13.013 -32.475 1.00 0.00 H new ATOM 2345 N VAL B 53 1.948 12.747 -29.875 1.00 0.00 N ATOM 2346 CA VAL B 53 3.035 12.502 -28.905 1.00 0.00 C ATOM 2347 C VAL B 53 4.074 13.607 -29.011 1.00 0.00 C ATOM 2348 O VAL B 53 4.620 14.032 -28.029 1.00 0.00 O ATOM 2349 CB VAL B 53 3.671 11.153 -29.208 1.00 0.00 C ATOM 2350 CG1 VAL B 53 4.766 10.854 -28.191 1.00 0.00 C ATOM 2351 CG2 VAL B 53 2.592 10.078 -29.142 1.00 0.00 C ATOM 0 H VAL B 53 1.865 12.052 -30.617 1.00 0.00 H new ATOM 0 HA VAL B 53 2.635 12.495 -27.891 1.00 0.00 H new ATOM 0 HB VAL B 53 4.116 11.169 -30.203 1.00 0.00 H new ATOM 0 HG11 VAL B 53 5.216 9.887 -28.415 1.00 0.00 H new ATOM 0 HG12 VAL B 53 5.530 11.630 -28.240 1.00 0.00 H new ATOM 0 HG13 VAL B 53 4.336 10.831 -27.190 1.00 0.00 H new ATOM 0 HG21 VAL B 53 3.034 9.105 -29.357 1.00 0.00 H new ATOM 0 HG22 VAL B 53 2.153 10.064 -28.145 1.00 0.00 H new ATOM 0 HG23 VAL B 53 1.817 10.295 -29.877 1.00 0.00 H new ATOM 2361 N ASP B 54 4.359 14.063 -30.195 1.00 0.00 N ATOM 2362 CA ASP B 54 5.381 15.137 -30.358 1.00 0.00 C ATOM 2363 C ASP B 54 4.900 16.427 -29.698 1.00 0.00 C ATOM 2364 O ASP B 54 5.672 17.169 -29.130 1.00 0.00 O ATOM 2365 CB ASP B 54 5.638 15.390 -31.845 1.00 0.00 C ATOM 2366 CG ASP B 54 6.781 16.396 -31.996 1.00 0.00 C ATOM 2367 OD1 ASP B 54 7.139 17.010 -31.004 1.00 0.00 O ATOM 2368 OD2 ASP B 54 7.278 16.537 -33.102 1.00 0.00 O ATOM 0 H ASP B 54 3.929 13.739 -31.061 1.00 0.00 H new ATOM 0 HA ASP B 54 6.306 14.815 -29.880 1.00 0.00 H new ATOM 0 HB2 ASP B 54 5.892 14.456 -32.346 1.00 0.00 H new ATOM 0 HB3 ASP B 54 4.736 15.773 -32.322 1.00 0.00 H new ATOM 2373 N LYS B 55 3.631 16.697 -29.771 1.00 0.00 N ATOM 2374 CA LYS B 55 3.092 17.938 -29.149 1.00 0.00 C ATOM 2375 C LYS B 55 3.232 17.801 -27.644 1.00 0.00 C ATOM 2376 O LYS B 55 3.597 18.728 -26.945 1.00 0.00 O ATOM 2377 CB LYS B 55 1.615 18.110 -29.514 1.00 0.00 C ATOM 2378 CG LYS B 55 1.096 19.432 -28.938 1.00 0.00 C ATOM 2379 CD LYS B 55 -0.380 19.606 -29.301 1.00 0.00 C ATOM 2380 CE LYS B 55 -0.851 20.994 -28.863 1.00 0.00 C ATOM 2381 NZ LYS B 55 -0.188 22.029 -29.706 1.00 0.00 N ATOM 0 H LYS B 55 2.938 16.110 -30.236 1.00 0.00 H new ATOM 0 HA LYS B 55 3.640 18.809 -29.509 1.00 0.00 H new ATOM 0 HB2 LYS B 55 1.494 18.101 -30.597 1.00 0.00 H new ATOM 0 HB3 LYS B 55 1.033 17.276 -29.121 1.00 0.00 H new ATOM 0 HG2 LYS B 55 1.218 19.441 -27.855 1.00 0.00 H new ATOM 0 HG3 LYS B 55 1.678 20.265 -29.331 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -0.518 19.485 -30.375 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -0.979 18.836 -28.814 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -1.934 21.070 -28.959 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -0.612 21.157 -27.812 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -0.731 22.915 -29.659 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 0.777 22.196 -29.356 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -0.147 21.700 -30.692 1.00 0.00 H new ATOM 2395 N VAL B 56 2.970 16.629 -27.147 1.00 0.00 N ATOM 2396 CA VAL B 56 3.111 16.394 -25.692 1.00 0.00 C ATOM 2397 C VAL B 56 4.584 16.549 -25.346 1.00 0.00 C ATOM 2398 O VAL B 56 4.946 16.985 -24.272 1.00 0.00 O ATOM 2399 CB VAL B 56 2.620 14.976 -25.351 1.00 0.00 C ATOM 2400 CG1 VAL B 56 3.189 14.522 -24.001 1.00 0.00 C ATOM 2401 CG2 VAL B 56 1.091 14.977 -25.274 1.00 0.00 C ATOM 0 H VAL B 56 2.663 15.822 -27.690 1.00 0.00 H new ATOM 0 HA VAL B 56 2.515 17.104 -25.118 1.00 0.00 H new ATOM 0 HB VAL B 56 2.958 14.290 -26.128 1.00 0.00 H new ATOM 0 HG11 VAL B 56 2.832 13.517 -23.775 1.00 0.00 H new ATOM 0 HG12 VAL B 56 4.278 14.518 -24.048 1.00 0.00 H new ATOM 0 HG13 VAL B 56 2.862 15.208 -23.219 1.00 0.00 H new ATOM 0 HG21 VAL B 56 0.738 13.974 -25.033 1.00 0.00 H new ATOM 0 HG22 VAL B 56 0.766 15.672 -24.500 1.00 0.00 H new ATOM 0 HG23 VAL B 56 0.679 15.285 -26.235 1.00 0.00 H new ATOM 2411 N MET B 57 5.437 16.192 -26.261 1.00 0.00 N ATOM 2412 CA MET B 57 6.891 16.313 -25.995 1.00 0.00 C ATOM 2413 C MET B 57 7.279 17.782 -25.955 1.00 0.00 C ATOM 2414 O MET B 57 8.167 18.166 -25.250 1.00 0.00 O ATOM 2415 CB MET B 57 7.693 15.576 -27.063 1.00 0.00 C ATOM 2416 CG MET B 57 7.522 14.069 -26.855 1.00 0.00 C ATOM 2417 SD MET B 57 8.414 13.548 -25.366 1.00 0.00 S ATOM 2418 CE MET B 57 10.070 13.414 -26.088 1.00 0.00 C ATOM 0 H MET B 57 5.190 15.823 -27.179 1.00 0.00 H new ATOM 0 HA MET B 57 7.116 15.859 -25.030 1.00 0.00 H new ATOM 0 HB2 MET B 57 7.349 15.861 -28.057 1.00 0.00 H new ATOM 0 HB3 MET B 57 8.746 15.849 -26.999 1.00 0.00 H new ATOM 0 HG2 MET B 57 6.464 13.824 -26.761 1.00 0.00 H new ATOM 0 HG3 MET B 57 7.898 13.528 -27.723 1.00 0.00 H new ATOM 0 HE1 MET B 57 10.360 12.365 -26.142 1.00 0.00 H new ATOM 0 HE2 MET B 57 10.065 13.841 -27.091 1.00 0.00 H new ATOM 0 HE3 MET B 57 10.783 13.956 -25.466 1.00 0.00 H new ATOM 2428 N GLU B 58 6.611 18.627 -26.671 1.00 0.00 N ATOM 2429 CA GLU B 58 6.987 20.060 -26.597 1.00 0.00 C ATOM 2430 C GLU B 58 6.837 20.479 -25.135 1.00 0.00 C ATOM 2431 O GLU B 58 7.648 21.200 -24.589 1.00 0.00 O ATOM 2432 CB GLU B 58 6.056 20.883 -27.490 1.00 0.00 C ATOM 2433 CG GLU B 58 6.446 22.360 -27.421 1.00 0.00 C ATOM 2434 CD GLU B 58 5.515 23.171 -28.324 1.00 0.00 C ATOM 2435 OE1 GLU B 58 4.760 22.560 -29.062 1.00 0.00 O ATOM 2436 OE2 GLU B 58 5.578 24.387 -28.268 1.00 0.00 O ATOM 0 H GLU B 58 5.836 18.399 -27.293 1.00 0.00 H new ATOM 0 HA GLU B 58 8.008 20.224 -26.941 1.00 0.00 H new ATOM 0 HB2 GLU B 58 6.117 20.529 -28.519 1.00 0.00 H new ATOM 0 HB3 GLU B 58 5.022 20.755 -27.169 1.00 0.00 H new ATOM 0 HG2 GLU B 58 6.378 22.718 -26.394 1.00 0.00 H new ATOM 0 HG3 GLU B 58 7.481 22.490 -27.736 1.00 0.00 H new ATOM 2443 N THR B 59 5.804 20.003 -24.498 1.00 0.00 N ATOM 2444 CA THR B 59 5.577 20.329 -23.063 1.00 0.00 C ATOM 2445 C THR B 59 6.549 19.552 -22.154 1.00 0.00 C ATOM 2446 O THR B 59 7.079 20.095 -21.205 1.00 0.00 O ATOM 2447 CB THR B 59 4.134 19.962 -22.705 1.00 0.00 C ATOM 2448 OG1 THR B 59 3.243 20.728 -23.504 1.00 0.00 O ATOM 2449 CG2 THR B 59 3.860 20.241 -21.225 1.00 0.00 C ATOM 0 H THR B 59 5.099 19.395 -24.916 1.00 0.00 H new ATOM 0 HA THR B 59 5.753 21.394 -22.908 1.00 0.00 H new ATOM 0 HB THR B 59 3.983 18.899 -22.894 1.00 0.00 H new ATOM 0 HG1 THR B 59 2.318 20.494 -23.279 1.00 0.00 H new ATOM 0 HG21 THR B 59 2.830 19.974 -20.989 1.00 0.00 H new ATOM 0 HG22 THR B 59 4.538 19.648 -20.611 1.00 0.00 H new ATOM 0 HG23 THR B 59 4.017 21.300 -21.019 1.00 0.00 H new ATOM 2457 N LEU B 60 6.770 18.284 -22.412 1.00 0.00 N ATOM 2458 CA LEU B 60 7.686 17.486 -21.532 1.00 0.00 C ATOM 2459 C LEU B 60 9.122 17.573 -22.038 1.00 0.00 C ATOM 2460 O LEU B 60 10.054 17.283 -21.319 1.00 0.00 O ATOM 2461 CB LEU B 60 7.242 16.021 -21.516 1.00 0.00 C ATOM 2462 CG LEU B 60 5.740 15.928 -21.223 1.00 0.00 C ATOM 2463 CD1 LEU B 60 5.325 14.456 -21.201 1.00 0.00 C ATOM 2464 CD2 LEU B 60 5.419 16.569 -19.866 1.00 0.00 C ATOM 0 H LEU B 60 6.358 17.769 -23.190 1.00 0.00 H new ATOM 0 HA LEU B 60 7.640 17.895 -20.523 1.00 0.00 H new ATOM 0 HB2 LEU B 60 7.462 15.556 -22.477 1.00 0.00 H new ATOM 0 HB3 LEU B 60 7.803 15.471 -20.760 1.00 0.00 H new ATOM 0 HG LEU B 60 5.191 16.460 -22.000 1.00 0.00 H new ATOM 0 HD11 LEU B 60 4.258 14.382 -20.993 1.00 0.00 H new ATOM 0 HD12 LEU B 60 5.538 14.003 -22.169 1.00 0.00 H new ATOM 0 HD13 LEU B 60 5.883 13.932 -20.425 1.00 0.00 H new ATOM 0 HD21 LEU B 60 4.349 16.495 -19.673 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.967 16.050 -19.080 1.00 0.00 H new ATOM 0 HD23 LEU B 60 5.713 17.618 -19.881 1.00 0.00 H new ATOM 2476 N ASP B 61 9.322 17.991 -23.253 1.00 0.00 N ATOM 2477 CA ASP B 61 10.717 18.117 -23.758 1.00 0.00 C ATOM 2478 C ASP B 61 11.235 19.441 -23.237 1.00 0.00 C ATOM 2479 O ASP B 61 11.534 20.356 -23.977 1.00 0.00 O ATOM 2480 CB ASP B 61 10.756 18.106 -25.287 1.00 0.00 C ATOM 2481 CG ASP B 61 12.205 18.013 -25.752 1.00 0.00 C ATOM 2482 OD1 ASP B 61 13.076 17.921 -24.901 1.00 0.00 O ATOM 2483 OD2 ASP B 61 12.421 18.032 -26.951 1.00 0.00 O ATOM 0 H ASP B 61 8.589 18.249 -23.914 1.00 0.00 H new ATOM 0 HA ASP B 61 11.326 17.279 -23.419 1.00 0.00 H new ATOM 0 HB2 ASP B 61 10.184 17.262 -25.671 1.00 0.00 H new ATOM 0 HB3 ASP B 61 10.293 19.011 -25.681 1.00 0.00 H new ATOM 2488 N GLU B 62 11.300 19.544 -21.950 1.00 0.00 N ATOM 2489 CA GLU B 62 11.748 20.800 -21.314 1.00 0.00 C ATOM 2490 C GLU B 62 13.168 21.127 -21.769 1.00 0.00 C ATOM 2491 O GLU B 62 13.500 22.269 -22.021 1.00 0.00 O ATOM 2492 CB GLU B 62 11.716 20.607 -19.803 1.00 0.00 C ATOM 2493 CG GLU B 62 10.366 19.997 -19.396 1.00 0.00 C ATOM 2494 CD GLU B 62 10.221 20.055 -17.874 1.00 0.00 C ATOM 2495 OE1 GLU B 62 11.201 20.369 -17.218 1.00 0.00 O ATOM 2496 OE2 GLU B 62 9.134 19.784 -17.391 1.00 0.00 O ATOM 0 H GLU B 62 11.057 18.797 -21.299 1.00 0.00 H new ATOM 0 HA GLU B 62 11.093 21.624 -21.598 1.00 0.00 H new ATOM 0 HB2 GLU B 62 12.531 19.954 -19.491 1.00 0.00 H new ATOM 0 HB3 GLU B 62 11.862 21.563 -19.300 1.00 0.00 H new ATOM 0 HG2 GLU B 62 9.550 20.542 -19.871 1.00 0.00 H new ATOM 0 HG3 GLU B 62 10.303 18.964 -19.739 1.00 0.00 H new ATOM 2503 N ASP B 63 14.012 20.141 -21.882 1.00 0.00 N ATOM 2504 CA ASP B 63 15.408 20.411 -22.329 1.00 0.00 C ATOM 2505 C ASP B 63 15.434 20.538 -23.856 1.00 0.00 C ATOM 2506 O ASP B 63 16.433 20.905 -24.442 1.00 0.00 O ATOM 2507 CB ASP B 63 16.325 19.269 -21.879 1.00 0.00 C ATOM 2508 CG ASP B 63 16.005 17.997 -22.666 1.00 0.00 C ATOM 2509 OD1 ASP B 63 14.970 17.965 -23.310 1.00 0.00 O ATOM 2510 OD2 ASP B 63 16.802 17.076 -22.606 1.00 0.00 O ATOM 0 H ASP B 63 13.798 19.163 -21.685 1.00 0.00 H new ATOM 0 HA ASP B 63 15.762 21.341 -21.885 1.00 0.00 H new ATOM 0 HB2 ASP B 63 17.368 19.548 -22.032 1.00 0.00 H new ATOM 0 HB3 ASP B 63 16.196 19.088 -20.812 1.00 0.00 H new ATOM 2515 N GLY B 64 14.335 20.255 -24.505 1.00 0.00 N ATOM 2516 CA GLY B 64 14.296 20.380 -25.995 1.00 0.00 C ATOM 2517 C GLY B 64 15.179 19.306 -26.643 1.00 0.00 C ATOM 2518 O GLY B 64 15.838 19.557 -27.632 1.00 0.00 O ATOM 0 H GLY B 64 13.466 19.944 -24.072 1.00 0.00 H new ATOM 0 HA2 GLY B 64 13.270 20.279 -26.348 1.00 0.00 H new ATOM 0 HA3 GLY B 64 14.639 21.371 -26.293 1.00 0.00 H new ATOM 2522 N ASP B 65 15.208 18.114 -26.092 1.00 0.00 N ATOM 2523 CA ASP B 65 16.062 17.026 -26.674 1.00 0.00 C ATOM 2524 C ASP B 65 15.188 16.005 -27.405 1.00 0.00 C ATOM 2525 O ASP B 65 15.674 15.024 -27.932 1.00 0.00 O ATOM 2526 CB ASP B 65 16.806 16.322 -25.539 1.00 0.00 C ATOM 2527 CG ASP B 65 15.789 15.708 -24.579 1.00 0.00 C ATOM 2528 OD1 ASP B 65 14.621 16.040 -24.697 1.00 0.00 O ATOM 2529 OD2 ASP B 65 16.195 14.922 -23.739 1.00 0.00 O ATOM 0 H ASP B 65 14.677 17.847 -25.263 1.00 0.00 H new ATOM 0 HA ASP B 65 16.769 17.462 -27.380 1.00 0.00 H new ATOM 0 HB2 ASP B 65 17.459 15.547 -25.941 1.00 0.00 H new ATOM 0 HB3 ASP B 65 17.442 17.031 -25.010 1.00 0.00 H new ATOM 2534 N GLY B 66 13.902 16.215 -27.430 1.00 0.00 N ATOM 2535 CA GLY B 66 13.004 15.242 -28.113 1.00 0.00 C ATOM 2536 C GLY B 66 12.835 14.021 -27.209 1.00 0.00 C ATOM 2537 O GLY B 66 12.225 13.035 -27.572 1.00 0.00 O ATOM 0 H GLY B 66 13.434 17.017 -27.008 1.00 0.00 H new ATOM 0 HA2 GLY B 66 12.036 15.699 -28.317 1.00 0.00 H new ATOM 0 HA3 GLY B 66 13.426 14.947 -29.074 1.00 0.00 H new ATOM 2541 N GLU B 67 13.386 14.092 -26.027 1.00 0.00 N ATOM 2542 CA GLU B 67 13.293 12.963 -25.058 1.00 0.00 C ATOM 2543 C GLU B 67 13.003 13.536 -23.668 1.00 0.00 C ATOM 2544 O GLU B 67 13.638 14.479 -23.242 1.00 0.00 O ATOM 2545 CB GLU B 67 14.639 12.235 -25.011 1.00 0.00 C ATOM 2546 CG GLU B 67 15.099 11.911 -26.430 1.00 0.00 C ATOM 2547 CD GLU B 67 16.444 11.184 -26.375 1.00 0.00 C ATOM 2548 OE1 GLU B 67 17.000 11.091 -25.293 1.00 0.00 O ATOM 2549 OE2 GLU B 67 16.887 10.721 -27.412 1.00 0.00 O ATOM 0 H GLU B 67 13.906 14.901 -25.687 1.00 0.00 H new ATOM 0 HA GLU B 67 12.504 12.275 -25.361 1.00 0.00 H new ATOM 0 HB2 GLU B 67 15.382 12.856 -24.511 1.00 0.00 H new ATOM 0 HB3 GLU B 67 14.547 11.317 -24.430 1.00 0.00 H new ATOM 0 HG2 GLU B 67 14.357 11.289 -26.931 1.00 0.00 H new ATOM 0 HG3 GLU B 67 15.192 12.828 -27.012 1.00 0.00 H new ATOM 2556 N CYS B 68 12.076 12.962 -22.944 1.00 0.00 N ATOM 2557 CA CYS B 68 11.779 13.471 -21.560 1.00 0.00 C ATOM 2558 C CYS B 68 12.438 12.525 -20.559 1.00 0.00 C ATOM 2559 O CYS B 68 12.281 11.332 -20.630 1.00 0.00 O ATOM 2560 CB CYS B 68 10.266 13.534 -21.322 1.00 0.00 C ATOM 2561 SG CYS B 68 9.561 11.872 -21.463 1.00 0.00 S ATOM 0 H CYS B 68 11.512 12.167 -23.244 1.00 0.00 H new ATOM 0 HA CYS B 68 12.173 14.480 -21.440 1.00 0.00 H new ATOM 0 HB2 CYS B 68 10.060 13.945 -20.334 1.00 0.00 H new ATOM 0 HB3 CYS B 68 9.801 14.201 -22.048 1.00 0.00 H new ATOM 0 HG CYS B 68 10.294 11.032 -20.795 1.00 0.00 H new ATOM 2567 N ASP B 69 13.198 13.050 -19.644 1.00 0.00 N ATOM 2568 CA ASP B 69 13.904 12.179 -18.658 1.00 0.00 C ATOM 2569 C ASP B 69 12.945 11.746 -17.549 1.00 0.00 C ATOM 2570 O ASP B 69 11.822 12.200 -17.470 1.00 0.00 O ATOM 2571 CB ASP B 69 15.086 12.945 -18.054 1.00 0.00 C ATOM 2572 CG ASP B 69 14.567 14.066 -17.153 1.00 0.00 C ATOM 2573 OD1 ASP B 69 13.389 14.365 -17.237 1.00 0.00 O ATOM 2574 OD2 ASP B 69 15.355 14.600 -16.390 1.00 0.00 O ATOM 0 H ASP B 69 13.364 14.050 -19.533 1.00 0.00 H new ATOM 0 HA ASP B 69 14.270 11.289 -19.169 1.00 0.00 H new ATOM 0 HB2 ASP B 69 15.716 12.266 -17.480 1.00 0.00 H new ATOM 0 HB3 ASP B 69 15.706 13.361 -18.848 1.00 0.00 H new ATOM 2579 N PHE B 70 13.383 10.857 -16.696 1.00 0.00 N ATOM 2580 CA PHE B 70 12.511 10.379 -15.598 1.00 0.00 C ATOM 2581 C PHE B 70 11.884 11.581 -14.894 1.00 0.00 C ATOM 2582 O PHE B 70 10.732 11.560 -14.541 1.00 0.00 O ATOM 2583 CB PHE B 70 13.363 9.564 -14.615 1.00 0.00 C ATOM 2584 CG PHE B 70 12.595 9.266 -13.341 1.00 0.00 C ATOM 2585 CD1 PHE B 70 11.297 8.740 -13.397 1.00 0.00 C ATOM 2586 CD2 PHE B 70 13.192 9.506 -12.095 1.00 0.00 C ATOM 2587 CE1 PHE B 70 10.604 8.460 -12.220 1.00 0.00 C ATOM 2588 CE2 PHE B 70 12.497 9.223 -10.921 1.00 0.00 C ATOM 2589 CZ PHE B 70 11.201 8.701 -10.979 1.00 0.00 C ATOM 0 H PHE B 70 14.315 10.443 -16.718 1.00 0.00 H new ATOM 0 HA PHE B 70 11.713 9.749 -15.990 1.00 0.00 H new ATOM 0 HB2 PHE B 70 13.671 8.630 -15.084 1.00 0.00 H new ATOM 0 HB3 PHE B 70 14.272 10.115 -14.374 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.833 8.551 -14.354 1.00 0.00 H new ATOM 0 HD2 PHE B 70 14.192 9.911 -12.045 1.00 0.00 H new ATOM 0 HE1 PHE B 70 9.604 8.056 -12.267 1.00 0.00 H new ATOM 0 HE2 PHE B 70 12.961 9.407 -9.963 1.00 0.00 H new ATOM 0 HZ PHE B 70 10.663 8.485 -10.068 1.00 0.00 H new ATOM 2599 N GLN B 71 12.624 12.633 -14.694 1.00 0.00 N ATOM 2600 CA GLN B 71 12.038 13.830 -14.024 1.00 0.00 C ATOM 2601 C GLN B 71 10.949 14.460 -14.907 1.00 0.00 C ATOM 2602 O GLN B 71 9.846 14.708 -14.463 1.00 0.00 O ATOM 2603 CB GLN B 71 13.160 14.851 -13.763 1.00 0.00 C ATOM 2604 CG GLN B 71 12.571 16.240 -13.473 1.00 0.00 C ATOM 2605 CD GLN B 71 13.674 17.166 -12.955 1.00 0.00 C ATOM 2606 OE1 GLN B 71 14.708 16.710 -12.508 1.00 0.00 O ATOM 2607 NE2 GLN B 71 13.494 18.458 -12.994 1.00 0.00 N ATOM 0 H GLN B 71 13.604 12.718 -14.963 1.00 0.00 H new ATOM 0 HA GLN B 71 11.581 13.531 -13.080 1.00 0.00 H new ATOM 0 HB2 GLN B 71 13.767 14.524 -12.919 1.00 0.00 H new ATOM 0 HB3 GLN B 71 13.820 14.904 -14.629 1.00 0.00 H new ATOM 0 HG2 GLN B 71 12.129 16.655 -14.379 1.00 0.00 H new ATOM 0 HG3 GLN B 71 11.772 16.161 -12.736 1.00 0.00 H new ATOM 0 HE21 GLN B 71 12.626 18.841 -13.369 1.00 0.00 H new ATOM 0 HE22 GLN B 71 14.221 19.085 -12.649 1.00 0.00 H new ATOM 2616 N GLU B 72 11.257 14.751 -16.139 1.00 0.00 N ATOM 2617 CA GLU B 72 10.245 15.397 -17.023 1.00 0.00 C ATOM 2618 C GLU B 72 9.016 14.496 -17.202 1.00 0.00 C ATOM 2619 O GLU B 72 7.889 14.957 -17.183 1.00 0.00 O ATOM 2620 CB GLU B 72 10.896 15.704 -18.372 1.00 0.00 C ATOM 2621 CG GLU B 72 11.907 16.841 -18.195 1.00 0.00 C ATOM 2622 CD GLU B 72 12.609 17.122 -19.525 1.00 0.00 C ATOM 2623 OE1 GLU B 72 12.163 16.598 -20.529 1.00 0.00 O ATOM 2624 OE2 GLU B 72 13.587 17.851 -19.515 1.00 0.00 O ATOM 0 H GLU B 72 12.163 14.571 -16.572 1.00 0.00 H new ATOM 0 HA GLU B 72 9.902 16.324 -16.564 1.00 0.00 H new ATOM 0 HB2 GLU B 72 11.394 14.815 -18.760 1.00 0.00 H new ATOM 0 HB3 GLU B 72 10.136 15.987 -19.100 1.00 0.00 H new ATOM 0 HG2 GLU B 72 11.400 17.740 -17.844 1.00 0.00 H new ATOM 0 HG3 GLU B 72 12.641 16.572 -17.435 1.00 0.00 H new ATOM 2631 N PHE B 73 9.215 13.219 -17.347 1.00 0.00 N ATOM 2632 CA PHE B 73 8.058 12.293 -17.499 1.00 0.00 C ATOM 2633 C PHE B 73 7.229 12.295 -16.211 1.00 0.00 C ATOM 2634 O PHE B 73 6.015 12.201 -16.229 1.00 0.00 O ATOM 2635 CB PHE B 73 8.582 10.881 -17.778 1.00 0.00 C ATOM 2636 CG PHE B 73 7.449 9.888 -17.682 1.00 0.00 C ATOM 2637 CD1 PHE B 73 6.681 9.584 -18.808 1.00 0.00 C ATOM 2638 CD2 PHE B 73 7.167 9.280 -16.455 1.00 0.00 C ATOM 2639 CE1 PHE B 73 5.630 8.665 -18.709 1.00 0.00 C ATOM 2640 CE2 PHE B 73 6.119 8.362 -16.353 1.00 0.00 C ATOM 2641 CZ PHE B 73 5.349 8.054 -17.479 1.00 0.00 C ATOM 0 H PHE B 73 10.132 12.773 -17.367 1.00 0.00 H new ATOM 0 HA PHE B 73 7.429 12.619 -18.328 1.00 0.00 H new ATOM 0 HB2 PHE B 73 9.031 10.839 -18.770 1.00 0.00 H new ATOM 0 HB3 PHE B 73 9.364 10.625 -17.063 1.00 0.00 H new ATOM 0 HD1 PHE B 73 6.898 10.057 -19.754 1.00 0.00 H new ATOM 0 HD2 PHE B 73 7.760 9.520 -15.585 1.00 0.00 H new ATOM 0 HE1 PHE B 73 5.036 8.427 -19.579 1.00 0.00 H new ATOM 0 HE2 PHE B 73 5.904 7.891 -15.405 1.00 0.00 H new ATOM 0 HZ PHE B 73 4.538 7.345 -17.401 1.00 0.00 H new ATOM 2651 N MET B 74 7.890 12.385 -15.097 1.00 0.00 N ATOM 2652 CA MET B 74 7.184 12.373 -13.790 1.00 0.00 C ATOM 2653 C MET B 74 6.201 13.542 -13.692 1.00 0.00 C ATOM 2654 O MET B 74 5.124 13.418 -13.135 1.00 0.00 O ATOM 2655 CB MET B 74 8.224 12.453 -12.659 1.00 0.00 C ATOM 2656 CG MET B 74 8.764 11.050 -12.342 1.00 0.00 C ATOM 2657 SD MET B 74 7.447 10.039 -11.618 1.00 0.00 S ATOM 2658 CE MET B 74 7.222 10.991 -10.099 1.00 0.00 C ATOM 0 H MET B 74 8.905 12.468 -15.034 1.00 0.00 H new ATOM 0 HA MET B 74 6.613 11.449 -13.700 1.00 0.00 H new ATOM 0 HB2 MET B 74 9.043 13.109 -12.953 1.00 0.00 H new ATOM 0 HB3 MET B 74 7.771 12.888 -11.768 1.00 0.00 H new ATOM 0 HG2 MET B 74 9.139 10.580 -13.251 1.00 0.00 H new ATOM 0 HG3 MET B 74 9.604 11.120 -11.650 1.00 0.00 H new ATOM 0 HE1 MET B 74 6.742 10.366 -9.346 1.00 0.00 H new ATOM 0 HE2 MET B 74 8.193 11.322 -9.730 1.00 0.00 H new ATOM 0 HE3 MET B 74 6.596 11.859 -10.303 1.00 0.00 H new ATOM 2668 N ALA B 75 6.562 14.683 -14.191 1.00 0.00 N ATOM 2669 CA ALA B 75 5.640 15.843 -14.079 1.00 0.00 C ATOM 2670 C ALA B 75 4.391 15.629 -14.939 1.00 0.00 C ATOM 2671 O ALA B 75 3.318 16.099 -14.615 1.00 0.00 O ATOM 2672 CB ALA B 75 6.368 17.125 -14.495 1.00 0.00 C ATOM 0 H ALA B 75 7.445 14.865 -14.667 1.00 0.00 H new ATOM 0 HA ALA B 75 5.320 15.938 -13.041 1.00 0.00 H new ATOM 0 HB1 ALA B 75 5.688 17.973 -14.411 1.00 0.00 H new ATOM 0 HB2 ALA B 75 7.227 17.283 -13.843 1.00 0.00 H new ATOM 0 HB3 ALA B 75 6.707 17.032 -15.527 1.00 0.00 H new ATOM 2678 N PHE B 76 4.511 14.916 -16.015 1.00 0.00 N ATOM 2679 CA PHE B 76 3.321 14.663 -16.879 1.00 0.00 C ATOM 2680 C PHE B 76 2.263 13.937 -16.064 1.00 0.00 C ATOM 2681 O PHE B 76 1.086 14.185 -16.177 1.00 0.00 O ATOM 2682 CB PHE B 76 3.745 13.780 -18.054 1.00 0.00 C ATOM 2683 CG PHE B 76 2.553 13.480 -18.937 1.00 0.00 C ATOM 2684 CD1 PHE B 76 1.894 14.518 -19.608 1.00 0.00 C ATOM 2685 CD2 PHE B 76 2.104 12.159 -19.084 1.00 0.00 C ATOM 2686 CE1 PHE B 76 0.791 14.236 -20.423 1.00 0.00 C ATOM 2687 CE2 PHE B 76 1.003 11.879 -19.898 1.00 0.00 C ATOM 2688 CZ PHE B 76 0.347 12.917 -20.568 1.00 0.00 C ATOM 0 H PHE B 76 5.381 14.494 -16.340 1.00 0.00 H new ATOM 0 HA PHE B 76 2.918 15.606 -17.249 1.00 0.00 H new ATOM 0 HB2 PHE B 76 4.520 14.281 -18.634 1.00 0.00 H new ATOM 0 HB3 PHE B 76 4.176 12.850 -17.683 1.00 0.00 H new ATOM 0 HD1 PHE B 76 2.237 15.536 -19.497 1.00 0.00 H new ATOM 0 HD2 PHE B 76 2.610 11.357 -18.567 1.00 0.00 H new ATOM 0 HE1 PHE B 76 0.283 15.037 -20.940 1.00 0.00 H new ATOM 0 HE2 PHE B 76 0.659 10.861 -20.010 1.00 0.00 H new ATOM 0 HZ PHE B 76 -0.503 12.700 -21.198 1.00 0.00 H new ATOM 2698 N VAL B 77 2.697 13.032 -15.261 1.00 0.00 N ATOM 2699 CA VAL B 77 1.770 12.234 -14.412 1.00 0.00 C ATOM 2700 C VAL B 77 0.982 13.146 -13.477 1.00 0.00 C ATOM 2701 O VAL B 77 -0.181 12.928 -13.221 1.00 0.00 O ATOM 2702 CB VAL B 77 2.597 11.247 -13.580 1.00 0.00 C ATOM 2703 CG1 VAL B 77 1.740 10.041 -13.193 1.00 0.00 C ATOM 2704 CG2 VAL B 77 3.796 10.792 -14.408 1.00 0.00 C ATOM 0 H VAL B 77 3.683 12.797 -15.146 1.00 0.00 H new ATOM 0 HA VAL B 77 1.066 11.700 -15.050 1.00 0.00 H new ATOM 0 HB VAL B 77 2.942 11.733 -12.667 1.00 0.00 H new ATOM 0 HG11 VAL B 77 2.336 9.346 -12.602 1.00 0.00 H new ATOM 0 HG12 VAL B 77 0.885 10.376 -12.606 1.00 0.00 H new ATOM 0 HG13 VAL B 77 1.387 9.541 -14.095 1.00 0.00 H new ATOM 0 HG21 VAL B 77 4.393 10.089 -13.827 1.00 0.00 H new ATOM 0 HG22 VAL B 77 3.446 10.305 -15.318 1.00 0.00 H new ATOM 0 HG23 VAL B 77 4.406 11.656 -14.670 1.00 0.00 H new ATOM 2714 N SER B 78 1.617 14.141 -12.938 1.00 0.00 N ATOM 2715 CA SER B 78 0.904 15.042 -11.991 1.00 0.00 C ATOM 2716 C SER B 78 -0.176 15.834 -12.716 1.00 0.00 C ATOM 2717 O SER B 78 -1.248 16.062 -12.192 1.00 0.00 O ATOM 2718 CB SER B 78 1.899 16.012 -11.359 1.00 0.00 C ATOM 2719 OG SER B 78 1.189 17.051 -10.699 1.00 0.00 O ATOM 0 H SER B 78 2.596 14.372 -13.109 1.00 0.00 H new ATOM 0 HA SER B 78 0.437 14.432 -11.218 1.00 0.00 H new ATOM 0 HB2 SER B 78 2.537 15.485 -10.650 1.00 0.00 H new ATOM 0 HB3 SER B 78 2.552 16.432 -12.125 1.00 0.00 H new ATOM 0 HG SER B 78 1.547 17.920 -10.978 1.00 0.00 H new ATOM 2725 N MET B 79 0.102 16.286 -13.901 1.00 0.00 N ATOM 2726 CA MET B 79 -0.909 17.096 -14.630 1.00 0.00 C ATOM 2727 C MET B 79 -2.102 16.238 -15.072 1.00 0.00 C ATOM 2728 O MET B 79 -3.244 16.657 -14.996 1.00 0.00 O ATOM 2729 CB MET B 79 -0.248 17.709 -15.859 1.00 0.00 C ATOM 2730 CG MET B 79 0.893 18.639 -15.438 1.00 0.00 C ATOM 2731 SD MET B 79 2.009 18.890 -16.843 1.00 0.00 S ATOM 2732 CE MET B 79 0.746 19.219 -18.099 1.00 0.00 C ATOM 0 H MET B 79 0.980 16.132 -14.396 1.00 0.00 H new ATOM 0 HA MET B 79 -1.281 17.873 -13.962 1.00 0.00 H new ATOM 0 HB2 MET B 79 0.136 16.920 -16.506 1.00 0.00 H new ATOM 0 HB3 MET B 79 -0.985 18.265 -16.438 1.00 0.00 H new ATOM 0 HG2 MET B 79 0.493 19.595 -15.101 1.00 0.00 H new ATOM 0 HG3 MET B 79 1.438 18.208 -14.598 1.00 0.00 H new ATOM 0 HE1 MET B 79 1.228 19.525 -19.028 1.00 0.00 H new ATOM 0 HE2 MET B 79 0.162 18.315 -18.274 1.00 0.00 H new ATOM 0 HE3 MET B 79 0.087 20.015 -17.753 1.00 0.00 H new ATOM 2742 N VAL B 80 -1.856 15.049 -15.538 1.00 0.00 N ATOM 2743 CA VAL B 80 -2.984 14.184 -15.993 1.00 0.00 C ATOM 2744 C VAL B 80 -3.804 13.735 -14.786 1.00 0.00 C ATOM 2745 O VAL B 80 -5.005 13.566 -14.863 1.00 0.00 O ATOM 2746 CB VAL B 80 -2.448 12.959 -16.738 1.00 0.00 C ATOM 2747 CG1 VAL B 80 -3.624 12.080 -17.178 1.00 0.00 C ATOM 2748 CG2 VAL B 80 -1.664 13.413 -17.971 1.00 0.00 C ATOM 0 H VAL B 80 -0.927 14.636 -15.625 1.00 0.00 H new ATOM 0 HA VAL B 80 -3.617 14.757 -16.670 1.00 0.00 H new ATOM 0 HB VAL B 80 -1.791 12.391 -16.080 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -3.246 11.206 -17.709 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -4.185 11.757 -16.301 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -4.278 12.651 -17.837 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -1.282 12.540 -18.501 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -2.320 13.980 -18.631 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -0.830 14.042 -17.660 1.00 0.00 H new ATOM 2758 N THR B 81 -3.164 13.540 -13.672 1.00 0.00 N ATOM 2759 CA THR B 81 -3.901 13.101 -12.456 1.00 0.00 C ATOM 2760 C THR B 81 -4.946 14.153 -12.118 1.00 0.00 C ATOM 2761 O THR B 81 -6.057 13.852 -11.735 1.00 0.00 O ATOM 2762 CB THR B 81 -2.936 12.981 -11.283 1.00 0.00 C ATOM 2763 OG1 THR B 81 -1.929 12.031 -11.584 1.00 0.00 O ATOM 2764 CG2 THR B 81 -3.709 12.543 -10.030 1.00 0.00 C ATOM 0 H THR B 81 -2.159 13.666 -13.549 1.00 0.00 H new ATOM 0 HA THR B 81 -4.371 12.135 -12.642 1.00 0.00 H new ATOM 0 HB THR B 81 -2.467 13.948 -11.099 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.146 12.490 -11.953 1.00 0.00 H new ATOM 0 HG21 THR B 81 -3.020 12.456 -9.189 1.00 0.00 H new ATOM 0 HG22 THR B 81 -4.474 13.283 -9.797 1.00 0.00 H new ATOM 0 HG23 THR B 81 -4.181 11.578 -10.213 1.00 0.00 H new ATOM 2772 N THR B 82 -4.585 15.391 -12.261 1.00 0.00 N ATOM 2773 CA THR B 82 -5.534 16.482 -11.957 1.00 0.00 C ATOM 2774 C THR B 82 -6.779 16.271 -12.815 1.00 0.00 C ATOM 2775 O THR B 82 -7.898 16.474 -12.378 1.00 0.00 O ATOM 2776 CB THR B 82 -4.879 17.827 -12.293 1.00 0.00 C ATOM 2777 OG1 THR B 82 -3.543 17.825 -11.811 1.00 0.00 O ATOM 2778 CG2 THR B 82 -5.649 18.962 -11.616 1.00 0.00 C ATOM 0 H THR B 82 -3.664 15.694 -12.578 1.00 0.00 H new ATOM 0 HA THR B 82 -5.806 16.481 -10.901 1.00 0.00 H new ATOM 0 HB THR B 82 -4.890 17.974 -13.373 1.00 0.00 H new ATOM 0 HG1 THR B 82 -3.117 18.682 -12.024 1.00 0.00 H new ATOM 0 HG21 THR B 82 -5.179 19.915 -11.858 1.00 0.00 H new ATOM 0 HG22 THR B 82 -6.680 18.965 -11.971 1.00 0.00 H new ATOM 0 HG23 THR B 82 -5.638 18.816 -10.536 1.00 0.00 H new ATOM 2786 N ALA B 83 -6.592 15.828 -14.027 1.00 0.00 N ATOM 2787 CA ALA B 83 -7.761 15.564 -14.906 1.00 0.00 C ATOM 2788 C ALA B 83 -8.633 14.506 -14.227 1.00 0.00 C ATOM 2789 O ALA B 83 -9.845 14.571 -14.252 1.00 0.00 O ATOM 2790 CB ALA B 83 -7.272 15.054 -16.274 1.00 0.00 C ATOM 0 H ALA B 83 -5.681 15.638 -14.445 1.00 0.00 H new ATOM 0 HA ALA B 83 -8.337 16.476 -15.064 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -8.130 14.861 -16.918 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -6.634 15.807 -16.736 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -6.706 14.133 -16.138 1.00 0.00 H new ATOM 2796 N CYS B 84 -8.013 13.532 -13.614 1.00 0.00 N ATOM 2797 CA CYS B 84 -8.789 12.465 -12.923 1.00 0.00 C ATOM 2798 C CYS B 84 -9.656 13.093 -11.830 1.00 0.00 C ATOM 2799 O CYS B 84 -10.739 12.621 -11.548 1.00 0.00 O ATOM 2800 CB CYS B 84 -7.832 11.454 -12.288 1.00 0.00 C ATOM 2801 SG CYS B 84 -6.608 10.929 -13.513 1.00 0.00 S ATOM 0 H CYS B 84 -6.999 13.431 -13.563 1.00 0.00 H new ATOM 0 HA CYS B 84 -9.422 11.956 -13.650 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -7.333 11.900 -11.428 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -8.388 10.591 -11.921 1.00 0.00 H new ATOM 0 HG CYS B 84 -6.001 11.973 -13.995 1.00 0.00 H new ATOM 2807 N HIS B 85 -9.203 14.153 -11.210 1.00 0.00 N ATOM 2808 CA HIS B 85 -10.034 14.778 -10.145 1.00 0.00 C ATOM 2809 C HIS B 85 -11.377 15.178 -10.743 1.00 0.00 C ATOM 2810 O HIS B 85 -12.420 14.907 -10.181 1.00 0.00 O ATOM 2811 CB HIS B 85 -9.331 16.025 -9.605 1.00 0.00 C ATOM 2812 CG HIS B 85 -10.196 16.660 -8.552 1.00 0.00 C ATOM 2813 ND1 HIS B 85 -10.938 17.807 -8.800 1.00 0.00 N ATOM 2814 CD2 HIS B 85 -10.461 16.314 -7.251 1.00 0.00 C ATOM 2815 CE1 HIS B 85 -11.609 18.107 -7.672 1.00 0.00 C ATOM 2816 NE2 HIS B 85 -11.352 17.229 -6.701 1.00 0.00 N ATOM 0 H HIS B 85 -8.307 14.605 -11.393 1.00 0.00 H new ATOM 0 HA HIS B 85 -10.181 14.069 -9.331 1.00 0.00 H new ATOM 0 HB2 HIS B 85 -8.362 15.758 -9.184 1.00 0.00 H new ATOM 0 HB3 HIS B 85 -9.144 16.731 -10.414 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -10.042 15.463 -6.734 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -12.272 18.953 -7.566 1.00 0.00 H new ATOM 0 HE2 HIS B 85 -11.730 17.229 -5.754 1.00 0.00 H new ATOM 2825 N GLU B 86 -11.372 15.799 -11.887 1.00 0.00 N ATOM 2826 CA GLU B 86 -12.666 16.181 -12.510 1.00 0.00 C ATOM 2827 C GLU B 86 -13.472 14.910 -12.783 1.00 0.00 C ATOM 2828 O GLU B 86 -14.673 14.867 -12.600 1.00 0.00 O ATOM 2829 CB GLU B 86 -12.402 16.913 -13.831 1.00 0.00 C ATOM 2830 CG GLU B 86 -13.727 17.407 -14.426 1.00 0.00 C ATOM 2831 CD GLU B 86 -14.475 16.245 -15.091 1.00 0.00 C ATOM 2832 OE1 GLU B 86 -13.834 15.264 -15.430 1.00 0.00 O ATOM 2833 OE2 GLU B 86 -15.680 16.356 -15.244 1.00 0.00 O ATOM 0 H GLU B 86 -10.537 16.056 -12.413 1.00 0.00 H new ATOM 0 HA GLU B 86 -13.222 16.838 -11.841 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -11.732 17.756 -13.662 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -11.904 16.245 -14.534 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -14.345 17.846 -13.642 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -13.535 18.192 -15.158 1.00 0.00 H new ATOM 2840 N PHE B 87 -12.811 13.877 -13.226 1.00 0.00 N ATOM 2841 CA PHE B 87 -13.513 12.598 -13.526 1.00 0.00 C ATOM 2842 C PHE B 87 -13.913 11.901 -12.226 1.00 0.00 C ATOM 2843 O PHE B 87 -15.055 11.534 -12.029 1.00 0.00 O ATOM 2844 CB PHE B 87 -12.579 11.684 -14.319 1.00 0.00 C ATOM 2845 CG PHE B 87 -13.319 10.429 -14.712 1.00 0.00 C ATOM 2846 CD1 PHE B 87 -13.327 9.325 -13.852 1.00 0.00 C ATOM 2847 CD2 PHE B 87 -13.996 10.370 -15.935 1.00 0.00 C ATOM 2848 CE1 PHE B 87 -14.013 8.161 -14.215 1.00 0.00 C ATOM 2849 CE2 PHE B 87 -14.682 9.206 -16.299 1.00 0.00 C ATOM 2850 CZ PHE B 87 -14.691 8.101 -15.439 1.00 0.00 C ATOM 0 H PHE B 87 -11.805 13.864 -13.395 1.00 0.00 H new ATOM 0 HA PHE B 87 -14.409 12.811 -14.108 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -12.217 12.199 -15.209 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -11.705 11.431 -13.719 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -12.804 9.372 -12.908 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -13.989 11.223 -16.598 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -14.020 7.309 -13.551 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -15.204 9.160 -17.243 1.00 0.00 H new ATOM 0 HZ PHE B 87 -15.221 7.203 -15.720 1.00 0.00 H new ATOM 2860 N PHE B 88 -12.973 11.710 -11.341 1.00 0.00 N ATOM 2861 CA PHE B 88 -13.274 11.030 -10.049 1.00 0.00 C ATOM 2862 C PHE B 88 -13.587 12.092 -8.994 1.00 0.00 C ATOM 2863 O PHE B 88 -12.838 12.298 -8.059 1.00 0.00 O ATOM 2864 CB PHE B 88 -12.049 10.195 -9.634 1.00 0.00 C ATOM 2865 CG PHE B 88 -12.134 9.779 -8.175 1.00 0.00 C ATOM 2866 CD1 PHE B 88 -13.304 9.194 -7.668 1.00 0.00 C ATOM 2867 CD2 PHE B 88 -11.030 9.971 -7.330 1.00 0.00 C ATOM 2868 CE1 PHE B 88 -13.368 8.806 -6.324 1.00 0.00 C ATOM 2869 CE2 PHE B 88 -11.097 9.583 -5.987 1.00 0.00 C ATOM 2870 CZ PHE B 88 -12.265 9.001 -5.485 1.00 0.00 C ATOM 0 H PHE B 88 -12.002 11.998 -11.459 1.00 0.00 H new ATOM 0 HA PHE B 88 -14.135 10.369 -10.150 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -11.980 9.308 -10.264 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -11.140 10.773 -9.797 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -14.156 9.043 -8.315 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -10.127 10.419 -7.717 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -14.269 8.356 -5.935 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -10.247 9.733 -5.338 1.00 0.00 H new ATOM 0 HZ PHE B 88 -12.316 8.702 -4.449 1.00 0.00 H new ATOM 3114 N ARG X 104 18.114 21.903 5.926 1.00 0.00 N ATOM 3115 CA ARG X 104 17.424 20.743 5.299 1.00 0.00 C ATOM 3116 C ARG X 104 16.706 21.205 4.029 1.00 0.00 C ATOM 3117 O ARG X 104 16.491 20.435 3.116 1.00 0.00 O ATOM 3118 CB ARG X 104 16.408 20.139 6.291 1.00 0.00 C ATOM 3119 CG ARG X 104 15.103 20.971 6.319 1.00 0.00 C ATOM 3120 CD ARG X 104 14.129 20.536 5.193 1.00 0.00 C ATOM 3121 NE ARG X 104 12.952 19.857 5.795 1.00 0.00 N ATOM 3122 CZ ARG X 104 11.869 19.684 5.087 1.00 0.00 C ATOM 3123 NH1 ARG X 104 11.813 20.122 3.860 1.00 0.00 N ATOM 3124 NH2 ARG X 104 10.840 19.073 5.605 1.00 0.00 N ATOM 0 HA ARG X 104 18.158 19.980 5.040 1.00 0.00 H new ATOM 0 HB2 ARG X 104 16.183 19.111 6.007 1.00 0.00 H new ATOM 0 HB3 ARG X 104 16.844 20.105 7.289 1.00 0.00 H new ATOM 0 HG2 ARG X 104 14.617 20.855 7.288 1.00 0.00 H new ATOM 0 HG3 ARG X 104 15.342 22.029 6.207 1.00 0.00 H new ATOM 0 HD2 ARG X 104 13.807 21.405 4.619 1.00 0.00 H new ATOM 0 HD3 ARG X 104 14.634 19.865 4.499 1.00 0.00 H new ATOM 0 HE ARG X 104 12.990 19.527 6.759 1.00 0.00 H new ATOM 0 HH11 ARG X 104 12.616 20.601 3.452 1.00 0.00 H new ATOM 0 HH12 ARG X 104 10.966 19.986 3.308 1.00 0.00 H new ATOM 0 HH21 ARG X 104 10.881 18.730 6.565 1.00 0.00 H new ATOM 0 HH22 ARG X 104 9.994 18.939 5.051 1.00 0.00 H new ATOM 3138 N HIS X 105 16.323 22.449 3.955 1.00 0.00 N ATOM 3139 CA HIS X 105 15.618 22.908 2.731 1.00 0.00 C ATOM 3140 C HIS X 105 16.550 22.696 1.540 1.00 0.00 C ATOM 3141 O HIS X 105 16.135 22.271 0.486 1.00 0.00 O ATOM 3142 CB HIS X 105 15.228 24.395 2.865 1.00 0.00 C ATOM 3143 CG HIS X 105 16.402 25.292 2.557 1.00 0.00 C ATOM 3144 ND1 HIS X 105 17.097 25.523 1.395 1.00 0.00 N flip ATOM 3145 CD2 HIS X 105 16.997 26.096 3.520 1.00 0.00 C flip ATOM 3146 CE1 HIS X 105 18.104 26.451 1.633 1.00 0.00 C flip ATOM 3147 NE2 HIS X 105 18.002 26.765 2.925 1.00 0.00 N flip ATOM 0 H HIS X 105 16.465 23.156 4.677 1.00 0.00 H new ATOM 0 HA HIS X 105 14.700 22.339 2.586 1.00 0.00 H new ATOM 0 HB2 HIS X 105 14.405 24.621 2.187 1.00 0.00 H new ATOM 0 HB3 HIS X 105 14.871 24.591 3.876 1.00 0.00 H new ATOM 0 HD2 HIS X 105 16.706 26.171 4.557 1.00 0.00 H new ATOM 0 HE1 HIS X 105 18.819 26.837 0.921 1.00 0.00 H new ATOM 0 HE2 HIS X 105 18.610 27.430 3.403 1.00 0.00 H new ATOM 3156 N LYS X 106 17.814 22.970 1.720 1.00 0.00 N ATOM 3157 CA LYS X 106 18.791 22.775 0.615 1.00 0.00 C ATOM 3158 C LYS X 106 18.788 21.305 0.196 1.00 0.00 C ATOM 3159 O LYS X 106 19.025 20.980 -0.950 1.00 0.00 O ATOM 3160 CB LYS X 106 20.198 23.183 1.085 1.00 0.00 C ATOM 3161 CG LYS X 106 21.229 23.001 -0.061 1.00 0.00 C ATOM 3162 CD LYS X 106 22.002 21.681 0.104 1.00 0.00 C ATOM 3163 CE LYS X 106 22.711 21.331 -1.208 1.00 0.00 C ATOM 3164 NZ LYS X 106 21.696 21.030 -2.257 1.00 0.00 N ATOM 0 H LYS X 106 18.212 23.322 2.591 1.00 0.00 H new ATOM 0 HA LYS X 106 18.510 23.396 -0.235 1.00 0.00 H new ATOM 0 HB2 LYS X 106 20.191 24.222 1.414 1.00 0.00 H new ATOM 0 HB3 LYS X 106 20.490 22.579 1.944 1.00 0.00 H new ATOM 0 HG2 LYS X 106 20.716 23.009 -1.023 1.00 0.00 H new ATOM 0 HG3 LYS X 106 21.927 23.838 -0.065 1.00 0.00 H new ATOM 0 HD2 LYS X 106 22.731 21.773 0.909 1.00 0.00 H new ATOM 0 HD3 LYS X 106 21.318 20.880 0.384 1.00 0.00 H new ATOM 0 HE2 LYS X 106 23.342 22.161 -1.525 1.00 0.00 H new ATOM 0 HE3 LYS X 106 23.365 20.471 -1.062 1.00 0.00 H new ATOM 0 HZ1 LYS X 106 21.921 20.120 -2.707 1.00 0.00 H new ATOM 0 HZ2 LYS X 106 20.753 20.978 -1.822 1.00 0.00 H new ATOM 0 HZ3 LYS X 106 21.705 21.782 -2.975 1.00 0.00 H new ATOM 3178 N LYS X 107 18.535 20.409 1.114 1.00 0.00 N ATOM 3179 CA LYS X 107 18.538 18.963 0.747 1.00 0.00 C ATOM 3180 C LYS X 107 17.479 18.717 -0.332 1.00 0.00 C ATOM 3181 O LYS X 107 17.705 17.972 -1.262 1.00 0.00 O ATOM 3182 CB LYS X 107 18.226 18.109 1.981 1.00 0.00 C ATOM 3183 CG LYS X 107 18.241 16.623 1.596 1.00 0.00 C ATOM 3184 CD LYS X 107 18.304 15.743 2.856 1.00 0.00 C ATOM 3185 CE LYS X 107 16.955 15.757 3.583 1.00 0.00 C ATOM 3186 NZ LYS X 107 15.889 15.264 2.666 1.00 0.00 N ATOM 0 H LYS X 107 18.329 20.613 2.092 1.00 0.00 H new ATOM 0 HA LYS X 107 19.522 18.687 0.367 1.00 0.00 H new ATOM 0 HB2 LYS X 107 18.961 18.300 2.763 1.00 0.00 H new ATOM 0 HB3 LYS X 107 17.251 18.380 2.386 1.00 0.00 H new ATOM 0 HG2 LYS X 107 17.348 16.381 1.020 1.00 0.00 H new ATOM 0 HG3 LYS X 107 19.099 16.415 0.956 1.00 0.00 H new ATOM 0 HD2 LYS X 107 18.566 14.721 2.581 1.00 0.00 H new ATOM 0 HD3 LYS X 107 19.087 16.105 3.522 1.00 0.00 H new ATOM 0 HE2 LYS X 107 17.003 15.129 4.472 1.00 0.00 H new ATOM 0 HE3 LYS X 107 16.722 16.767 3.919 1.00 0.00 H new ATOM 0 HZ1 LYS X 107 15.281 14.589 3.172 1.00 0.00 H new ATOM 0 HZ2 LYS X 107 15.316 16.067 2.336 1.00 0.00 H new ATOM 0 HZ3 LYS X 107 16.325 14.791 1.849 1.00 0.00 H new ATOM 3200 N LEU X 108 16.333 19.342 -0.225 1.00 0.00 N ATOM 3201 CA LEU X 108 15.270 19.150 -1.263 1.00 0.00 C ATOM 3202 C LEU X 108 15.610 19.986 -2.509 1.00 0.00 C ATOM 3203 O LEU X 108 15.194 19.676 -3.605 1.00 0.00 O ATOM 3204 CB LEU X 108 13.889 19.558 -0.688 1.00 0.00 C ATOM 3205 CG LEU X 108 13.053 18.303 -0.354 1.00 0.00 C ATOM 3206 CD1 LEU X 108 11.950 18.661 0.645 1.00 0.00 C ATOM 3207 CD2 LEU X 108 12.404 17.745 -1.628 1.00 0.00 C ATOM 0 H LEU X 108 16.086 19.976 0.535 1.00 0.00 H new ATOM 0 HA LEU X 108 15.225 18.099 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU X 108 14.025 20.161 0.209 1.00 0.00 H new ATOM 0 HB3 LEU X 108 13.356 20.177 -1.410 1.00 0.00 H new ATOM 0 HG LEU X 108 13.715 17.553 0.079 1.00 0.00 H new ATOM 0 HD11 LEU X 108 11.365 17.771 0.875 1.00 0.00 H new ATOM 0 HD12 LEU X 108 12.399 19.047 1.560 1.00 0.00 H new ATOM 0 HD13 LEU X 108 11.299 19.421 0.212 1.00 0.00 H new ATOM 0 HD21 LEU X 108 11.817 16.860 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU X 108 11.753 18.501 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU X 108 13.181 17.476 -2.344 1.00 0.00 H new ATOM 3219 N MET X 109 16.366 21.033 -2.358 1.00 0.00 N ATOM 3220 CA MET X 109 16.722 21.866 -3.539 1.00 0.00 C ATOM 3221 C MET X 109 17.464 21.006 -4.566 1.00 0.00 C ATOM 3222 O MET X 109 17.482 21.314 -5.739 1.00 0.00 O ATOM 3223 CB MET X 109 17.607 23.044 -3.113 1.00 0.00 C ATOM 3224 CG MET X 109 16.795 24.025 -2.260 1.00 0.00 C ATOM 3225 SD MET X 109 15.464 24.763 -3.252 1.00 0.00 S ATOM 3226 CE MET X 109 14.069 24.291 -2.193 1.00 0.00 C ATOM 0 H MET X 109 16.754 21.349 -1.469 1.00 0.00 H new ATOM 0 HA MET X 109 15.808 22.259 -3.984 1.00 0.00 H new ATOM 0 HB2 MET X 109 18.464 22.680 -2.547 1.00 0.00 H new ATOM 0 HB3 MET X 109 17.999 23.553 -3.994 1.00 0.00 H new ATOM 0 HG2 MET X 109 16.373 23.507 -1.399 1.00 0.00 H new ATOM 0 HG3 MET X 109 17.447 24.808 -1.873 1.00 0.00 H new ATOM 0 HE1 MET X 109 13.140 24.655 -2.631 1.00 0.00 H new ATOM 0 HE2 MET X 109 14.028 23.205 -2.107 1.00 0.00 H new ATOM 0 HE3 MET X 109 14.199 24.729 -1.203 1.00 0.00 H new ATOM 3236 N PHE X 110 18.094 19.941 -4.140 1.00 0.00 N ATOM 3237 CA PHE X 110 18.848 19.080 -5.110 1.00 0.00 C ATOM 3238 C PHE X 110 17.999 18.877 -6.373 1.00 0.00 C ATOM 3239 O PHE X 110 18.481 18.981 -7.483 1.00 0.00 O ATOM 3240 CB PHE X 110 19.171 17.718 -4.453 1.00 0.00 C ATOM 3241 CG PHE X 110 18.014 16.745 -4.619 1.00 0.00 C ATOM 3242 CD1 PHE X 110 16.811 16.975 -3.950 1.00 0.00 C ATOM 3243 CD2 PHE X 110 18.151 15.616 -5.437 1.00 0.00 C ATOM 3244 CE1 PHE X 110 15.743 16.087 -4.093 1.00 0.00 C ATOM 3245 CE2 PHE X 110 17.080 14.724 -5.582 1.00 0.00 C ATOM 3246 CZ PHE X 110 15.875 14.962 -4.908 1.00 0.00 C ATOM 0 H PHE X 110 18.121 19.629 -3.169 1.00 0.00 H new ATOM 0 HA PHE X 110 19.784 19.566 -5.385 1.00 0.00 H new ATOM 0 HB2 PHE X 110 20.071 17.298 -4.902 1.00 0.00 H new ATOM 0 HB3 PHE X 110 19.381 17.862 -3.393 1.00 0.00 H new ATOM 0 HD1 PHE X 110 16.706 17.845 -3.318 1.00 0.00 H new ATOM 0 HD2 PHE X 110 19.081 15.433 -5.955 1.00 0.00 H new ATOM 0 HE1 PHE X 110 14.815 16.271 -3.573 1.00 0.00 H new ATOM 0 HE2 PHE X 110 17.183 13.854 -6.213 1.00 0.00 H new ATOM 0 HZ PHE X 110 15.049 14.275 -5.019 1.00 0.00 H new ATOM 3256 N LYS X 111 16.734 18.609 -6.203 1.00 0.00 N ATOM 3257 CA LYS X 111 15.849 18.423 -7.385 1.00 0.00 C ATOM 3258 C LYS X 111 15.686 19.772 -8.104 1.00 0.00 C ATOM 3259 O LYS X 111 15.544 19.833 -9.305 1.00 0.00 O ATOM 3260 CB LYS X 111 14.477 17.932 -6.898 1.00 0.00 C ATOM 3261 CG LYS X 111 13.728 19.100 -6.235 1.00 0.00 C ATOM 3262 CD LYS X 111 12.731 18.601 -5.198 1.00 0.00 C ATOM 3263 CE LYS X 111 12.099 19.817 -4.506 1.00 0.00 C ATOM 3264 NZ LYS X 111 10.735 19.464 -4.020 1.00 0.00 N ATOM 0 H LYS X 111 16.276 18.511 -5.297 1.00 0.00 H new ATOM 0 HA LYS X 111 16.280 17.694 -8.071 1.00 0.00 H new ATOM 0 HB2 LYS X 111 13.899 17.542 -7.736 1.00 0.00 H new ATOM 0 HB3 LYS X 111 14.601 17.114 -6.188 1.00 0.00 H new ATOM 0 HG2 LYS X 111 14.444 19.771 -5.761 1.00 0.00 H new ATOM 0 HG3 LYS X 111 13.205 19.678 -6.997 1.00 0.00 H new ATOM 0 HD2 LYS X 111 11.961 17.994 -5.674 1.00 0.00 H new ATOM 0 HD3 LYS X 111 13.231 17.966 -4.466 1.00 0.00 H new ATOM 0 HE2 LYS X 111 12.722 20.137 -3.671 1.00 0.00 H new ATOM 0 HE3 LYS X 111 12.043 20.655 -5.201 1.00 0.00 H new ATOM 0 HZ1 LYS X 111 10.034 20.086 -4.471 1.00 0.00 H new ATOM 0 HZ2 LYS X 111 10.526 18.474 -4.262 1.00 0.00 H new ATOM 0 HZ3 LYS X 111 10.692 19.585 -2.988 1.00 0.00 H new ATOM 3278 N THR X 112 15.677 20.850 -7.355 1.00 0.00 N ATOM 3279 CA THR X 112 15.499 22.205 -7.961 1.00 0.00 C ATOM 3280 C THR X 112 16.640 22.475 -8.943 1.00 0.00 C ATOM 3281 O THR X 112 16.442 23.033 -10.004 1.00 0.00 O ATOM 3282 CB THR X 112 15.488 23.266 -6.852 1.00 0.00 C ATOM 3283 OG1 THR X 112 14.433 22.979 -5.945 1.00 0.00 O ATOM 3284 CG2 THR X 112 15.258 24.649 -7.457 1.00 0.00 C ATOM 0 H THR X 112 15.787 20.847 -6.341 1.00 0.00 H new ATOM 0 HA THR X 112 14.551 22.248 -8.498 1.00 0.00 H new ATOM 0 HB THR X 112 16.446 23.253 -6.333 1.00 0.00 H new ATOM 0 HG1 THR X 112 14.530 23.536 -5.144 1.00 0.00 H new ATOM 0 HG21 THR X 112 15.251 25.397 -6.664 1.00 0.00 H new ATOM 0 HG22 THR X 112 16.058 24.875 -8.162 1.00 0.00 H new ATOM 0 HG23 THR X 112 14.300 24.664 -7.977 1.00 0.00 H new ATOM 3292 N GLU X 113 17.834 22.082 -8.594 1.00 0.00 N ATOM 3293 CA GLU X 113 19.000 22.304 -9.498 1.00 0.00 C ATOM 3294 CB GLU X 113 18.699 21.753 -10.913 1.00 0.00 C ATOM 3295 CG GLU X 113 17.727 20.550 -10.839 1.00 0.00 C ATOM 3296 CD GLU X 113 18.031 19.557 -11.968 1.00 0.00 C ATOM 3297 OE1 GLU X 113 18.909 18.729 -11.783 1.00 0.00 O ATOM 3298 OE2 GLU X 113 17.381 19.643 -12.997 1.00 0.00 O ATOM 0 H GLU X 113 18.054 21.613 -7.715 1.00 0.00 H new ATOM 0 HB2 GLU X 113 18.265 22.540 -11.530 1.00 0.00 H new ATOM 0 HB3 GLU X 113 19.628 21.447 -11.394 1.00 0.00 H new ATOM 0 HG2 GLU X 113 17.822 20.054 -9.873 1.00 0.00 H new ATOM 0 HG3 GLU X 113 16.697 20.899 -10.918 1.00 0.00 H new ATOM 3493 N ARG Y 104 -8.184 15.206 -30.151 1.00 0.00 N ATOM 3494 CA ARG Y 104 -8.142 14.729 -28.742 1.00 0.00 C ATOM 3495 C ARG Y 104 -6.983 15.410 -28.009 1.00 0.00 C ATOM 3496 O ARG Y 104 -7.014 15.571 -26.806 1.00 0.00 O ATOM 3497 CB ARG Y 104 -7.959 13.198 -28.714 1.00 0.00 C ATOM 3498 CG ARG Y 104 -6.478 12.817 -28.951 1.00 0.00 C ATOM 3499 CD ARG Y 104 -5.667 12.848 -27.628 1.00 0.00 C ATOM 3500 NE ARG Y 104 -5.304 11.460 -27.244 1.00 0.00 N ATOM 3501 CZ ARG Y 104 -4.386 11.253 -26.341 1.00 0.00 C ATOM 3502 NH1 ARG Y 104 -3.765 12.263 -25.794 1.00 0.00 N ATOM 3503 NH2 ARG Y 104 -4.086 10.034 -25.989 1.00 0.00 N ATOM 0 HA ARG Y 104 -9.079 14.980 -28.245 1.00 0.00 H new ATOM 0 HB2 ARG Y 104 -8.291 12.805 -27.753 1.00 0.00 H new ATOM 0 HB3 ARG Y 104 -8.584 12.738 -29.479 1.00 0.00 H new ATOM 0 HG2 ARG Y 104 -6.423 11.821 -29.390 1.00 0.00 H new ATOM 0 HG3 ARG Y 104 -6.033 13.507 -29.668 1.00 0.00 H new ATOM 0 HD2 ARG Y 104 -4.767 13.450 -27.753 1.00 0.00 H new ATOM 0 HD3 ARG Y 104 -6.255 13.314 -26.838 1.00 0.00 H new ATOM 0 HE ARG Y 104 -5.772 10.669 -27.686 1.00 0.00 H new ATOM 0 HH11 ARG Y 104 -3.998 13.216 -26.073 1.00 0.00 H new ATOM 0 HH12 ARG Y 104 -3.047 12.099 -25.088 1.00 0.00 H new ATOM 0 HH21 ARG Y 104 -4.569 9.245 -26.420 1.00 0.00 H new ATOM 0 HH22 ARG Y 104 -3.368 9.869 -25.283 1.00 0.00 H new ATOM 3517 N HIS Y 105 -5.957 15.807 -28.710 1.00 0.00 N ATOM 3518 CA HIS Y 105 -4.824 16.462 -28.009 1.00 0.00 C ATOM 3519 C HIS Y 105 -5.359 17.714 -27.317 1.00 0.00 C ATOM 3520 O HIS Y 105 -4.999 18.017 -26.201 1.00 0.00 O ATOM 3521 CB HIS Y 105 -3.708 16.822 -29.010 1.00 0.00 C ATOM 3522 CG HIS Y 105 -4.035 18.100 -29.744 1.00 0.00 C ATOM 3523 ND1 HIS Y 105 -4.137 19.401 -29.316 1.00 0.00 N flip ATOM 3524 CD2 HIS Y 105 -4.302 18.128 -31.105 1.00 0.00 C flip ATOM 3525 CE1 HIS Y 105 -4.462 20.219 -30.391 1.00 0.00 C flip ATOM 3526 NE2 HIS Y 105 -4.550 19.406 -31.445 1.00 0.00 N flip ATOM 0 H HIS Y 105 -5.856 15.708 -29.720 1.00 0.00 H new ATOM 0 HA HIS Y 105 -4.393 15.786 -27.271 1.00 0.00 H new ATOM 0 HB2 HIS Y 105 -2.762 16.934 -28.481 1.00 0.00 H new ATOM 0 HB3 HIS Y 105 -3.580 16.010 -29.725 1.00 0.00 H new ATOM 0 HD1 HIS Y 105 -3.996 19.718 -28.357 1.00 0.00 H new ATOM 0 HD2 HIS Y 105 -4.309 17.278 -31.771 1.00 0.00 H new ATOM 0 HE1 HIS Y 105 -4.612 21.288 -30.376 1.00 0.00 H new ATOM 3535 N LYS Y 106 -6.236 18.425 -27.973 1.00 0.00 N ATOM 3536 CA LYS Y 106 -6.819 19.653 -27.365 1.00 0.00 C ATOM 3537 C LYS Y 106 -7.542 19.277 -26.072 1.00 0.00 C ATOM 3538 O LYS Y 106 -7.610 20.057 -25.143 1.00 0.00 O ATOM 3539 CB LYS Y 106 -7.811 20.298 -28.347 1.00 0.00 C ATOM 3540 CG LYS Y 106 -8.412 21.596 -27.744 1.00 0.00 C ATOM 3541 CD LYS Y 106 -9.807 21.328 -27.151 1.00 0.00 C ATOM 3542 CE LYS Y 106 -10.207 22.487 -26.235 1.00 0.00 C ATOM 3543 NZ LYS Y 106 -9.332 22.492 -25.028 1.00 0.00 N ATOM 0 H LYS Y 106 -6.575 18.206 -28.910 1.00 0.00 H new ATOM 0 HA LYS Y 106 -6.024 20.365 -27.145 1.00 0.00 H new ATOM 0 HB2 LYS Y 106 -7.305 20.527 -29.285 1.00 0.00 H new ATOM 0 HB3 LYS Y 106 -8.611 19.594 -28.579 1.00 0.00 H new ATOM 0 HG2 LYS Y 106 -7.750 21.982 -26.969 1.00 0.00 H new ATOM 0 HG3 LYS Y 106 -8.481 22.363 -28.516 1.00 0.00 H new ATOM 0 HD2 LYS Y 106 -10.538 21.215 -27.952 1.00 0.00 H new ATOM 0 HD3 LYS Y 106 -9.801 20.393 -26.590 1.00 0.00 H new ATOM 0 HE2 LYS Y 106 -10.115 23.434 -26.768 1.00 0.00 H new ATOM 0 HE3 LYS Y 106 -11.251 22.387 -25.940 1.00 0.00 H new ATOM 0 HZ1 LYS Y 106 -9.922 22.482 -24.172 1.00 0.00 H new ATOM 0 HZ2 LYS Y 106 -8.722 21.650 -25.038 1.00 0.00 H new ATOM 0 HZ3 LYS Y 106 -8.741 23.348 -25.031 1.00 0.00 H new ATOM 3557 N LYS Y 107 -8.096 18.096 -26.003 1.00 0.00 N ATOM 3558 CA LYS Y 107 -8.824 17.699 -24.763 1.00 0.00 C ATOM 3559 C LYS Y 107 -7.856 17.737 -23.576 1.00 0.00 C ATOM 3560 O LYS Y 107 -8.209 18.172 -22.501 1.00 0.00 O ATOM 3561 CB LYS Y 107 -9.388 16.282 -24.921 1.00 0.00 C ATOM 3562 CG LYS Y 107 -10.156 15.890 -23.650 1.00 0.00 C ATOM 3563 CD LYS Y 107 -11.036 14.658 -23.916 1.00 0.00 C ATOM 3564 CE LYS Y 107 -10.169 13.401 -24.033 1.00 0.00 C ATOM 3565 NZ LYS Y 107 -9.356 13.237 -22.795 1.00 0.00 N ATOM 0 H LYS Y 107 -8.077 17.395 -26.744 1.00 0.00 H new ATOM 0 HA LYS Y 107 -9.647 18.392 -24.588 1.00 0.00 H new ATOM 0 HB2 LYS Y 107 -10.049 16.237 -25.786 1.00 0.00 H new ATOM 0 HB3 LYS Y 107 -8.578 15.575 -25.102 1.00 0.00 H new ATOM 0 HG2 LYS Y 107 -9.454 15.676 -22.844 1.00 0.00 H new ATOM 0 HG3 LYS Y 107 -10.776 16.724 -23.320 1.00 0.00 H new ATOM 0 HD2 LYS Y 107 -11.757 14.537 -23.108 1.00 0.00 H new ATOM 0 HD3 LYS Y 107 -11.606 14.801 -24.834 1.00 0.00 H new ATOM 0 HE2 LYS Y 107 -10.800 12.525 -24.185 1.00 0.00 H new ATOM 0 HE3 LYS Y 107 -9.515 13.477 -24.902 1.00 0.00 H new ATOM 0 HZ1 LYS Y 107 -9.109 12.234 -22.672 1.00 0.00 H new ATOM 0 HZ2 LYS Y 107 -8.486 13.801 -22.874 1.00 0.00 H new ATOM 0 HZ3 LYS Y 107 -9.905 13.561 -21.974 1.00 0.00 H new ATOM 3579 N LEU Y 108 -6.637 17.298 -23.764 1.00 0.00 N ATOM 3580 CA LEU Y 108 -5.644 17.329 -22.643 1.00 0.00 C ATOM 3581 C LEU Y 108 -5.103 18.760 -22.473 1.00 0.00 C ATOM 3582 O LEU Y 108 -4.666 19.143 -21.409 1.00 0.00 O ATOM 3583 CB LEU Y 108 -4.488 16.337 -22.935 1.00 0.00 C ATOM 3584 CG LEU Y 108 -4.632 15.070 -22.063 1.00 0.00 C ATOM 3585 CD1 LEU Y 108 -3.828 13.916 -22.670 1.00 0.00 C ATOM 3586 CD2 LEU Y 108 -4.109 15.341 -20.646 1.00 0.00 C ATOM 0 H LEU Y 108 -6.285 16.920 -24.643 1.00 0.00 H new ATOM 0 HA LEU Y 108 -6.131 17.027 -21.716 1.00 0.00 H new ATOM 0 HB2 LEU Y 108 -4.494 16.063 -23.990 1.00 0.00 H new ATOM 0 HB3 LEU Y 108 -3.530 16.817 -22.735 1.00 0.00 H new ATOM 0 HG LEU Y 108 -5.688 14.802 -22.022 1.00 0.00 H new ATOM 0 HD11 LEU Y 108 -3.937 13.029 -22.046 1.00 0.00 H new ATOM 0 HD12 LEU Y 108 -4.198 13.703 -23.673 1.00 0.00 H new ATOM 0 HD13 LEU Y 108 -2.775 14.194 -22.723 1.00 0.00 H new ATOM 0 HD21 LEU Y 108 -4.216 14.441 -20.040 1.00 0.00 H new ATOM 0 HD22 LEU Y 108 -3.057 15.624 -20.694 1.00 0.00 H new ATOM 0 HD23 LEU Y 108 -4.682 16.151 -20.195 1.00 0.00 H new ATOM 3598 N MET Y 109 -5.137 19.553 -23.502 1.00 0.00 N ATOM 3599 CA MET Y 109 -4.630 20.947 -23.380 1.00 0.00 C ATOM 3600 C MET Y 109 -5.426 21.688 -22.302 1.00 0.00 C ATOM 3601 O MET Y 109 -4.957 22.650 -21.732 1.00 0.00 O ATOM 3602 CB MET Y 109 -4.763 21.681 -24.720 1.00 0.00 C ATOM 3603 CG MET Y 109 -3.790 21.083 -25.744 1.00 0.00 C ATOM 3604 SD MET Y 109 -2.075 21.349 -25.210 1.00 0.00 S ATOM 3605 CE MET Y 109 -1.527 19.618 -25.236 1.00 0.00 C ATOM 0 H MET Y 109 -5.493 19.298 -24.423 1.00 0.00 H new ATOM 0 HA MET Y 109 -3.577 20.918 -23.100 1.00 0.00 H new ATOM 0 HB2 MET Y 109 -5.786 21.601 -25.088 1.00 0.00 H new ATOM 0 HB3 MET Y 109 -4.555 22.742 -24.585 1.00 0.00 H new ATOM 0 HG2 MET Y 109 -3.982 20.016 -25.858 1.00 0.00 H new ATOM 0 HG3 MET Y 109 -3.950 21.542 -26.720 1.00 0.00 H new ATOM 0 HE1 MET Y 109 -0.481 19.563 -24.934 1.00 0.00 H new ATOM 0 HE2 MET Y 109 -2.135 19.033 -24.546 1.00 0.00 H new ATOM 0 HE3 MET Y 109 -1.635 19.217 -26.244 1.00 0.00 H new ATOM 3615 N PHE Y 110 -6.634 21.267 -22.026 1.00 0.00 N ATOM 3616 CA PHE Y 110 -7.454 21.976 -20.990 1.00 0.00 C ATOM 3617 C PHE Y 110 -6.574 22.279 -19.768 1.00 0.00 C ATOM 3618 O PHE Y 110 -6.593 23.368 -19.229 1.00 0.00 O ATOM 3619 CB PHE Y 110 -8.659 21.095 -20.583 1.00 0.00 C ATOM 3620 CG PHE Y 110 -8.268 20.114 -19.489 1.00 0.00 C ATOM 3621 CD1 PHE Y 110 -7.365 19.088 -19.767 1.00 0.00 C ATOM 3622 CD2 PHE Y 110 -8.806 20.239 -18.201 1.00 0.00 C ATOM 3623 CE1 PHE Y 110 -6.993 18.187 -18.768 1.00 0.00 C ATOM 3624 CE2 PHE Y 110 -8.435 19.334 -17.199 1.00 0.00 C ATOM 3625 CZ PHE Y 110 -7.526 18.309 -17.485 1.00 0.00 C ATOM 0 H PHE Y 110 -7.088 20.468 -22.469 1.00 0.00 H new ATOM 0 HA PHE Y 110 -7.832 22.913 -21.398 1.00 0.00 H new ATOM 0 HB2 PHE Y 110 -9.476 21.727 -20.235 1.00 0.00 H new ATOM 0 HB3 PHE Y 110 -9.026 20.549 -21.452 1.00 0.00 H new ATOM 0 HD1 PHE Y 110 -6.952 18.990 -20.760 1.00 0.00 H new ATOM 0 HD2 PHE Y 110 -9.506 21.032 -17.982 1.00 0.00 H new ATOM 0 HE1 PHE Y 110 -6.292 17.395 -18.989 1.00 0.00 H new ATOM 0 HE2 PHE Y 110 -8.850 19.427 -16.206 1.00 0.00 H new ATOM 0 HZ PHE Y 110 -7.237 17.612 -16.712 1.00 0.00 H new ATOM 3635 N LYS Y 111 -5.788 21.327 -19.348 1.00 0.00 N ATOM 3636 CA LYS Y 111 -4.891 21.564 -18.182 1.00 0.00 C ATOM 3637 C LYS Y 111 -3.809 22.580 -18.585 1.00 0.00 C ATOM 3638 O LYS Y 111 -3.354 23.365 -17.784 1.00 0.00 O ATOM 3639 CB LYS Y 111 -4.229 20.234 -17.793 1.00 0.00 C ATOM 3640 CG LYS Y 111 -3.159 19.876 -18.839 1.00 0.00 C ATOM 3641 CD LYS Y 111 -2.938 18.372 -18.917 1.00 0.00 C ATOM 3642 CE LYS Y 111 -1.927 18.090 -20.039 1.00 0.00 C ATOM 3643 NZ LYS Y 111 -1.209 16.813 -19.758 1.00 0.00 N ATOM 0 H LYS Y 111 -5.728 20.396 -19.761 1.00 0.00 H new ATOM 0 HA LYS Y 111 -5.460 21.953 -17.337 1.00 0.00 H new ATOM 0 HB2 LYS Y 111 -3.776 20.315 -16.805 1.00 0.00 H new ATOM 0 HB3 LYS Y 111 -4.978 19.444 -17.736 1.00 0.00 H new ATOM 0 HG2 LYS Y 111 -3.463 20.251 -19.816 1.00 0.00 H new ATOM 0 HG3 LYS Y 111 -2.221 20.370 -18.586 1.00 0.00 H new ATOM 0 HD2 LYS Y 111 -2.565 17.993 -17.966 1.00 0.00 H new ATOM 0 HD3 LYS Y 111 -3.879 17.860 -19.117 1.00 0.00 H new ATOM 0 HE2 LYS Y 111 -2.441 18.026 -20.998 1.00 0.00 H new ATOM 0 HE3 LYS Y 111 -1.214 18.911 -20.114 1.00 0.00 H new ATOM 0 HZ1 LYS Y 111 -0.189 16.999 -19.677 1.00 0.00 H new ATOM 0 HZ2 LYS Y 111 -1.559 16.407 -18.867 1.00 0.00 H new ATOM 0 HZ3 LYS Y 111 -1.378 16.142 -20.534 1.00 0.00 H new ATOM 3657 N THR Y 112 -3.379 22.536 -19.825 1.00 0.00 N ATOM 3658 CA THR Y 112 -2.313 23.469 -20.303 1.00 0.00 C ATOM 3659 C THR Y 112 -2.789 24.915 -20.142 1.00 0.00 C ATOM 3660 O THR Y 112 -2.037 25.790 -19.763 1.00 0.00 O ATOM 3661 CB THR Y 112 -1.992 23.170 -21.774 1.00 0.00 C ATOM 3662 OG1 THR Y 112 -1.563 21.821 -21.892 1.00 0.00 O ATOM 3663 CG2 THR Y 112 -0.874 24.089 -22.262 1.00 0.00 C ATOM 0 H THR Y 112 -3.726 21.887 -20.531 1.00 0.00 H new ATOM 0 HA THR Y 112 -1.409 23.329 -19.711 1.00 0.00 H new ATOM 0 HB THR Y 112 -2.885 23.336 -22.376 1.00 0.00 H new ATOM 0 HG1 THR Y 112 -1.549 21.564 -22.838 1.00 0.00 H new ATOM 0 HG21 THR Y 112 -0.653 23.870 -23.307 1.00 0.00 H new ATOM 0 HG22 THR Y 112 -1.190 25.128 -22.168 1.00 0.00 H new ATOM 0 HG23 THR Y 112 0.020 23.926 -21.660 1.00 0.00 H new ATOM 3671 N GLU Y 113 -4.037 25.169 -20.428 1.00 0.00 N ATOM 3672 CA GLU Y 113 -4.583 26.553 -20.295 1.00 0.00 C ATOM 3673 CB GLU Y 113 -4.289 27.115 -18.884 1.00 0.00 C ATOM 3674 CG GLU Y 113 -4.235 25.974 -17.840 1.00 0.00 C ATOM 3675 CD GLU Y 113 -4.741 26.476 -16.482 1.00 0.00 C ATOM 3676 OE1 GLU Y 113 -5.944 26.464 -16.278 1.00 0.00 O ATOM 3677 OE2 GLU Y 113 -3.915 26.862 -15.671 1.00 0.00 O ATOM 0 H GLU Y 113 -4.708 24.472 -20.751 1.00 0.00 H new ATOM 0 HB2 GLU Y 113 -3.341 27.652 -18.892 1.00 0.00 H new ATOM 0 HB3 GLU Y 113 -5.060 27.833 -18.605 1.00 0.00 H new ATOM 0 HG2 GLU Y 113 -4.844 25.135 -18.176 1.00 0.00 H new ATOM 0 HG3 GLU Y 113 -3.213 25.608 -17.743 1.00 0.00 H new