USER MOD reduce.3.24.130724 H: found=0, std=0, add=1721, rem=0, adj=67 USER MOD reduce.3.24.130724 removed 1727 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 16 HIS :FLIP no HE2:sc= -5.17! C(o=-2.9!,f=-2.6!) USER MOD Set 1.2: B 90 THR OG1 : rot -93:sc= 0.592 USER MOD Set 1.3: B 108 CYS SG : rot -31:sc= 0.742 USER MOD Set 1.4: B 110 ASN :FLIP amide:sc= 1.2 F(o=-3.6,f=-2.6) USER MOD Set 2.1: B 73 SER OG : rot 180:sc= 0.726 USER MOD Set 2.2: B 91 SER OG : rot -82:sc= 0.809 USER MOD Set 3.1: A 65 GLN : amide:sc= 0.0112 X(o=-0.48,f=-0.5) USER MOD Set 3.2: A 88 THR OG1 : rot 180:sc= -0.128 USER MOD Set 3.3: B 70 GLN : amide:sc= -0.362 K(o=-0.48,f=-3.8!) USER MOD Set 4.1: A 86 GLN : amide:sc= 0.834 K(o=1.4,f=-0.57) USER MOD Set 4.2: A 106 TYR OH : rot 30:sc= 0.53 USER MOD Set 5.1: A 56 SER OG : rot 136:sc= 0.569 USER MOD Set 5.2: A 68 SER OG : rot -170:sc= 0.508 USER MOD Set 6.1: A 10 SER OG : rot 125:sc= 0.0543 USER MOD Set 6.2: A 12 HIS : no HE2:sc= 1.48 K(o=5.3,f=-2.2!) USER MOD Set 6.3: A 16 MET CE :methyl -175:sc= 0 (180deg=0) USER MOD Set 6.4: A 45 TYR OH : rot 180:sc=-0.00233 USER MOD Set 6.5: A 71 TYR OH : rot -127:sc= 1.19 USER MOD Set 6.6: A 85 THR OG1 : rot -97:sc= 2.36 USER MOD Set 6.7: A 103 CYS SG : rot 170:sc= -0.929 USER MOD Set 6.8: A 105 ASN : amide:sc= 1.11 K(o=5.3,f=1.9) USER MOD Set 7.1: A 42 TYR OH : rot 41:sc= 0.0903 USER MOD Set 7.2: A 57 HIS : no HD1:sc= 0.0434 X(o=0.99,f=0.67) USER MOD Set 7.3: A 61 CYS SG : rot 75:sc= 0.856 USER MOD Set 8.1: A 20 TYR OH : rot 46:sc= 0.476 USER MOD Set 8.2: B 27 HIS :FLIP no HD1:sc= 0.426 F(o=0,f=0.9) USER MOD Set 9.1: A 13 SER OG : rot 180:sc= 0.62 USER MOD Set 9.2: A 19 THR OG1 : rot 178:sc= 0.935 USER MOD Set10.1: A 7 THR OG1 : rot 105:sc= 1.06 USER MOD Set10.2: B 97 ASN : amide:sc= 1.39 K(o=2.4,f=0.19) USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= 1.26 (180deg=0.842) USER MOD Single : A 14 MET CE :methyl -175:sc= 0 (180deg=-0.054) USER MOD Single : A 17 LYS NZ :NH3+ -142:sc= 1.23 (180deg=0.678) USER MOD Single : A 21 CYS SG : rot 140:sc= -0.0339 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.152 X(o=-0.15,f=0.029) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0302 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -5.66! C(o=-7.7!,f=-5.7!) USER MOD Single : A 50 SER OG : rot 4:sc= 1.17 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 MET CE :methyl -119:sc= -0.262 (180deg=-1.36) USER MOD Single : A 54 THR OG1 : rot 77:sc= 1.18 USER MOD Single : A 55 LYS NZ :NH3+ 157:sc= 1.26 (180deg=1.11) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 59 ASN : amide:sc= -0.877 K(o=-0.88,f=-1.6) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 1.01 K(o=1,f=-0.58) USER MOD Single : A 73 MET CE :methyl 152:sc= -1.47 (180deg=-3.53!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 31:sc= 0.695 USER MOD Single : A 92 ASN : amide:sc= -0.966! C(o=-0.97!,f=-6.9!) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.946 K(o=-0.95,f=-1.6) USER MOD Single : A 99 GLN : amide:sc= -0.205! X(o=-0.21!,f=-0.31) USER MOD Single : A 100 CYS SG : rot 180:sc= -0.756 USER MOD Single : A 102 MET CE :methyl 167:sc= -0.0877 (180deg=-0.469) USER MOD Single : A 109 SER OG : rot 180:sc= 0.105 USER MOD Single : B 7 CYS SG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.5!) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : B 14 SER OG : rot 117:sc= 1.13 USER MOD Single : B 17 ASN : amide:sc= 1.6 K(o=1.6,f=-9.1!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 CYS SG : rot -77:sc= 1.31 USER MOD Single : B 32 THR OG1 : rot 71:sc= 0.875 USER MOD Single : B 35 TYR OH : rot -73:sc= 0.485 USER MOD Single : B 36 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.087) USER MOD Single : B 38 GLN : amide:sc= 0.816 K(o=0.82,f=-6.7!) USER MOD Single : B 43 LYS NZ :NH3+ 150:sc= 1.2 (180deg=-0.383!) USER MOD Single : B 44 ASN : amide:sc= -0.026 X(o=-0.026,f=-0.41) USER MOD Single : B 49 CYS SG : rot 71:sc= -0.915 USER MOD Single : B 50 HIS : no HE2:sc= 0.308 K(o=0.31,f=-5.4!) USER MOD Single : B 54 GLN : amide:sc= -1.9! C(o=-1.9!,f=-2.7!) USER MOD Single : B 55 GLN : amide:sc= -0.313 K(o=-0.31,f=-1.5) USER MOD Single : B 60 SER OG : rot 86:sc= 1.28 USER MOD Single : B 62 GLN : amide:sc= -0.456 X(o=-0.46,f=0) USER MOD Single : B 63 GLN : amide:sc= 0.819 K(o=0.82,f=-0.0094) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ -160:sc= 1.19 (180deg=1.05) USER MOD Single : B 75 MET CE :methyl 155:sc= -0.23 (180deg=-2.3) USER MOD Single : B 80 SER OG : rot 178:sc= -1.13! USER MOD Single : B 81 LYS NZ :NH3+ 162:sc= 1.24 (180deg=1.1) USER MOD Single : B 82 ASN : amide:sc= 0.0127 K(o=0.013,f=-0.52) USER MOD Single : B 83 GLN : amide:sc= 0.146 K(o=0.15,f=-4.4!) USER MOD Single : B 88 MET CE :methyl -117:sc= -0.278 (180deg=-2.71!) USER MOD Single : B 92 SER OG : rot -170:sc= 0.0104 USER MOD Single : B 94 THR OG1 : rot -132:sc= 1.1 USER MOD Single : B 96 GLN : amide:sc= -4.15! C(o=-4.1!,f=-12!) USER MOD Single : B 99 TYR OH : rot -131:sc= 0.931 USER MOD Single : B 100 SER OG : rot 180:sc= 0 USER MOD Single : B 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 109 THR OG1 : rot -130:sc= 0.351 USER MOD Single : B 111 THR OG1 : rot -2:sc= 1.25 USER MOD Single : B 112 ASN : amide:sc= -0.493! X(o=-0.49!,f=-0.13) USER MOD Single : B 114 LYS NZ :NH3+ 130:sc= 1.14 (180deg=-0.0289) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -11.075 11.856 4.272 1.00 0.00 N ATOM 2 CA LYS A 6 -9.683 11.357 4.293 1.00 0.00 C ATOM 3 C LYS A 6 -9.517 10.179 3.347 1.00 0.00 C ATOM 4 O LYS A 6 -10.464 9.441 3.084 1.00 0.00 O ATOM 5 CB LYS A 6 -9.292 10.903 5.700 1.00 0.00 C ATOM 6 CG LYS A 6 -9.278 12.007 6.740 1.00 0.00 C ATOM 7 CD LYS A 6 -8.827 11.470 8.088 1.00 0.00 C ATOM 8 CE LYS A 6 -8.815 12.551 9.152 1.00 0.00 C ATOM 9 NZ LYS A 6 -8.362 12.027 10.468 1.00 0.00 N ATOM 0 HA LYS A 6 -9.039 12.178 3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.986 10.127 6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.302 10.448 5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.610 12.807 6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.274 12.441 6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.491 10.663 8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.829 11.043 7.993 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.158 13.362 8.838 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.815 12.972 9.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.663 12.676 11.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.780 11.089 10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.325 11.949 10.472 1.00 0.00 H new ATOM 25 N THR A 7 -8.309 10.013 2.843 1.00 0.00 N ATOM 26 CA THR A 7 -7.996 8.915 1.949 1.00 0.00 C ATOM 27 C THR A 7 -7.309 7.811 2.744 1.00 0.00 C ATOM 28 O THR A 7 -6.424 8.094 3.559 1.00 0.00 O ATOM 29 CB THR A 7 -7.079 9.383 0.806 1.00 0.00 C ATOM 30 OG1 THR A 7 -7.375 10.746 0.478 1.00 0.00 O ATOM 31 CG2 THR A 7 -7.255 8.513 -0.429 1.00 0.00 C ATOM 0 H THR A 7 -7.522 10.631 3.040 1.00 0.00 H new ATOM 0 HA THR A 7 -8.920 8.540 1.510 1.00 0.00 H new ATOM 0 HB THR A 7 -6.045 9.299 1.141 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.672 11.328 0.835 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.595 8.867 -1.221 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.007 7.480 -0.185 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.289 8.568 -0.768 1.00 0.00 H new ATOM 39 N PHE A 8 -7.716 6.566 2.535 1.00 0.00 N ATOM 40 CA PHE A 8 -7.122 5.457 3.269 1.00 0.00 C ATOM 41 C PHE A 8 -6.780 4.286 2.349 1.00 0.00 C ATOM 42 O PHE A 8 -7.405 4.095 1.298 1.00 0.00 O ATOM 43 CB PHE A 8 -8.056 5.002 4.402 1.00 0.00 C ATOM 44 CG PHE A 8 -9.262 4.216 3.955 1.00 0.00 C ATOM 45 CD1 PHE A 8 -10.378 4.857 3.444 1.00 0.00 C ATOM 46 CD2 PHE A 8 -9.279 2.835 4.062 1.00 0.00 C ATOM 47 CE1 PHE A 8 -11.486 4.134 3.045 1.00 0.00 C ATOM 48 CE2 PHE A 8 -10.384 2.108 3.665 1.00 0.00 C ATOM 49 CZ PHE A 8 -11.490 2.759 3.155 1.00 0.00 C ATOM 0 H PHE A 8 -8.445 6.301 1.873 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.188 5.812 3.704 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.484 4.394 5.103 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.396 5.882 4.948 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -10.383 5.933 3.356 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.417 2.320 4.461 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.350 4.646 2.647 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.383 1.032 3.753 1.00 0.00 H new ATOM 0 HZ PHE A 8 -12.356 2.193 2.843 1.00 0.00 H new ATOM 59 N LEU A 9 -5.779 3.516 2.752 1.00 0.00 N ATOM 60 CA LEU A 9 -5.334 2.358 1.991 1.00 0.00 C ATOM 61 C LEU A 9 -5.954 1.083 2.552 1.00 0.00 C ATOM 62 O LEU A 9 -6.779 1.131 3.459 1.00 0.00 O ATOM 63 CB LEU A 9 -3.804 2.252 2.038 1.00 0.00 C ATOM 64 CG LEU A 9 -3.079 2.560 0.724 1.00 0.00 C ATOM 65 CD1 LEU A 9 -3.325 1.461 -0.297 1.00 0.00 C ATOM 66 CD2 LEU A 9 -3.515 3.909 0.177 1.00 0.00 C ATOM 0 H LEU A 9 -5.255 3.676 3.612 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.654 2.481 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.434 2.933 2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.537 1.243 2.352 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.009 2.602 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.801 1.700 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.957 0.512 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.394 1.381 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.989 4.110 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.589 3.897 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.279 4.689 0.901 1.00 0.00 H new ATOM 78 N SER A 10 -5.564 -0.055 1.996 1.00 0.00 N ATOM 79 CA SER A 10 -6.062 -1.340 2.455 1.00 0.00 C ATOM 80 C SER A 10 -5.306 -2.477 1.778 1.00 0.00 C ATOM 81 O SER A 10 -5.198 -2.519 0.550 1.00 0.00 O ATOM 82 CB SER A 10 -7.570 -1.467 2.189 1.00 0.00 C ATOM 83 OG SER A 10 -7.907 -1.059 0.871 1.00 0.00 O ATOM 0 H SER A 10 -4.901 -0.112 1.223 1.00 0.00 H new ATOM 0 HA SER A 10 -5.898 -1.404 3.531 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.880 -2.501 2.341 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.119 -0.860 2.909 1.00 0.00 H new ATOM 0 HG SER A 10 -8.392 -1.781 0.419 1.00 0.00 H new ATOM 89 N ARG A 11 -4.758 -3.378 2.580 1.00 0.00 N ATOM 90 CA ARG A 11 -4.027 -4.522 2.057 1.00 0.00 C ATOM 91 C ARG A 11 -4.965 -5.712 1.949 1.00 0.00 C ATOM 92 O ARG A 11 -5.527 -6.159 2.947 1.00 0.00 O ATOM 93 CB ARG A 11 -2.833 -4.860 2.959 1.00 0.00 C ATOM 94 CG ARG A 11 -2.079 -6.114 2.534 1.00 0.00 C ATOM 95 CD ARG A 11 -0.572 -5.930 2.647 1.00 0.00 C ATOM 96 NE ARG A 11 -0.047 -6.293 3.965 1.00 0.00 N ATOM 97 CZ ARG A 11 0.968 -5.657 4.556 1.00 0.00 C ATOM 98 NH1 ARG A 11 1.526 -4.607 3.971 1.00 0.00 N ATOM 99 NH2 ARG A 11 1.431 -6.068 5.732 1.00 0.00 N ATOM 0 H ARG A 11 -4.806 -3.338 3.598 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.641 -4.277 1.068 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.143 -4.016 2.964 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.187 -4.989 3.982 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.391 -6.954 3.155 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.339 -6.364 1.505 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.080 -6.536 1.887 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.322 -4.890 2.437 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.480 -7.074 4.458 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.180 -4.283 3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.301 -4.123 4.424 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.011 -6.876 6.191 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.207 -5.576 6.175 1.00 0.00 H new ATOM 113 N HIS A 12 -5.163 -6.195 0.733 1.00 0.00 N ATOM 114 CA HIS A 12 -6.041 -7.334 0.497 1.00 0.00 C ATOM 115 C HIS A 12 -5.235 -8.518 -0.020 1.00 0.00 C ATOM 116 O HIS A 12 -4.168 -8.339 -0.608 1.00 0.00 O ATOM 117 CB HIS A 12 -7.140 -6.970 -0.509 1.00 0.00 C ATOM 118 CG HIS A 12 -7.977 -5.794 -0.100 1.00 0.00 C ATOM 119 ND1 HIS A 12 -9.228 -5.915 0.470 1.00 0.00 N ATOM 120 CD2 HIS A 12 -7.734 -4.465 -0.184 1.00 0.00 C ATOM 121 CE1 HIS A 12 -9.715 -4.714 0.716 1.00 0.00 C ATOM 122 NE2 HIS A 12 -8.829 -3.818 0.329 1.00 0.00 N ATOM 0 H HIS A 12 -4.728 -5.817 -0.108 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.511 -7.607 1.441 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -6.679 -6.757 -1.474 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.790 -7.834 -0.650 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -9.702 -6.796 0.670 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -6.843 -4.001 -0.581 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.677 -4.501 1.159 1.00 0.00 H new ATOM 131 N SER A 13 -5.727 -9.724 0.222 1.00 0.00 N ATOM 132 CA SER A 13 -5.051 -10.936 -0.229 1.00 0.00 C ATOM 133 C SER A 13 -6.054 -12.071 -0.418 1.00 0.00 C ATOM 134 O SER A 13 -7.128 -12.057 0.189 1.00 0.00 O ATOM 135 CB SER A 13 -3.977 -11.352 0.783 1.00 0.00 C ATOM 136 OG SER A 13 -3.189 -10.238 1.176 1.00 0.00 O ATOM 0 H SER A 13 -6.595 -9.892 0.730 1.00 0.00 H new ATOM 0 HA SER A 13 -4.575 -10.727 -1.187 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.450 -11.794 1.660 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.337 -12.118 0.345 1.00 0.00 H new ATOM 0 HG SER A 13 -2.512 -10.528 1.823 1.00 0.00 H new ATOM 142 N MET A 14 -5.703 -13.022 -1.286 1.00 0.00 N ATOM 143 CA MET A 14 -6.535 -14.194 -1.575 1.00 0.00 C ATOM 144 C MET A 14 -7.929 -13.798 -2.069 1.00 0.00 C ATOM 145 O MET A 14 -8.098 -13.404 -3.224 1.00 0.00 O ATOM 146 CB MET A 14 -6.644 -15.097 -0.338 1.00 0.00 C ATOM 147 CG MET A 14 -7.229 -16.471 -0.632 1.00 0.00 C ATOM 148 SD MET A 14 -7.784 -17.326 0.858 1.00 0.00 S ATOM 149 CE MET A 14 -6.234 -17.530 1.734 1.00 0.00 C ATOM 0 H MET A 14 -4.829 -13.001 -1.812 1.00 0.00 H new ATOM 0 HA MET A 14 -6.047 -14.748 -2.377 1.00 0.00 H new ATOM 0 HB2 MET A 14 -5.653 -15.220 0.099 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.263 -14.601 0.409 1.00 0.00 H new ATOM 0 HG2 MET A 14 -8.069 -16.364 -1.319 1.00 0.00 H new ATOM 0 HG3 MET A 14 -6.479 -17.080 -1.137 1.00 0.00 H new ATOM 0 HE1 MET A 14 -6.400 -18.122 2.634 1.00 0.00 H new ATOM 0 HE2 MET A 14 -5.517 -18.041 1.091 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.841 -16.552 2.010 1.00 0.00 H new ATOM 159 N ASP A 15 -8.914 -13.865 -1.178 1.00 0.00 N ATOM 160 CA ASP A 15 -10.295 -13.541 -1.516 1.00 0.00 C ATOM 161 C ASP A 15 -10.541 -12.041 -1.422 1.00 0.00 C ATOM 162 O ASP A 15 -11.688 -11.593 -1.399 1.00 0.00 O ATOM 163 CB ASP A 15 -11.253 -14.282 -0.580 1.00 0.00 C ATOM 164 CG ASP A 15 -11.195 -13.759 0.842 1.00 0.00 C ATOM 165 OD1 ASP A 15 -10.097 -13.764 1.436 1.00 0.00 O ATOM 166 OD2 ASP A 15 -12.247 -13.348 1.376 1.00 0.00 O ATOM 0 H ASP A 15 -8.778 -14.144 -0.206 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.476 -13.857 -2.543 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.271 -14.187 -0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.010 -15.345 -0.583 1.00 0.00 H new ATOM 171 N MET A 16 -9.449 -11.281 -1.366 1.00 0.00 N ATOM 172 CA MET A 16 -9.497 -9.823 -1.281 1.00 0.00 C ATOM 173 C MET A 16 -9.982 -9.380 0.099 1.00 0.00 C ATOM 174 O MET A 16 -10.534 -8.290 0.259 1.00 0.00 O ATOM 175 CB MET A 16 -10.383 -9.233 -2.393 1.00 0.00 C ATOM 176 CG MET A 16 -10.124 -7.761 -2.680 1.00 0.00 C ATOM 177 SD MET A 16 -11.019 -7.170 -4.129 1.00 0.00 S ATOM 178 CE MET A 16 -10.630 -5.421 -4.079 1.00 0.00 C ATOM 0 H MET A 16 -8.502 -11.661 -1.378 1.00 0.00 H new ATOM 0 HA MET A 16 -8.486 -9.441 -1.425 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.226 -9.803 -3.308 1.00 0.00 H new ATOM 0 HB3 MET A 16 -11.429 -9.359 -2.114 1.00 0.00 H new ATOM 0 HG2 MET A 16 -10.414 -7.169 -1.812 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.055 -7.606 -2.829 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.184 -4.903 -4.862 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.908 -5.014 -3.107 1.00 0.00 H new ATOM 0 HE3 MET A 16 -9.561 -5.281 -4.238 1.00 0.00 H new ATOM 188 N LYS A 17 -9.750 -10.223 1.101 1.00 0.00 N ATOM 189 CA LYS A 17 -10.145 -9.910 2.469 1.00 0.00 C ATOM 190 C LYS A 17 -9.245 -8.816 3.039 1.00 0.00 C ATOM 191 O LYS A 17 -8.317 -8.355 2.371 1.00 0.00 O ATOM 192 CB LYS A 17 -10.073 -11.157 3.357 1.00 0.00 C ATOM 193 CG LYS A 17 -8.657 -11.670 3.593 1.00 0.00 C ATOM 194 CD LYS A 17 -8.579 -12.544 4.837 1.00 0.00 C ATOM 195 CE LYS A 17 -8.683 -14.026 4.502 1.00 0.00 C ATOM 196 NZ LYS A 17 -10.024 -14.391 3.976 1.00 0.00 N ATOM 0 H LYS A 17 -9.291 -11.127 0.991 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.176 -9.556 2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.532 -10.932 4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.664 -11.950 2.900 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.327 -12.241 2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.976 -10.825 3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.638 -12.355 5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.381 -12.270 5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.923 -14.284 3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.473 -14.614 5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.299 -15.324 4.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.721 -13.681 4.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.992 -14.423 2.937 1.00 0.00 H new ATOM 210 N PHE A 18 -9.517 -8.402 4.265 1.00 0.00 N ATOM 211 CA PHE A 18 -8.724 -7.367 4.907 1.00 0.00 C ATOM 212 C PHE A 18 -7.513 -7.966 5.613 1.00 0.00 C ATOM 213 O PHE A 18 -7.611 -8.458 6.738 1.00 0.00 O ATOM 214 CB PHE A 18 -9.574 -6.569 5.897 1.00 0.00 C ATOM 215 CG PHE A 18 -10.494 -5.583 5.236 1.00 0.00 C ATOM 216 CD1 PHE A 18 -9.985 -4.458 4.606 1.00 0.00 C ATOM 217 CD2 PHE A 18 -11.865 -5.779 5.242 1.00 0.00 C ATOM 218 CE1 PHE A 18 -10.826 -3.548 3.995 1.00 0.00 C ATOM 219 CE2 PHE A 18 -12.712 -4.873 4.633 1.00 0.00 C ATOM 220 CZ PHE A 18 -12.191 -3.756 4.009 1.00 0.00 C ATOM 0 H PHE A 18 -10.280 -8.766 4.835 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.368 -6.690 4.131 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -10.166 -7.261 6.496 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -8.915 -6.036 6.583 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -8.918 -4.291 4.593 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -12.277 -6.651 5.729 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -10.417 -2.676 3.507 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.779 -5.038 4.645 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.851 -3.046 3.533 1.00 0.00 H new ATOM 230 N THR A 19 -6.380 -7.950 4.926 1.00 0.00 N ATOM 231 CA THR A 19 -5.137 -8.463 5.476 1.00 0.00 C ATOM 232 C THR A 19 -4.501 -7.411 6.379 1.00 0.00 C ATOM 233 O THR A 19 -3.838 -7.729 7.366 1.00 0.00 O ATOM 234 CB THR A 19 -4.156 -8.831 4.351 1.00 0.00 C ATOM 235 OG1 THR A 19 -4.889 -9.269 3.198 1.00 0.00 O ATOM 236 CG2 THR A 19 -3.196 -9.925 4.793 1.00 0.00 C ATOM 0 H THR A 19 -6.298 -7.583 3.978 1.00 0.00 H new ATOM 0 HA THR A 19 -5.360 -9.360 6.054 1.00 0.00 H new ATOM 0 HB THR A 19 -3.571 -7.945 4.104 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.264 -9.476 2.472 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.515 -10.163 3.976 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.623 -9.580 5.654 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.761 -10.816 5.066 1.00 0.00 H new ATOM 244 N TYR A 20 -4.722 -6.152 6.021 1.00 0.00 N ATOM 245 CA TYR A 20 -4.204 -5.021 6.774 1.00 0.00 C ATOM 246 C TYR A 20 -5.034 -3.784 6.453 1.00 0.00 C ATOM 247 O TYR A 20 -4.993 -3.277 5.331 1.00 0.00 O ATOM 248 CB TYR A 20 -2.732 -4.775 6.435 1.00 0.00 C ATOM 249 CG TYR A 20 -1.929 -4.218 7.586 1.00 0.00 C ATOM 250 CD1 TYR A 20 -1.317 -5.064 8.501 1.00 0.00 C ATOM 251 CD2 TYR A 20 -1.786 -2.847 7.761 1.00 0.00 C ATOM 252 CE1 TYR A 20 -0.585 -4.561 9.558 1.00 0.00 C ATOM 253 CE2 TYR A 20 -1.057 -2.335 8.817 1.00 0.00 C ATOM 254 CZ TYR A 20 -0.459 -3.196 9.713 1.00 0.00 C ATOM 255 OH TYR A 20 0.264 -2.691 10.769 1.00 0.00 O ATOM 0 H TYR A 20 -5.266 -5.888 5.200 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.272 -5.239 7.840 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.282 -5.713 6.110 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.673 -4.084 5.594 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.415 -6.133 8.384 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.252 -2.171 7.060 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.113 -5.233 10.260 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.956 -1.267 8.940 1.00 0.00 H new ATOM 0 HH TYR A 20 1.109 -3.180 10.850 1.00 0.00 H new ATOM 265 N CYS A 21 -5.801 -3.319 7.425 1.00 0.00 N ATOM 266 CA CYS A 21 -6.653 -2.156 7.230 1.00 0.00 C ATOM 267 C CYS A 21 -5.918 -0.863 7.574 1.00 0.00 C ATOM 268 O CYS A 21 -4.930 -0.873 8.312 1.00 0.00 O ATOM 269 CB CYS A 21 -7.910 -2.281 8.090 1.00 0.00 C ATOM 270 SG CYS A 21 -8.596 -3.953 8.147 1.00 0.00 S ATOM 0 H CYS A 21 -5.852 -3.729 8.358 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.932 -2.117 6.177 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.677 -1.960 9.105 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.670 -1.600 7.707 1.00 0.00 H new ATOM 0 HG CYS A 21 -8.996 -4.217 9.355 1.00 0.00 H new ATOM 276 N ASP A 22 -6.408 0.241 7.025 1.00 0.00 N ATOM 277 CA ASP A 22 -5.829 1.557 7.270 1.00 0.00 C ATOM 278 C ASP A 22 -6.405 2.134 8.559 1.00 0.00 C ATOM 279 O ASP A 22 -7.469 1.709 9.010 1.00 0.00 O ATOM 280 CB ASP A 22 -6.131 2.486 6.091 1.00 0.00 C ATOM 281 CG ASP A 22 -5.298 3.754 6.084 1.00 0.00 C ATOM 282 OD1 ASP A 22 -5.602 4.669 6.871 1.00 0.00 O ATOM 283 OD2 ASP A 22 -4.348 3.847 5.274 1.00 0.00 O ATOM 0 H ASP A 22 -7.214 0.251 6.400 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.748 1.465 7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.960 1.945 5.160 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.187 2.756 6.114 1.00 0.00 H new ATOM 288 N ASP A 23 -5.723 3.108 9.137 1.00 0.00 N ATOM 289 CA ASP A 23 -6.172 3.720 10.380 1.00 0.00 C ATOM 290 C ASP A 23 -7.237 4.785 10.123 1.00 0.00 C ATOM 291 O ASP A 23 -7.896 5.256 11.052 1.00 0.00 O ATOM 292 CB ASP A 23 -4.985 4.325 11.146 1.00 0.00 C ATOM 293 CG ASP A 23 -4.325 5.489 10.422 1.00 0.00 C ATOM 294 OD1 ASP A 23 -3.512 5.244 9.502 1.00 0.00 O ATOM 295 OD2 ASP A 23 -4.592 6.654 10.792 1.00 0.00 O ATOM 0 H ASP A 23 -4.855 3.494 8.766 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.620 2.937 10.991 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.328 4.663 12.124 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.241 3.547 11.321 1.00 0.00 H new ATOM 300 N ARG A 24 -7.416 5.154 8.862 1.00 0.00 N ATOM 301 CA ARG A 24 -8.401 6.168 8.493 1.00 0.00 C ATOM 302 C ARG A 24 -9.706 5.539 8.007 1.00 0.00 C ATOM 303 O ARG A 24 -10.583 6.234 7.497 1.00 0.00 O ATOM 304 CB ARG A 24 -7.829 7.077 7.407 1.00 0.00 C ATOM 305 CG ARG A 24 -6.544 7.771 7.818 1.00 0.00 C ATOM 306 CD ARG A 24 -5.593 7.924 6.645 1.00 0.00 C ATOM 307 NE ARG A 24 -4.449 8.763 6.985 1.00 0.00 N ATOM 308 CZ ARG A 24 -3.936 9.683 6.174 1.00 0.00 C ATOM 309 NH1 ARG A 24 -4.435 9.852 4.954 1.00 0.00 N ATOM 310 NH2 ARG A 24 -2.914 10.427 6.581 1.00 0.00 N ATOM 0 H ARG A 24 -6.893 4.768 8.076 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.624 6.754 9.384 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.643 6.487 6.510 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.572 7.830 7.145 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.776 8.753 8.230 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.058 7.200 8.609 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.243 6.941 6.330 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.125 8.359 5.799 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.017 8.636 7.900 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.214 9.275 4.637 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.039 10.559 4.334 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.524 10.292 7.514 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.519 11.134 5.961 1.00 0.00 H new ATOM 324 N ILE A 25 -9.840 4.231 8.182 1.00 0.00 N ATOM 325 CA ILE A 25 -11.039 3.521 7.744 1.00 0.00 C ATOM 326 C ILE A 25 -12.199 3.726 8.725 1.00 0.00 C ATOM 327 O ILE A 25 -13.375 3.659 8.347 1.00 0.00 O ATOM 328 CB ILE A 25 -10.753 2.006 7.572 1.00 0.00 C ATOM 329 CG1 ILE A 25 -11.875 1.325 6.787 1.00 0.00 C ATOM 330 CG2 ILE A 25 -10.564 1.326 8.924 1.00 0.00 C ATOM 331 CD1 ILE A 25 -11.543 -0.090 6.362 1.00 0.00 C ATOM 0 H ILE A 25 -9.136 3.639 8.623 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.328 3.936 6.779 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.826 1.906 7.007 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.778 1.310 7.398 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.100 1.919 5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.365 0.265 8.773 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.723 1.782 9.446 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.469 1.444 9.520 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -12.384 -0.511 5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.659 -0.080 5.725 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -11.347 -0.699 7.245 1.00 0.00 H new ATOM 343 N THR A 26 -11.857 4.010 9.974 1.00 0.00 N ATOM 344 CA THR A 26 -12.843 4.206 11.025 1.00 0.00 C ATOM 345 C THR A 26 -13.692 5.456 10.810 1.00 0.00 C ATOM 346 O THR A 26 -14.909 5.416 10.969 1.00 0.00 O ATOM 347 CB THR A 26 -12.150 4.312 12.389 1.00 0.00 C ATOM 348 OG1 THR A 26 -10.772 3.937 12.254 1.00 0.00 O ATOM 349 CG2 THR A 26 -12.831 3.426 13.420 1.00 0.00 C ATOM 0 H THR A 26 -10.891 4.111 10.286 1.00 0.00 H new ATOM 0 HA THR A 26 -13.503 3.339 10.995 1.00 0.00 H new ATOM 0 HB THR A 26 -12.219 5.344 12.734 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.327 4.006 13.125 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.318 3.521 14.377 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.871 3.733 13.533 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.793 2.388 13.090 1.00 0.00 H new ATOM 357 N GLU A 27 -13.056 6.556 10.427 1.00 0.00 N ATOM 358 CA GLU A 27 -13.762 7.822 10.228 1.00 0.00 C ATOM 359 C GLU A 27 -14.605 7.841 8.953 1.00 0.00 C ATOM 360 O GLU A 27 -15.237 8.850 8.642 1.00 0.00 O ATOM 361 CB GLU A 27 -12.765 8.980 10.204 1.00 0.00 C ATOM 362 CG GLU A 27 -12.178 9.298 11.567 1.00 0.00 C ATOM 363 CD GLU A 27 -11.054 10.306 11.493 1.00 0.00 C ATOM 364 OE1 GLU A 27 -9.913 9.904 11.180 1.00 0.00 O ATOM 365 OE2 GLU A 27 -11.301 11.504 11.753 1.00 0.00 O ATOM 0 H GLU A 27 -12.053 6.600 10.247 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.448 7.934 11.068 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.955 8.738 9.515 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.261 9.869 9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.964 9.683 12.217 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.808 8.380 12.023 1.00 0.00 H new ATOM 372 N LEU A 28 -14.624 6.740 8.218 1.00 0.00 N ATOM 373 CA LEU A 28 -15.403 6.682 6.990 1.00 0.00 C ATOM 374 C LEU A 28 -16.492 5.617 7.061 1.00 0.00 C ATOM 375 O LEU A 28 -17.681 5.923 6.956 1.00 0.00 O ATOM 376 CB LEU A 28 -14.491 6.424 5.789 1.00 0.00 C ATOM 377 CG LEU A 28 -13.669 7.631 5.333 1.00 0.00 C ATOM 378 CD1 LEU A 28 -12.798 7.264 4.144 1.00 0.00 C ATOM 379 CD2 LEU A 28 -14.581 8.797 4.982 1.00 0.00 C ATOM 0 H LEU A 28 -14.117 5.885 8.446 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.891 7.649 6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.809 5.611 6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.102 6.083 4.954 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.021 7.935 6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.221 8.135 3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.119 6.459 4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.429 6.934 3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.978 9.646 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.254 8.503 4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.165 9.078 5.858 1.00 0.00 H new ATOM 391 N ILE A 29 -16.088 4.370 7.251 1.00 0.00 N ATOM 392 CA ILE A 29 -17.037 3.266 7.310 1.00 0.00 C ATOM 393 C ILE A 29 -17.638 3.123 8.706 1.00 0.00 C ATOM 394 O ILE A 29 -18.784 2.704 8.864 1.00 0.00 O ATOM 395 CB ILE A 29 -16.366 1.938 6.897 1.00 0.00 C ATOM 396 CG1 ILE A 29 -15.643 2.110 5.558 1.00 0.00 C ATOM 397 CG2 ILE A 29 -17.396 0.819 6.808 1.00 0.00 C ATOM 398 CD1 ILE A 29 -14.920 0.866 5.089 1.00 0.00 C ATOM 0 H ILE A 29 -15.112 4.097 7.367 1.00 0.00 H new ATOM 0 HA ILE A 29 -17.839 3.493 6.607 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.635 1.666 7.659 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -16.368 2.405 4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -14.924 2.925 5.646 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -16.902 -0.108 6.516 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -17.873 0.685 7.779 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -18.151 1.078 6.066 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.433 1.066 4.135 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -14.170 0.581 5.827 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.636 0.053 4.967 1.00 0.00 H new ATOM 410 N GLY A 30 -16.862 3.481 9.716 1.00 0.00 N ATOM 411 CA GLY A 30 -17.332 3.374 11.084 1.00 0.00 C ATOM 412 C GLY A 30 -16.804 2.127 11.757 1.00 0.00 C ATOM 413 O GLY A 30 -16.854 1.997 12.978 1.00 0.00 O ATOM 0 H GLY A 30 -15.914 3.844 9.615 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.018 4.253 11.647 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -18.422 3.361 11.095 1.00 0.00 H new ATOM 417 N TYR A 31 -16.292 1.209 10.951 1.00 0.00 N ATOM 418 CA TYR A 31 -15.741 -0.039 11.456 1.00 0.00 C ATOM 419 C TYR A 31 -14.276 0.140 11.835 1.00 0.00 C ATOM 420 O TYR A 31 -13.545 0.884 11.179 1.00 0.00 O ATOM 421 CB TYR A 31 -15.873 -1.141 10.402 1.00 0.00 C ATOM 422 CG TYR A 31 -17.153 -1.942 10.499 1.00 0.00 C ATOM 423 CD1 TYR A 31 -17.404 -2.752 11.598 1.00 0.00 C ATOM 424 CD2 TYR A 31 -18.106 -1.897 9.487 1.00 0.00 C ATOM 425 CE1 TYR A 31 -18.566 -3.495 11.688 1.00 0.00 C ATOM 426 CE2 TYR A 31 -19.271 -2.636 9.571 1.00 0.00 C ATOM 427 CZ TYR A 31 -19.497 -3.434 10.673 1.00 0.00 C ATOM 428 OH TYR A 31 -20.657 -4.173 10.759 1.00 0.00 O ATOM 0 H TYR A 31 -16.247 1.307 9.937 1.00 0.00 H new ATOM 0 HA TYR A 31 -16.302 -0.328 12.345 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -15.814 -0.690 9.412 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.025 -1.820 10.494 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -16.679 -2.803 12.397 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -17.933 -1.275 8.622 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -18.744 -4.121 12.550 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -20.001 -2.589 8.777 1.00 0.00 H new ATOM 0 HH TYR A 31 -21.205 -4.015 9.962 1.00 0.00 H new ATOM 438 N HIS A 32 -13.856 -0.532 12.896 1.00 0.00 N ATOM 439 CA HIS A 32 -12.476 -0.454 13.353 1.00 0.00 C ATOM 440 C HIS A 32 -11.580 -1.327 12.483 1.00 0.00 C ATOM 441 O HIS A 32 -11.998 -2.395 12.032 1.00 0.00 O ATOM 442 CB HIS A 32 -12.369 -0.896 14.814 1.00 0.00 C ATOM 443 CG HIS A 32 -12.181 0.239 15.774 1.00 0.00 C ATOM 444 ND1 HIS A 32 -13.218 1.029 16.218 1.00 0.00 N ATOM 445 CD2 HIS A 32 -11.066 0.715 16.377 1.00 0.00 C ATOM 446 CE1 HIS A 32 -12.752 1.939 17.049 1.00 0.00 C ATOM 447 NE2 HIS A 32 -11.451 1.772 17.163 1.00 0.00 N ATOM 0 H HIS A 32 -14.452 -1.139 13.458 1.00 0.00 H new ATOM 0 HA HIS A 32 -12.148 0.582 13.274 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -13.271 -1.444 15.086 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.533 -1.588 14.915 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.062 0.334 16.261 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -13.338 2.694 17.552 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -10.830 2.337 17.742 1.00 0.00 H new ATOM 456 N PRO A 33 -10.341 -0.878 12.229 1.00 0.00 N ATOM 457 CA PRO A 33 -9.373 -1.622 11.416 1.00 0.00 C ATOM 458 C PRO A 33 -9.206 -3.073 11.872 1.00 0.00 C ATOM 459 O PRO A 33 -9.272 -4.000 11.062 1.00 0.00 O ATOM 460 CB PRO A 33 -8.069 -0.848 11.619 1.00 0.00 C ATOM 461 CG PRO A 33 -8.498 0.539 11.950 1.00 0.00 C ATOM 462 CD PRO A 33 -9.794 0.408 12.700 1.00 0.00 C ATOM 0 HA PRO A 33 -9.691 -1.690 10.376 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.473 -1.280 12.423 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.453 -0.868 10.720 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.747 1.045 12.556 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.630 1.132 11.045 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.634 0.405 13.778 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.469 1.235 12.480 1.00 0.00 H new ATOM 470 N GLU A 34 -9.022 -3.267 13.173 1.00 0.00 N ATOM 471 CA GLU A 34 -8.833 -4.604 13.732 1.00 0.00 C ATOM 472 C GLU A 34 -10.117 -5.428 13.676 1.00 0.00 C ATOM 473 O GLU A 34 -10.074 -6.661 13.693 1.00 0.00 O ATOM 474 CB GLU A 34 -8.333 -4.529 15.178 1.00 0.00 C ATOM 475 CG GLU A 34 -9.202 -3.680 16.094 1.00 0.00 C ATOM 476 CD GLU A 34 -8.769 -2.231 16.124 1.00 0.00 C ATOM 477 OE1 GLU A 34 -9.167 -1.469 15.220 1.00 0.00 O ATOM 478 OE2 GLU A 34 -8.022 -1.852 17.046 1.00 0.00 O ATOM 0 H GLU A 34 -8.999 -2.516 13.863 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.080 -5.100 13.119 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.275 -5.539 15.584 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.320 -4.126 15.180 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.239 -3.739 15.763 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.166 -4.088 17.104 1.00 0.00 H new ATOM 485 N GLU A 35 -11.254 -4.748 13.601 1.00 0.00 N ATOM 486 CA GLU A 35 -12.545 -5.422 13.545 1.00 0.00 C ATOM 487 C GLU A 35 -12.710 -6.141 12.212 1.00 0.00 C ATOM 488 O GLU A 35 -13.227 -7.255 12.155 1.00 0.00 O ATOM 489 CB GLU A 35 -13.684 -4.415 13.743 1.00 0.00 C ATOM 490 CG GLU A 35 -14.731 -4.862 14.751 1.00 0.00 C ATOM 491 CD GLU A 35 -15.939 -5.512 14.103 1.00 0.00 C ATOM 492 OE1 GLU A 35 -15.769 -6.520 13.389 1.00 0.00 O ATOM 493 OE2 GLU A 35 -17.067 -5.017 14.316 1.00 0.00 O ATOM 0 H GLU A 35 -11.308 -3.730 13.578 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.584 -6.157 14.349 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.263 -3.464 14.068 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.170 -4.237 12.784 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.278 -5.566 15.449 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.058 -4.000 15.333 1.00 0.00 H new ATOM 500 N LEU A 36 -12.238 -5.509 11.146 1.00 0.00 N ATOM 501 CA LEU A 36 -12.345 -6.079 9.809 1.00 0.00 C ATOM 502 C LEU A 36 -11.191 -7.034 9.517 1.00 0.00 C ATOM 503 O LEU A 36 -11.197 -7.743 8.512 1.00 0.00 O ATOM 504 CB LEU A 36 -12.387 -4.963 8.763 1.00 0.00 C ATOM 505 CG LEU A 36 -13.429 -3.871 9.024 1.00 0.00 C ATOM 506 CD1 LEU A 36 -13.436 -2.861 7.889 1.00 0.00 C ATOM 507 CD2 LEU A 36 -14.814 -4.476 9.209 1.00 0.00 C ATOM 0 H LEU A 36 -11.777 -4.600 11.181 1.00 0.00 H new ATOM 0 HA LEU A 36 -13.272 -6.651 9.760 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.402 -4.499 8.709 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.584 -5.407 7.787 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.158 -3.355 9.945 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.182 -2.092 8.091 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.452 -2.399 7.807 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.679 -3.366 6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.537 -3.681 9.393 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.096 -5.021 8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.802 -5.159 10.058 1.00 0.00 H new ATOM 519 N LEU A 37 -10.213 -7.069 10.412 1.00 0.00 N ATOM 520 CA LEU A 37 -9.054 -7.934 10.240 1.00 0.00 C ATOM 521 C LEU A 37 -9.413 -9.390 10.510 1.00 0.00 C ATOM 522 O LEU A 37 -9.504 -9.811 11.664 1.00 0.00 O ATOM 523 CB LEU A 37 -7.917 -7.503 11.170 1.00 0.00 C ATOM 524 CG LEU A 37 -7.108 -6.295 10.700 1.00 0.00 C ATOM 525 CD1 LEU A 37 -6.088 -5.902 11.757 1.00 0.00 C ATOM 526 CD2 LEU A 37 -6.418 -6.599 9.379 1.00 0.00 C ATOM 0 H LEU A 37 -10.199 -6.509 11.264 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.723 -7.842 9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.338 -7.278 12.150 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.238 -8.345 11.300 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.789 -5.458 10.546 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.518 -5.040 11.410 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.603 -5.647 12.683 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.410 -6.737 11.937 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.846 -5.728 9.058 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.746 -7.448 9.506 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.167 -6.839 8.624 1.00 0.00 H new ATOM 538 N GLY A 38 -9.646 -10.148 9.448 1.00 0.00 N ATOM 539 CA GLY A 38 -9.970 -11.553 9.603 1.00 0.00 C ATOM 540 C GLY A 38 -11.321 -11.922 9.028 1.00 0.00 C ATOM 541 O GLY A 38 -11.495 -13.017 8.492 1.00 0.00 O ATOM 0 H GLY A 38 -9.617 -9.817 8.484 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.200 -12.152 9.117 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.952 -11.808 10.662 1.00 0.00 H new ATOM 545 N ARG A 39 -12.281 -11.018 9.137 1.00 0.00 N ATOM 546 CA ARG A 39 -13.623 -11.273 8.630 1.00 0.00 C ATOM 547 C ARG A 39 -13.696 -11.041 7.124 1.00 0.00 C ATOM 548 O ARG A 39 -12.917 -10.267 6.564 1.00 0.00 O ATOM 549 CB ARG A 39 -14.651 -10.399 9.356 1.00 0.00 C ATOM 550 CG ARG A 39 -14.494 -8.909 9.100 1.00 0.00 C ATOM 551 CD ARG A 39 -15.446 -8.094 9.962 1.00 0.00 C ATOM 552 NE ARG A 39 -16.848 -8.362 9.644 1.00 0.00 N ATOM 553 CZ ARG A 39 -17.876 -7.911 10.364 1.00 0.00 C ATOM 554 NH1 ARG A 39 -17.661 -7.192 11.460 1.00 0.00 N ATOM 555 NH2 ARG A 39 -19.121 -8.192 9.991 1.00 0.00 N ATOM 0 H ARG A 39 -12.158 -10.103 9.571 1.00 0.00 H new ATOM 0 HA ARG A 39 -13.859 -12.320 8.823 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -15.652 -10.705 9.051 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -14.575 -10.582 10.428 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -13.467 -8.609 9.307 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -14.682 -8.697 8.047 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -15.264 -8.319 11.013 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -15.240 -7.033 9.823 1.00 0.00 H new ATOM 0 HE ARG A 39 -17.052 -8.929 8.821 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -16.707 -6.983 11.754 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -18.450 -6.849 12.008 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -19.289 -8.752 9.155 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -19.908 -7.848 10.541 1.00 0.00 H new ATOM 569 N SER A 40 -14.627 -11.732 6.481 1.00 0.00 N ATOM 570 CA SER A 40 -14.824 -11.617 5.046 1.00 0.00 C ATOM 571 C SER A 40 -15.336 -10.226 4.689 1.00 0.00 C ATOM 572 O SER A 40 -16.299 -9.734 5.284 1.00 0.00 O ATOM 573 CB SER A 40 -15.810 -12.685 4.585 1.00 0.00 C ATOM 574 OG SER A 40 -15.694 -13.853 5.387 1.00 0.00 O ATOM 0 H SER A 40 -15.263 -12.385 6.938 1.00 0.00 H new ATOM 0 HA SER A 40 -13.871 -11.766 4.538 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.827 -12.298 4.642 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.622 -12.934 3.541 1.00 0.00 H new ATOM 0 HG SER A 40 -16.335 -14.527 5.078 1.00 0.00 H new ATOM 580 N ALA A 41 -14.699 -9.602 3.712 1.00 0.00 N ATOM 581 CA ALA A 41 -15.069 -8.258 3.293 1.00 0.00 C ATOM 582 C ALA A 41 -16.303 -8.264 2.401 1.00 0.00 C ATOM 583 O ALA A 41 -17.133 -7.364 2.485 1.00 0.00 O ATOM 584 CB ALA A 41 -13.903 -7.593 2.574 1.00 0.00 C ATOM 0 H ALA A 41 -13.920 -10.006 3.192 1.00 0.00 H new ATOM 0 HA ALA A 41 -15.313 -7.687 4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.191 -6.588 2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.047 -7.534 3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.635 -8.180 1.695 1.00 0.00 H new ATOM 590 N TYR A 42 -16.432 -9.301 1.575 1.00 0.00 N ATOM 591 CA TYR A 42 -17.555 -9.419 0.641 1.00 0.00 C ATOM 592 C TYR A 42 -18.913 -9.441 1.348 1.00 0.00 C ATOM 593 O TYR A 42 -19.934 -9.126 0.737 1.00 0.00 O ATOM 594 CB TYR A 42 -17.396 -10.666 -0.230 1.00 0.00 C ATOM 595 CG TYR A 42 -16.520 -10.449 -1.446 1.00 0.00 C ATOM 596 CD1 TYR A 42 -15.135 -10.479 -1.343 1.00 0.00 C ATOM 597 CD2 TYR A 42 -17.079 -10.211 -2.695 1.00 0.00 C ATOM 598 CE1 TYR A 42 -14.334 -10.282 -2.451 1.00 0.00 C ATOM 599 CE2 TYR A 42 -16.282 -10.012 -3.809 1.00 0.00 C ATOM 600 CZ TYR A 42 -14.910 -10.047 -3.680 1.00 0.00 C ATOM 601 OH TYR A 42 -14.110 -9.855 -4.785 1.00 0.00 O ATOM 0 H TYR A 42 -15.770 -10.076 1.532 1.00 0.00 H new ATOM 0 HA TYR A 42 -17.535 -8.529 0.012 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -16.973 -11.469 0.374 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -18.381 -10.998 -0.557 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -14.677 -10.659 -0.382 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -18.154 -10.181 -2.799 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -13.259 -10.312 -2.354 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -16.732 -9.830 -4.774 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.358 -10.483 -4.758 1.00 0.00 H new ATOM 611 N GLU A 43 -18.916 -9.790 2.633 1.00 0.00 N ATOM 612 CA GLU A 43 -20.149 -9.846 3.420 1.00 0.00 C ATOM 613 C GLU A 43 -20.875 -8.503 3.413 1.00 0.00 C ATOM 614 O GLU A 43 -22.105 -8.442 3.365 1.00 0.00 O ATOM 615 CB GLU A 43 -19.837 -10.234 4.864 1.00 0.00 C ATOM 616 CG GLU A 43 -19.319 -11.648 5.025 1.00 0.00 C ATOM 617 CD GLU A 43 -20.314 -12.690 4.561 1.00 0.00 C ATOM 618 OE1 GLU A 43 -21.534 -12.429 4.619 1.00 0.00 O ATOM 619 OE2 GLU A 43 -19.875 -13.775 4.132 1.00 0.00 O ATOM 0 H GLU A 43 -18.075 -10.039 3.154 1.00 0.00 H new ATOM 0 HA GLU A 43 -20.795 -10.597 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -19.098 -9.540 5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -20.740 -10.119 5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -18.393 -11.758 4.460 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -19.076 -11.825 6.073 1.00 0.00 H new ATOM 626 N PHE A 44 -20.099 -7.431 3.460 1.00 0.00 N ATOM 627 CA PHE A 44 -20.644 -6.082 3.477 1.00 0.00 C ATOM 628 C PHE A 44 -19.988 -5.233 2.393 1.00 0.00 C ATOM 629 O PHE A 44 -20.025 -4.002 2.437 1.00 0.00 O ATOM 630 CB PHE A 44 -20.421 -5.447 4.856 1.00 0.00 C ATOM 631 CG PHE A 44 -19.003 -5.551 5.353 1.00 0.00 C ATOM 632 CD1 PHE A 44 -18.581 -6.664 6.065 1.00 0.00 C ATOM 633 CD2 PHE A 44 -18.095 -4.534 5.112 1.00 0.00 C ATOM 634 CE1 PHE A 44 -17.280 -6.761 6.520 1.00 0.00 C ATOM 635 CE2 PHE A 44 -16.792 -4.626 5.565 1.00 0.00 C ATOM 636 CZ PHE A 44 -16.385 -5.738 6.272 1.00 0.00 C ATOM 0 H PHE A 44 -19.080 -7.470 3.487 1.00 0.00 H new ATOM 0 HA PHE A 44 -21.715 -6.131 3.278 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -20.704 -4.395 4.811 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -21.084 -5.925 5.577 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -19.278 -7.464 6.266 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -18.408 -3.658 4.563 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -16.963 -7.635 7.069 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -16.093 -3.827 5.365 1.00 0.00 H new ATOM 0 HZ PHE A 44 -15.369 -5.809 6.631 1.00 0.00 H new ATOM 646 N TYR A 45 -19.406 -5.897 1.406 1.00 0.00 N ATOM 647 CA TYR A 45 -18.721 -5.200 0.330 1.00 0.00 C ATOM 648 C TYR A 45 -19.692 -4.698 -0.730 1.00 0.00 C ATOM 649 O TYR A 45 -19.639 -5.126 -1.884 1.00 0.00 O ATOM 650 CB TYR A 45 -17.655 -6.091 -0.309 1.00 0.00 C ATOM 651 CG TYR A 45 -16.272 -5.475 -0.300 1.00 0.00 C ATOM 652 CD1 TYR A 45 -15.889 -4.599 0.708 1.00 0.00 C ATOM 653 CD2 TYR A 45 -15.350 -5.769 -1.299 1.00 0.00 C ATOM 654 CE1 TYR A 45 -14.629 -4.032 0.721 1.00 0.00 C ATOM 655 CE2 TYR A 45 -14.087 -5.204 -1.293 1.00 0.00 C ATOM 656 CZ TYR A 45 -13.732 -4.337 -0.281 1.00 0.00 C ATOM 657 OH TYR A 45 -12.478 -3.770 -0.272 1.00 0.00 O ATOM 0 H TYR A 45 -19.395 -6.914 1.328 1.00 0.00 H new ATOM 0 HA TYR A 45 -18.233 -4.332 0.773 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -17.624 -7.044 0.220 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -17.942 -6.307 -1.338 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -16.588 -4.357 1.495 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -15.624 -6.449 -2.092 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.348 -3.353 1.512 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -13.383 -5.441 -2.077 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.969 -4.089 -1.046 1.00 0.00 H new ATOM 667 N HIS A 46 -20.559 -3.766 -0.320 1.00 0.00 N ATOM 668 CA HIS A 46 -21.547 -3.133 -1.205 1.00 0.00 C ATOM 669 C HIS A 46 -22.454 -4.171 -1.849 1.00 0.00 C ATOM 670 O HIS A 46 -22.114 -4.740 -2.880 1.00 0.00 O ATOM 671 CB HIS A 46 -20.883 -2.284 -2.313 1.00 0.00 C ATOM 672 CG HIS A 46 -19.434 -1.959 -2.090 1.00 0.00 C ATOM 673 ND1 HIS A 46 -18.806 -1.399 -1.033 1.00 0.00 N flip ATOM 674 CD2 HIS A 46 -18.444 -2.254 -3.003 1.00 0.00 C flip ATOM 675 CE1 HIS A 46 -17.467 -1.374 -1.318 1.00 0.00 C flip ATOM 676 NE2 HIS A 46 -17.273 -1.896 -2.511 1.00 0.00 N flip ATOM 0 H HIS A 46 -20.596 -3.426 0.641 1.00 0.00 H new ATOM 0 HA HIS A 46 -22.140 -2.472 -0.574 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -20.978 -2.814 -3.260 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.437 -1.350 -2.414 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -18.602 -2.708 -3.970 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -16.695 -0.988 -0.669 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -16.372 -2.005 -2.976 1.00 0.00 H new ATOM 685 N ALA A 47 -23.614 -4.394 -1.246 1.00 0.00 N ATOM 686 CA ALA A 47 -24.585 -5.368 -1.749 1.00 0.00 C ATOM 687 C ALA A 47 -24.882 -5.198 -3.242 1.00 0.00 C ATOM 688 O ALA A 47 -24.940 -6.178 -3.988 1.00 0.00 O ATOM 689 CB ALA A 47 -25.875 -5.264 -0.955 1.00 0.00 C ATOM 0 H ALA A 47 -23.911 -3.910 -0.399 1.00 0.00 H new ATOM 0 HA ALA A 47 -24.140 -6.355 -1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -26.594 -5.991 -1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -25.672 -5.467 0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -26.286 -4.260 -1.058 1.00 0.00 H new ATOM 695 N LEU A 48 -25.050 -3.956 -3.678 1.00 0.00 N ATOM 696 CA LEU A 48 -25.364 -3.673 -5.078 1.00 0.00 C ATOM 697 C LEU A 48 -24.109 -3.575 -5.948 1.00 0.00 C ATOM 698 O LEU A 48 -24.195 -3.587 -7.178 1.00 0.00 O ATOM 699 CB LEU A 48 -26.173 -2.377 -5.194 1.00 0.00 C ATOM 700 CG LEU A 48 -25.382 -1.080 -4.999 1.00 0.00 C ATOM 701 CD1 LEU A 48 -26.066 0.063 -5.730 1.00 0.00 C ATOM 702 CD2 LEU A 48 -25.235 -0.753 -3.519 1.00 0.00 C ATOM 0 H LEU A 48 -24.975 -3.129 -3.086 1.00 0.00 H new ATOM 0 HA LEU A 48 -25.957 -4.511 -5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -26.642 -2.350 -6.177 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -26.977 -2.405 -4.458 1.00 0.00 H new ATOM 0 HG LEU A 48 -24.384 -1.218 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -25.496 0.981 -5.585 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -26.120 -0.166 -6.794 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -27.073 0.196 -5.336 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -24.670 0.172 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -26.222 -0.632 -3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -24.707 -1.564 -3.018 1.00 0.00 H new ATOM 714 N ASP A 49 -22.947 -3.488 -5.318 1.00 0.00 N ATOM 715 CA ASP A 49 -21.692 -3.379 -6.061 1.00 0.00 C ATOM 716 C ASP A 49 -20.831 -4.620 -5.860 1.00 0.00 C ATOM 717 O ASP A 49 -19.632 -4.601 -6.134 1.00 0.00 O ATOM 718 CB ASP A 49 -20.900 -2.136 -5.632 1.00 0.00 C ATOM 719 CG ASP A 49 -21.521 -0.836 -6.102 1.00 0.00 C ATOM 720 OD1 ASP A 49 -21.588 -0.612 -7.331 1.00 0.00 O ATOM 721 OD2 ASP A 49 -21.926 -0.024 -5.240 1.00 0.00 O ATOM 0 H ASP A 49 -22.843 -3.490 -4.303 1.00 0.00 H new ATOM 0 HA ASP A 49 -21.948 -3.288 -7.117 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -20.822 -2.121 -4.545 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -19.885 -2.208 -6.023 1.00 0.00 H new ATOM 726 N SER A 50 -21.445 -5.700 -5.390 1.00 0.00 N ATOM 727 CA SER A 50 -20.722 -6.942 -5.149 1.00 0.00 C ATOM 728 C SER A 50 -20.252 -7.543 -6.465 1.00 0.00 C ATOM 729 O SER A 50 -19.152 -8.096 -6.551 1.00 0.00 O ATOM 730 CB SER A 50 -21.601 -7.942 -4.396 1.00 0.00 C ATOM 731 OG SER A 50 -22.077 -7.392 -3.178 1.00 0.00 O ATOM 0 H SER A 50 -22.440 -5.740 -5.169 1.00 0.00 H new ATOM 0 HA SER A 50 -19.851 -6.717 -4.534 1.00 0.00 H new ATOM 0 HB2 SER A 50 -22.445 -8.231 -5.022 1.00 0.00 H new ATOM 0 HB3 SER A 50 -21.031 -8.848 -4.191 1.00 0.00 H new ATOM 0 HG SER A 50 -21.784 -6.460 -3.104 1.00 0.00 H new ATOM 737 N GLU A 51 -21.085 -7.414 -7.492 1.00 0.00 N ATOM 738 CA GLU A 51 -20.750 -7.932 -8.808 1.00 0.00 C ATOM 739 C GLU A 51 -19.526 -7.205 -9.346 1.00 0.00 C ATOM 740 O GLU A 51 -18.613 -7.825 -9.894 1.00 0.00 O ATOM 741 CB GLU A 51 -21.926 -7.772 -9.770 1.00 0.00 C ATOM 742 CG GLU A 51 -22.033 -8.899 -10.782 1.00 0.00 C ATOM 743 CD GLU A 51 -22.398 -8.410 -12.166 1.00 0.00 C ATOM 744 OE1 GLU A 51 -23.355 -7.616 -12.294 1.00 0.00 O ATOM 745 OE2 GLU A 51 -21.725 -8.816 -13.135 1.00 0.00 O ATOM 0 H GLU A 51 -21.995 -6.956 -7.436 1.00 0.00 H new ATOM 0 HA GLU A 51 -20.528 -8.996 -8.720 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -22.851 -7.720 -9.196 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -21.826 -6.825 -10.301 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -21.083 -9.431 -10.828 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -22.783 -9.614 -10.445 1.00 0.00 H new ATOM 752 N ASN A 52 -19.505 -5.887 -9.167 1.00 0.00 N ATOM 753 CA ASN A 52 -18.380 -5.076 -9.611 1.00 0.00 C ATOM 754 C ASN A 52 -17.123 -5.458 -8.840 1.00 0.00 C ATOM 755 O ASN A 52 -16.054 -5.594 -9.425 1.00 0.00 O ATOM 756 CB ASN A 52 -18.676 -3.582 -9.441 1.00 0.00 C ATOM 757 CG ASN A 52 -17.445 -2.713 -9.651 1.00 0.00 C ATOM 758 OD1 ASN A 52 -16.912 -2.134 -8.705 1.00 0.00 O ATOM 759 ND2 ASN A 52 -16.984 -2.613 -10.889 1.00 0.00 N ATOM 0 H ASN A 52 -20.254 -5.360 -8.718 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.218 -5.268 -10.672 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -19.450 -3.286 -10.149 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -19.074 -3.406 -8.442 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.161 -2.042 -11.082 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.452 -3.107 -11.649 1.00 0.00 H new ATOM 766 N MET A 53 -17.264 -5.661 -7.529 1.00 0.00 N ATOM 767 CA MET A 53 -16.130 -6.046 -6.692 1.00 0.00 C ATOM 768 C MET A 53 -15.564 -7.380 -7.157 1.00 0.00 C ATOM 769 O MET A 53 -14.353 -7.586 -7.157 1.00 0.00 O ATOM 770 CB MET A 53 -16.526 -6.149 -5.215 1.00 0.00 C ATOM 771 CG MET A 53 -16.992 -4.840 -4.601 1.00 0.00 C ATOM 772 SD MET A 53 -16.042 -3.411 -5.159 1.00 0.00 S ATOM 773 CE MET A 53 -14.398 -3.822 -4.580 1.00 0.00 C ATOM 0 H MET A 53 -18.147 -5.566 -7.028 1.00 0.00 H new ATOM 0 HA MET A 53 -15.372 -5.268 -6.790 1.00 0.00 H new ATOM 0 HB2 MET A 53 -17.321 -6.888 -5.115 1.00 0.00 H new ATOM 0 HB3 MET A 53 -15.673 -6.520 -4.647 1.00 0.00 H new ATOM 0 HG2 MET A 53 -18.043 -4.686 -4.845 1.00 0.00 H new ATOM 0 HG3 MET A 53 -16.924 -4.911 -3.515 1.00 0.00 H new ATOM 0 HE1 MET A 53 -14.060 -3.063 -3.875 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.419 -4.793 -4.085 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.713 -3.861 -5.427 1.00 0.00 H new ATOM 783 N THR A 54 -16.454 -8.283 -7.549 1.00 0.00 N ATOM 784 CA THR A 54 -16.050 -9.593 -8.032 1.00 0.00 C ATOM 785 C THR A 54 -15.337 -9.461 -9.376 1.00 0.00 C ATOM 786 O THR A 54 -14.277 -10.047 -9.590 1.00 0.00 O ATOM 787 CB THR A 54 -17.268 -10.531 -8.176 1.00 0.00 C ATOM 788 OG1 THR A 54 -18.024 -10.535 -6.956 1.00 0.00 O ATOM 789 CG2 THR A 54 -16.828 -11.951 -8.505 1.00 0.00 C ATOM 0 H THR A 54 -17.462 -8.129 -7.541 1.00 0.00 H new ATOM 0 HA THR A 54 -15.367 -10.026 -7.302 1.00 0.00 H new ATOM 0 HB THR A 54 -17.888 -10.162 -8.994 1.00 0.00 H new ATOM 0 HG1 THR A 54 -18.553 -9.712 -6.896 1.00 0.00 H new ATOM 0 HG21 THR A 54 -17.705 -12.591 -8.601 1.00 0.00 H new ATOM 0 HG22 THR A 54 -16.274 -11.952 -9.444 1.00 0.00 H new ATOM 0 HG23 THR A 54 -16.189 -12.328 -7.706 1.00 0.00 H new ATOM 797 N LYS A 55 -15.915 -8.654 -10.261 1.00 0.00 N ATOM 798 CA LYS A 55 -15.352 -8.424 -11.587 1.00 0.00 C ATOM 799 C LYS A 55 -13.989 -7.748 -11.482 1.00 0.00 C ATOM 800 O LYS A 55 -13.019 -8.193 -12.096 1.00 0.00 O ATOM 801 CB LYS A 55 -16.300 -7.556 -12.417 1.00 0.00 C ATOM 802 CG LYS A 55 -16.356 -7.937 -13.888 1.00 0.00 C ATOM 803 CD LYS A 55 -17.005 -9.298 -14.091 1.00 0.00 C ATOM 804 CE LYS A 55 -18.419 -9.346 -13.522 1.00 0.00 C ATOM 805 NZ LYS A 55 -19.311 -8.339 -14.154 1.00 0.00 N ATOM 0 H LYS A 55 -16.780 -8.145 -10.081 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.226 -9.388 -12.079 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -17.303 -7.625 -11.996 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -15.990 -6.514 -12.333 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -16.915 -7.181 -14.439 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -15.347 -7.950 -14.300 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -17.034 -9.531 -15.155 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.396 -10.065 -13.614 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -18.835 -10.342 -13.671 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -18.382 -9.173 -12.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -20.301 -8.639 -14.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -19.177 -7.418 -13.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -19.079 -8.255 -15.164 1.00 0.00 H new ATOM 819 N SER A 56 -13.929 -6.678 -10.694 1.00 0.00 N ATOM 820 CA SER A 56 -12.695 -5.938 -10.489 1.00 0.00 C ATOM 821 C SER A 56 -11.626 -6.862 -9.918 1.00 0.00 C ATOM 822 O SER A 56 -10.499 -6.882 -10.397 1.00 0.00 O ATOM 823 CB SER A 56 -12.943 -4.752 -9.547 1.00 0.00 C ATOM 824 OG SER A 56 -11.869 -3.827 -9.579 1.00 0.00 O ATOM 0 H SER A 56 -14.730 -6.304 -10.185 1.00 0.00 H new ATOM 0 HA SER A 56 -12.346 -5.551 -11.446 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.867 -4.248 -9.831 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.079 -5.117 -8.529 1.00 0.00 H new ATOM 0 HG SER A 56 -12.224 -2.915 -9.624 1.00 0.00 H new ATOM 830 N HIS A 57 -12.004 -7.653 -8.916 1.00 0.00 N ATOM 831 CA HIS A 57 -11.085 -8.592 -8.281 1.00 0.00 C ATOM 832 C HIS A 57 -10.583 -9.625 -9.291 1.00 0.00 C ATOM 833 O HIS A 57 -9.380 -9.857 -9.409 1.00 0.00 O ATOM 834 CB HIS A 57 -11.787 -9.291 -7.113 1.00 0.00 C ATOM 835 CG HIS A 57 -10.923 -10.255 -6.356 1.00 0.00 C ATOM 836 ND1 HIS A 57 -11.412 -11.408 -5.787 1.00 0.00 N ATOM 837 CD2 HIS A 57 -9.597 -10.232 -6.073 1.00 0.00 C ATOM 838 CE1 HIS A 57 -10.430 -12.051 -5.188 1.00 0.00 C ATOM 839 NE2 HIS A 57 -9.315 -11.362 -5.346 1.00 0.00 N ATOM 0 H HIS A 57 -12.946 -7.661 -8.525 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.225 -8.039 -7.904 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.156 -8.534 -6.422 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.657 -9.825 -7.495 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.893 -9.467 -6.365 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.522 -12.986 -4.656 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.397 -11.625 -4.988 1.00 0.00 H new ATOM 848 N GLN A 58 -11.517 -10.229 -10.014 1.00 0.00 N ATOM 849 CA GLN A 58 -11.202 -11.236 -11.024 1.00 0.00 C ATOM 850 C GLN A 58 -10.213 -10.687 -12.051 1.00 0.00 C ATOM 851 O GLN A 58 -9.217 -11.334 -12.382 1.00 0.00 O ATOM 852 CB GLN A 58 -12.502 -11.676 -11.707 1.00 0.00 C ATOM 853 CG GLN A 58 -12.318 -12.539 -12.946 1.00 0.00 C ATOM 854 CD GLN A 58 -13.631 -12.786 -13.664 1.00 0.00 C ATOM 855 OE1 GLN A 58 -14.691 -12.849 -13.041 1.00 0.00 O ATOM 856 NE2 GLN A 58 -13.576 -12.925 -14.980 1.00 0.00 N ATOM 0 H GLN A 58 -12.514 -10.036 -9.918 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.733 -12.095 -10.544 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -13.105 -12.227 -10.985 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -13.069 -10.787 -11.983 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -11.618 -12.053 -13.626 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -11.875 -13.493 -12.661 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -12.679 -12.867 -15.462 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -14.431 -13.090 -15.512 1.00 0.00 H new ATOM 865 N ASN A 59 -10.486 -9.484 -12.528 1.00 0.00 N ATOM 866 CA ASN A 59 -9.641 -8.830 -13.519 1.00 0.00 C ATOM 867 C ASN A 59 -8.308 -8.385 -12.912 1.00 0.00 C ATOM 868 O ASN A 59 -7.244 -8.614 -13.490 1.00 0.00 O ATOM 869 CB ASN A 59 -10.393 -7.630 -14.105 1.00 0.00 C ATOM 870 CG ASN A 59 -9.532 -6.764 -15.003 1.00 0.00 C ATOM 871 OD1 ASN A 59 -9.295 -7.097 -16.163 1.00 0.00 O ATOM 872 ND2 ASN A 59 -9.078 -5.634 -14.480 1.00 0.00 N ATOM 0 H ASN A 59 -11.296 -8.933 -12.242 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.413 -9.543 -14.311 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.251 -7.990 -14.673 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.783 -7.021 -13.290 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.509 -5.003 -15.044 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.298 -5.395 -13.513 1.00 0.00 H new ATOM 879 N LEU A 60 -8.375 -7.776 -11.735 1.00 0.00 N ATOM 880 CA LEU A 60 -7.194 -7.271 -11.033 1.00 0.00 C ATOM 881 C LEU A 60 -6.149 -8.360 -10.782 1.00 0.00 C ATOM 882 O LEU A 60 -4.952 -8.113 -10.924 1.00 0.00 O ATOM 883 CB LEU A 60 -7.621 -6.648 -9.701 1.00 0.00 C ATOM 884 CG LEU A 60 -6.505 -6.028 -8.862 1.00 0.00 C ATOM 885 CD1 LEU A 60 -5.766 -4.958 -9.651 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.080 -5.439 -7.584 1.00 0.00 C ATOM 0 H LEU A 60 -9.250 -7.616 -11.236 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.729 -6.521 -11.673 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.365 -5.878 -9.905 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.113 -7.417 -9.104 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.793 -6.811 -8.602 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.976 -4.531 -9.033 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.328 -5.402 -10.545 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.464 -4.173 -9.941 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.277 -4.999 -6.993 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.810 -4.669 -7.834 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.566 -6.226 -7.007 1.00 0.00 H new ATOM 898 N CYS A 61 -6.605 -9.555 -10.417 1.00 0.00 N ATOM 899 CA CYS A 61 -5.706 -10.674 -10.131 1.00 0.00 C ATOM 900 C CYS A 61 -4.771 -10.991 -11.303 1.00 0.00 C ATOM 901 O CYS A 61 -3.602 -11.327 -11.097 1.00 0.00 O ATOM 902 CB CYS A 61 -6.513 -11.927 -9.770 1.00 0.00 C ATOM 903 SG CYS A 61 -7.393 -11.825 -8.194 1.00 0.00 S ATOM 0 H CYS A 61 -7.595 -9.776 -10.311 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.088 -10.372 -9.286 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.236 -12.119 -10.563 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.838 -12.782 -9.740 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.434 -11.058 -8.327 1.00 0.00 H new ATOM 909 N THR A 62 -5.276 -10.877 -12.524 1.00 0.00 N ATOM 910 CA THR A 62 -4.481 -11.186 -13.705 1.00 0.00 C ATOM 911 C THR A 62 -3.879 -9.933 -14.351 1.00 0.00 C ATOM 912 O THR A 62 -2.791 -9.983 -14.924 1.00 0.00 O ATOM 913 CB THR A 62 -5.336 -11.937 -14.741 1.00 0.00 C ATOM 914 OG1 THR A 62 -6.295 -12.766 -14.065 1.00 0.00 O ATOM 915 CG2 THR A 62 -4.467 -12.796 -15.648 1.00 0.00 C ATOM 0 H THR A 62 -6.229 -10.574 -12.722 1.00 0.00 H new ATOM 0 HA THR A 62 -3.656 -11.817 -13.374 1.00 0.00 H new ATOM 0 HB THR A 62 -5.853 -11.201 -15.357 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.840 -13.242 -14.726 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.097 -13.315 -16.370 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.755 -12.162 -16.177 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.925 -13.527 -15.047 1.00 0.00 H new ATOM 923 N LYS A 63 -4.581 -8.814 -14.249 1.00 0.00 N ATOM 924 CA LYS A 63 -4.114 -7.561 -14.841 1.00 0.00 C ATOM 925 C LYS A 63 -2.957 -6.950 -14.059 1.00 0.00 C ATOM 926 O LYS A 63 -1.929 -6.586 -14.633 1.00 0.00 O ATOM 927 CB LYS A 63 -5.260 -6.554 -14.911 1.00 0.00 C ATOM 928 CG LYS A 63 -6.159 -6.739 -16.116 1.00 0.00 C ATOM 929 CD LYS A 63 -5.501 -6.238 -17.387 1.00 0.00 C ATOM 930 CE LYS A 63 -6.512 -6.091 -18.508 1.00 0.00 C ATOM 931 NZ LYS A 63 -5.884 -5.570 -19.746 1.00 0.00 N ATOM 0 H LYS A 63 -5.475 -8.744 -13.763 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.757 -7.795 -15.844 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.860 -6.636 -14.005 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.846 -5.546 -14.929 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.408 -7.795 -16.226 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.096 -6.206 -15.956 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.022 -5.277 -17.197 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.716 -6.931 -17.690 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.972 -7.058 -18.712 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.310 -5.418 -18.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.605 -5.482 -20.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.466 -4.637 -19.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.140 -6.225 -20.060 1.00 0.00 H new ATOM 945 N GLY A 64 -3.130 -6.833 -12.755 1.00 0.00 N ATOM 946 CA GLY A 64 -2.104 -6.242 -11.924 1.00 0.00 C ATOM 947 C GLY A 64 -2.538 -4.898 -11.379 1.00 0.00 C ATOM 948 O GLY A 64 -2.172 -4.521 -10.270 1.00 0.00 O ATOM 0 H GLY A 64 -3.965 -7.137 -12.254 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.872 -6.913 -11.097 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.189 -6.122 -12.504 1.00 0.00 H new ATOM 952 N GLN A 65 -3.326 -4.175 -12.159 1.00 0.00 N ATOM 953 CA GLN A 65 -3.820 -2.872 -11.744 1.00 0.00 C ATOM 954 C GLN A 65 -5.120 -2.540 -12.469 1.00 0.00 C ATOM 955 O GLN A 65 -5.277 -2.852 -13.652 1.00 0.00 O ATOM 956 CB GLN A 65 -2.779 -1.782 -12.010 1.00 0.00 C ATOM 957 CG GLN A 65 -3.174 -0.424 -11.452 1.00 0.00 C ATOM 958 CD GLN A 65 -2.195 0.670 -11.817 1.00 0.00 C ATOM 959 OE1 GLN A 65 -2.293 1.268 -12.885 1.00 0.00 O ATOM 960 NE2 GLN A 65 -1.258 0.954 -10.928 1.00 0.00 N ATOM 0 H GLN A 65 -3.638 -4.469 -13.085 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.012 -2.911 -10.672 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.827 -2.084 -11.573 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.622 -1.694 -13.085 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.163 -0.158 -11.824 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.249 -0.491 -10.367 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.211 0.433 -10.052 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.582 1.694 -11.118 1.00 0.00 H new ATOM 969 N VAL A 66 -6.050 -1.932 -11.748 1.00 0.00 N ATOM 970 CA VAL A 66 -7.335 -1.545 -12.310 1.00 0.00 C ATOM 971 C VAL A 66 -7.962 -0.445 -11.459 1.00 0.00 C ATOM 972 O VAL A 66 -7.841 -0.452 -10.233 1.00 0.00 O ATOM 973 CB VAL A 66 -8.304 -2.752 -12.419 1.00 0.00 C ATOM 974 CG1 VAL A 66 -8.646 -3.313 -11.047 1.00 0.00 C ATOM 975 CG2 VAL A 66 -9.573 -2.367 -13.168 1.00 0.00 C ATOM 0 H VAL A 66 -5.936 -1.694 -10.763 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.159 -1.172 -13.319 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.793 -3.531 -12.985 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.326 -4.157 -11.158 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.733 -3.645 -10.552 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -9.123 -2.539 -10.446 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -10.235 -3.231 -13.230 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.078 -1.560 -12.637 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.315 -2.034 -14.173 1.00 0.00 H new ATOM 985 N VAL A 67 -8.601 0.515 -12.105 1.00 0.00 N ATOM 986 CA VAL A 67 -9.238 1.610 -11.394 1.00 0.00 C ATOM 987 C VAL A 67 -10.752 1.489 -11.483 1.00 0.00 C ATOM 988 O VAL A 67 -11.328 1.540 -12.571 1.00 0.00 O ATOM 989 CB VAL A 67 -8.796 2.985 -11.946 1.00 0.00 C ATOM 990 CG1 VAL A 67 -9.365 4.116 -11.098 1.00 0.00 C ATOM 991 CG2 VAL A 67 -7.279 3.075 -12.005 1.00 0.00 C ATOM 0 H VAL A 67 -8.693 0.559 -13.120 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.926 1.546 -10.352 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.187 3.087 -12.958 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.041 5.074 -11.505 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.454 4.067 -11.109 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.008 4.018 -10.073 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.987 4.050 -12.396 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.868 2.948 -11.004 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.893 2.292 -12.658 1.00 0.00 H new ATOM 1001 N SER A 68 -11.391 1.304 -10.341 1.00 0.00 N ATOM 1002 CA SER A 68 -12.835 1.186 -10.289 1.00 0.00 C ATOM 1003 C SER A 68 -13.469 2.569 -10.174 1.00 0.00 C ATOM 1004 O SER A 68 -12.769 3.586 -10.210 1.00 0.00 O ATOM 1005 CB SER A 68 -13.247 0.294 -9.115 1.00 0.00 C ATOM 1006 OG SER A 68 -12.832 -1.047 -9.328 1.00 0.00 O ATOM 0 H SER A 68 -10.929 1.232 -9.434 1.00 0.00 H new ATOM 0 HA SER A 68 -13.191 0.723 -11.210 1.00 0.00 H new ATOM 0 HB2 SER A 68 -12.807 0.673 -8.193 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.329 0.328 -8.989 1.00 0.00 H new ATOM 0 HG SER A 68 -13.238 -1.627 -8.650 1.00 0.00 H new ATOM 1012 N GLY A 69 -14.782 2.611 -10.042 1.00 0.00 N ATOM 1013 CA GLY A 69 -15.465 3.878 -9.934 1.00 0.00 C ATOM 1014 C GLY A 69 -16.013 4.112 -8.550 1.00 0.00 C ATOM 1015 O GLY A 69 -15.708 3.364 -7.621 1.00 0.00 O ATOM 0 H GLY A 69 -15.387 1.791 -10.008 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.777 4.683 -10.192 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.280 3.912 -10.657 1.00 0.00 H new ATOM 1019 N GLN A 70 -16.817 5.151 -8.411 1.00 0.00 N ATOM 1020 CA GLN A 70 -17.414 5.482 -7.131 1.00 0.00 C ATOM 1021 C GLN A 70 -18.568 4.538 -6.839 1.00 0.00 C ATOM 1022 O GLN A 70 -19.553 4.493 -7.579 1.00 0.00 O ATOM 1023 CB GLN A 70 -17.891 6.933 -7.119 1.00 0.00 C ATOM 1024 CG GLN A 70 -16.802 7.918 -7.499 1.00 0.00 C ATOM 1025 CD GLN A 70 -17.252 9.361 -7.418 1.00 0.00 C ATOM 1026 OE1 GLN A 70 -18.433 9.667 -7.582 1.00 0.00 O ATOM 1027 NE2 GLN A 70 -16.308 10.259 -7.185 1.00 0.00 N ATOM 0 H GLN A 70 -17.072 5.781 -9.172 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.660 5.367 -6.352 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -18.727 7.040 -7.810 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -18.265 7.179 -6.125 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.944 7.774 -6.842 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -16.466 7.705 -8.514 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.341 9.961 -7.055 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.547 11.249 -7.135 1.00 0.00 H new ATOM 1036 N TYR A 71 -18.426 3.768 -5.779 1.00 0.00 N ATOM 1037 CA TYR A 71 -19.446 2.815 -5.383 1.00 0.00 C ATOM 1038 C TYR A 71 -20.031 3.204 -4.033 1.00 0.00 C ATOM 1039 O TYR A 71 -19.665 4.232 -3.467 1.00 0.00 O ATOM 1040 CB TYR A 71 -18.854 1.401 -5.317 1.00 0.00 C ATOM 1041 CG TYR A 71 -17.625 1.277 -4.437 1.00 0.00 C ATOM 1042 CD1 TYR A 71 -17.676 1.594 -3.086 1.00 0.00 C ATOM 1043 CD2 TYR A 71 -16.416 0.834 -4.958 1.00 0.00 C ATOM 1044 CE1 TYR A 71 -16.567 1.478 -2.280 1.00 0.00 C ATOM 1045 CE2 TYR A 71 -15.300 0.709 -4.154 1.00 0.00 C ATOM 1046 CZ TYR A 71 -15.383 1.034 -2.817 1.00 0.00 C ATOM 1047 OH TYR A 71 -14.285 0.899 -2.009 1.00 0.00 O ATOM 0 H TYR A 71 -17.607 3.784 -5.171 1.00 0.00 H new ATOM 0 HA TYR A 71 -20.243 2.825 -6.127 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.619 0.717 -4.950 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.597 1.080 -6.327 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -18.606 1.939 -2.659 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -16.348 0.584 -6.006 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -16.627 1.734 -1.233 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.367 0.358 -4.571 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.531 1.391 -2.397 1.00 0.00 H new ATOM 1057 N ARG A 72 -20.916 2.369 -3.514 1.00 0.00 N ATOM 1058 CA ARG A 72 -21.537 2.623 -2.224 1.00 0.00 C ATOM 1059 C ARG A 72 -21.062 1.610 -1.186 1.00 0.00 C ATOM 1060 O ARG A 72 -21.486 0.457 -1.189 1.00 0.00 O ATOM 1061 CB ARG A 72 -23.057 2.581 -2.353 1.00 0.00 C ATOM 1062 CG ARG A 72 -23.681 3.951 -2.536 1.00 0.00 C ATOM 1063 CD ARG A 72 -25.157 3.847 -2.866 1.00 0.00 C ATOM 1064 NE ARG A 72 -25.378 3.572 -4.282 1.00 0.00 N ATOM 1065 CZ ARG A 72 -26.410 4.046 -4.970 1.00 0.00 C ATOM 1066 NH1 ARG A 72 -27.299 4.837 -4.381 1.00 0.00 N ATOM 1067 NH2 ARG A 72 -26.537 3.756 -6.259 1.00 0.00 N ATOM 0 H ARG A 72 -21.221 1.508 -3.967 1.00 0.00 H new ATOM 0 HA ARG A 72 -21.241 3.617 -1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -23.326 1.951 -3.201 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -23.478 2.114 -1.463 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -23.551 4.536 -1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -23.165 4.484 -3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -25.608 3.056 -2.267 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -25.657 4.777 -2.594 1.00 0.00 H new ATOM 0 HE ARG A 72 -24.703 2.983 -4.770 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -27.190 5.082 -3.397 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -28.091 5.199 -4.913 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -25.842 3.169 -6.721 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -27.330 4.120 -6.788 1.00 0.00 H new ATOM 1081 N MET A 73 -20.168 2.047 -0.309 1.00 0.00 N ATOM 1082 CA MET A 73 -19.624 1.187 0.737 1.00 0.00 C ATOM 1083 C MET A 73 -20.569 1.115 1.929 1.00 0.00 C ATOM 1084 O MET A 73 -21.008 2.143 2.438 1.00 0.00 O ATOM 1085 CB MET A 73 -18.254 1.698 1.191 1.00 0.00 C ATOM 1086 CG MET A 73 -17.641 0.876 2.312 1.00 0.00 C ATOM 1087 SD MET A 73 -17.272 -0.814 1.803 1.00 0.00 S ATOM 1088 CE MET A 73 -16.984 -1.580 3.395 1.00 0.00 C ATOM 0 H MET A 73 -19.801 2.999 -0.301 1.00 0.00 H new ATOM 0 HA MET A 73 -19.511 0.185 0.322 1.00 0.00 H new ATOM 0 HB2 MET A 73 -17.575 1.699 0.339 1.00 0.00 H new ATOM 0 HB3 MET A 73 -18.352 2.732 1.521 1.00 0.00 H new ATOM 0 HG2 MET A 73 -16.725 1.358 2.653 1.00 0.00 H new ATOM 0 HG3 MET A 73 -18.325 0.856 3.160 1.00 0.00 H new ATOM 0 HE1 MET A 73 -17.232 -2.640 3.339 1.00 0.00 H new ATOM 0 HE2 MET A 73 -15.935 -1.467 3.669 1.00 0.00 H new ATOM 0 HE3 MET A 73 -17.609 -1.100 4.148 1.00 0.00 H new ATOM 1098 N LEU A 74 -20.875 -0.097 2.370 1.00 0.00 N ATOM 1099 CA LEU A 74 -21.765 -0.290 3.503 1.00 0.00 C ATOM 1100 C LEU A 74 -21.074 0.122 4.797 1.00 0.00 C ATOM 1101 O LEU A 74 -20.047 -0.441 5.179 1.00 0.00 O ATOM 1102 CB LEU A 74 -22.228 -1.745 3.592 1.00 0.00 C ATOM 1103 CG LEU A 74 -23.201 -2.048 4.735 1.00 0.00 C ATOM 1104 CD1 LEU A 74 -24.510 -1.303 4.539 1.00 0.00 C ATOM 1105 CD2 LEU A 74 -23.449 -3.544 4.840 1.00 0.00 C ATOM 0 H LEU A 74 -20.519 -0.960 1.960 1.00 0.00 H new ATOM 0 HA LEU A 74 -22.642 0.340 3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -22.703 -2.017 2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.351 -2.383 3.703 1.00 0.00 H new ATOM 0 HG LEU A 74 -22.751 -1.706 5.667 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -25.186 -1.533 5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -24.318 -0.230 4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -24.966 -1.611 3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.143 -3.741 5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.876 -3.908 3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -22.506 -4.056 5.032 1.00 0.00 H new ATOM 1117 N ALA A 75 -21.636 1.124 5.447 1.00 0.00 N ATOM 1118 CA ALA A 75 -21.097 1.633 6.694 1.00 0.00 C ATOM 1119 C ALA A 75 -21.628 0.840 7.883 1.00 0.00 C ATOM 1120 O ALA A 75 -22.517 -0.004 7.735 1.00 0.00 O ATOM 1121 CB ALA A 75 -21.440 3.106 6.842 1.00 0.00 C ATOM 0 H ALA A 75 -22.476 1.606 5.127 1.00 0.00 H new ATOM 0 HA ALA A 75 -20.013 1.520 6.674 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -21.032 3.482 7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -21.011 3.665 6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -22.523 3.229 6.842 1.00 0.00 H new ATOM 1127 N LYS A 76 -21.112 1.151 9.067 1.00 0.00 N ATOM 1128 CA LYS A 76 -21.501 0.470 10.303 1.00 0.00 C ATOM 1129 C LYS A 76 -22.874 0.939 10.810 1.00 0.00 C ATOM 1130 O LYS A 76 -23.133 0.953 12.013 1.00 0.00 O ATOM 1131 CB LYS A 76 -20.434 0.717 11.377 1.00 0.00 C ATOM 1132 CG LYS A 76 -20.429 -0.312 12.499 1.00 0.00 C ATOM 1133 CD LYS A 76 -19.801 0.244 13.768 1.00 0.00 C ATOM 1134 CE LYS A 76 -20.669 1.323 14.396 1.00 0.00 C ATOM 1135 NZ LYS A 76 -20.138 1.776 15.708 1.00 0.00 N ATOM 0 H LYS A 76 -20.413 1.881 9.200 1.00 0.00 H new ATOM 0 HA LYS A 76 -21.579 -0.596 10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -19.453 0.726 10.903 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -20.589 1.706 11.807 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -21.451 -0.629 12.707 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.880 -1.197 12.179 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.649 -0.564 14.484 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.818 0.655 13.538 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -20.734 2.174 13.719 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -21.682 0.942 14.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -20.761 2.511 16.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.099 0.970 16.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -19.182 2.164 15.580 1.00 0.00 H new ATOM 1149 N HIS A 77 -23.756 1.313 9.893 1.00 0.00 N ATOM 1150 CA HIS A 77 -25.094 1.771 10.262 1.00 0.00 C ATOM 1151 C HIS A 77 -26.052 1.660 9.081 1.00 0.00 C ATOM 1152 O HIS A 77 -27.027 2.403 8.987 1.00 0.00 O ATOM 1153 CB HIS A 77 -25.069 3.215 10.801 1.00 0.00 C ATOM 1154 CG HIS A 77 -24.351 4.206 9.932 1.00 0.00 C ATOM 1155 ND1 HIS A 77 -24.979 4.958 8.962 1.00 0.00 N ATOM 1156 CD2 HIS A 77 -23.049 4.578 9.904 1.00 0.00 C ATOM 1157 CE1 HIS A 77 -24.095 5.747 8.377 1.00 0.00 C ATOM 1158 NE2 HIS A 77 -22.918 5.535 8.930 1.00 0.00 N ATOM 0 H HIS A 77 -23.572 1.309 8.890 1.00 0.00 H new ATOM 0 HA HIS A 77 -25.452 1.122 11.061 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -26.096 3.553 10.939 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -24.600 3.211 11.785 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -22.260 4.192 10.532 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -24.302 6.447 7.581 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -22.050 6.006 8.675 1.00 0.00 H new ATOM 1167 N GLY A 78 -25.766 0.730 8.177 1.00 0.00 N ATOM 1168 CA GLY A 78 -26.621 0.528 7.015 1.00 0.00 C ATOM 1169 C GLY A 78 -26.477 1.617 5.966 1.00 0.00 C ATOM 1170 O GLY A 78 -27.143 1.579 4.931 1.00 0.00 O ATOM 0 H GLY A 78 -24.957 0.110 8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.386 -0.436 6.563 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -27.660 0.482 7.341 1.00 0.00 H new ATOM 1174 N GLY A 79 -25.610 2.585 6.229 1.00 0.00 N ATOM 1175 CA GLY A 79 -25.397 3.666 5.287 1.00 0.00 C ATOM 1176 C GLY A 79 -24.470 3.257 4.168 1.00 0.00 C ATOM 1177 O GLY A 79 -23.797 2.232 4.265 1.00 0.00 O ATOM 0 H GLY A 79 -25.049 2.641 7.079 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -26.354 3.979 4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.979 4.527 5.809 1.00 0.00 H new ATOM 1181 N TYR A 80 -24.421 4.052 3.112 1.00 0.00 N ATOM 1182 CA TYR A 80 -23.566 3.740 1.976 1.00 0.00 C ATOM 1183 C TYR A 80 -22.659 4.916 1.626 1.00 0.00 C ATOM 1184 O TYR A 80 -23.110 5.931 1.107 1.00 0.00 O ATOM 1185 CB TYR A 80 -24.415 3.347 0.767 1.00 0.00 C ATOM 1186 CG TYR A 80 -25.011 1.958 0.862 1.00 0.00 C ATOM 1187 CD1 TYR A 80 -24.224 0.830 0.673 1.00 0.00 C ATOM 1188 CD2 TYR A 80 -26.359 1.777 1.140 1.00 0.00 C ATOM 1189 CE1 TYR A 80 -24.764 -0.441 0.757 1.00 0.00 C ATOM 1190 CE2 TYR A 80 -26.907 0.511 1.226 1.00 0.00 C ATOM 1191 CZ TYR A 80 -26.107 -0.594 1.034 1.00 0.00 C ATOM 1192 OH TYR A 80 -26.654 -1.858 1.115 1.00 0.00 O ATOM 0 H TYR A 80 -24.959 4.913 3.016 1.00 0.00 H new ATOM 0 HA TYR A 80 -22.932 2.898 2.253 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -25.222 4.071 0.651 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -23.801 3.408 -0.131 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -23.172 0.947 0.457 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -26.990 2.640 1.292 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -24.138 -1.308 0.607 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -27.958 0.389 1.443 1.00 0.00 H new ATOM 0 HH TYR A 80 -27.610 -1.788 1.318 1.00 0.00 H new ATOM 1202 N VAL A 81 -21.376 4.770 1.918 1.00 0.00 N ATOM 1203 CA VAL A 81 -20.398 5.817 1.636 1.00 0.00 C ATOM 1204 C VAL A 81 -19.875 5.688 0.208 1.00 0.00 C ATOM 1205 O VAL A 81 -19.478 4.605 -0.218 1.00 0.00 O ATOM 1206 CB VAL A 81 -19.203 5.764 2.615 1.00 0.00 C ATOM 1207 CG1 VAL A 81 -18.549 7.132 2.733 1.00 0.00 C ATOM 1208 CG2 VAL A 81 -19.635 5.254 3.981 1.00 0.00 C ATOM 0 H VAL A 81 -20.984 3.934 2.352 1.00 0.00 H new ATOM 0 HA VAL A 81 -20.908 6.772 1.761 1.00 0.00 H new ATOM 0 HB VAL A 81 -18.470 5.064 2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.710 7.076 3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.190 7.449 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -19.278 7.853 3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -18.774 5.227 4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -20.394 5.918 4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -20.047 4.250 3.881 1.00 0.00 H new ATOM 1218 N TRP A 82 -19.877 6.790 -0.525 1.00 0.00 N ATOM 1219 CA TRP A 82 -19.411 6.789 -1.904 1.00 0.00 C ATOM 1220 C TRP A 82 -17.894 6.919 -1.971 1.00 0.00 C ATOM 1221 O TRP A 82 -17.326 7.930 -1.550 1.00 0.00 O ATOM 1222 CB TRP A 82 -20.076 7.918 -2.690 1.00 0.00 C ATOM 1223 CG TRP A 82 -21.486 7.609 -3.090 1.00 0.00 C ATOM 1224 CD1 TRP A 82 -22.602 7.688 -2.307 1.00 0.00 C ATOM 1225 CD2 TRP A 82 -21.928 7.167 -4.377 1.00 0.00 C ATOM 1226 NE1 TRP A 82 -23.712 7.325 -3.032 1.00 0.00 N ATOM 1227 CE2 TRP A 82 -23.324 7.000 -4.306 1.00 0.00 C ATOM 1228 CE3 TRP A 82 -21.278 6.897 -5.583 1.00 0.00 C ATOM 1229 CZ2 TRP A 82 -24.078 6.577 -5.395 1.00 0.00 C ATOM 1230 CZ3 TRP A 82 -22.028 6.476 -6.663 1.00 0.00 C ATOM 1231 CH2 TRP A 82 -23.415 6.319 -6.563 1.00 0.00 C ATOM 0 H TRP A 82 -20.196 7.698 -0.188 1.00 0.00 H new ATOM 0 HA TRP A 82 -19.688 5.836 -2.354 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -20.067 8.826 -2.087 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -19.488 8.124 -3.585 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -22.611 7.991 -1.270 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -24.669 7.301 -2.679 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -20.208 7.015 -5.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -25.149 6.457 -5.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -21.536 6.264 -7.601 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -23.973 5.987 -7.426 1.00 0.00 H new ATOM 1242 N LEU A 83 -17.242 5.889 -2.498 1.00 0.00 N ATOM 1243 CA LEU A 83 -15.788 5.876 -2.616 1.00 0.00 C ATOM 1244 C LEU A 83 -15.345 5.250 -3.933 1.00 0.00 C ATOM 1245 O LEU A 83 -16.004 4.351 -4.456 1.00 0.00 O ATOM 1246 CB LEU A 83 -15.157 5.077 -1.469 1.00 0.00 C ATOM 1247 CG LEU A 83 -15.183 5.742 -0.095 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -16.206 5.066 0.804 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -13.800 5.698 0.539 1.00 0.00 C ATOM 0 H LEU A 83 -17.699 5.049 -2.852 1.00 0.00 H new ATOM 0 HA LEU A 83 -15.457 6.914 -2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -15.670 4.118 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.120 4.865 -1.728 1.00 0.00 H new ATOM 0 HG LEU A 83 -15.473 6.785 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -16.211 5.553 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -17.195 5.146 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -15.946 4.014 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.833 6.176 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.484 4.661 0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.091 6.226 -0.098 1.00 0.00 H new ATOM 1261 N GLU A 84 -14.232 5.742 -4.459 1.00 0.00 N ATOM 1262 CA GLU A 84 -13.643 5.215 -5.683 1.00 0.00 C ATOM 1263 C GLU A 84 -12.335 4.529 -5.311 1.00 0.00 C ATOM 1264 O GLU A 84 -11.502 5.115 -4.622 1.00 0.00 O ATOM 1265 CB GLU A 84 -13.409 6.328 -6.715 1.00 0.00 C ATOM 1266 CG GLU A 84 -12.946 7.644 -6.113 1.00 0.00 C ATOM 1267 CD GLU A 84 -12.738 8.722 -7.156 1.00 0.00 C ATOM 1268 OE1 GLU A 84 -13.742 9.268 -7.661 1.00 0.00 O ATOM 1269 OE2 GLU A 84 -11.569 9.029 -7.482 1.00 0.00 O ATOM 0 H GLU A 84 -13.712 6.518 -4.050 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.324 4.501 -6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.666 5.989 -7.437 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.334 6.498 -7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.682 7.985 -5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.014 7.483 -5.571 1.00 0.00 H new ATOM 1276 N THR A 85 -12.151 3.296 -5.744 1.00 0.00 N ATOM 1277 CA THR A 85 -10.958 2.554 -5.377 1.00 0.00 C ATOM 1278 C THR A 85 -10.034 2.251 -6.555 1.00 0.00 C ATOM 1279 O THR A 85 -10.474 1.839 -7.632 1.00 0.00 O ATOM 1280 CB THR A 85 -11.344 1.232 -4.686 1.00 0.00 C ATOM 1281 OG1 THR A 85 -12.221 1.501 -3.586 1.00 0.00 O ATOM 1282 CG2 THR A 85 -10.116 0.493 -4.179 1.00 0.00 C ATOM 0 H THR A 85 -12.804 2.791 -6.344 1.00 0.00 H new ATOM 0 HA THR A 85 -10.405 3.200 -4.695 1.00 0.00 H new ATOM 0 HB THR A 85 -11.846 0.602 -5.421 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.703 1.529 -2.754 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.423 -0.435 -3.697 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.456 0.266 -5.017 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.587 1.118 -3.459 1.00 0.00 H new ATOM 1290 N GLN A 86 -8.748 2.474 -6.325 1.00 0.00 N ATOM 1291 CA GLN A 86 -7.714 2.191 -7.304 1.00 0.00 C ATOM 1292 C GLN A 86 -6.957 0.949 -6.840 1.00 0.00 C ATOM 1293 O GLN A 86 -6.252 0.990 -5.827 1.00 0.00 O ATOM 1294 CB GLN A 86 -6.758 3.380 -7.438 1.00 0.00 C ATOM 1295 CG GLN A 86 -5.896 3.327 -8.688 1.00 0.00 C ATOM 1296 CD GLN A 86 -4.911 4.477 -8.775 1.00 0.00 C ATOM 1297 OE1 GLN A 86 -5.154 5.566 -8.253 1.00 0.00 O ATOM 1298 NE2 GLN A 86 -3.793 4.241 -9.443 1.00 0.00 N ATOM 0 H GLN A 86 -8.393 2.858 -5.449 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.162 2.018 -8.282 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.338 4.303 -7.445 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.111 3.416 -6.561 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -5.349 2.384 -8.706 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.539 3.339 -9.568 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.632 3.324 -9.860 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.093 4.976 -9.541 1.00 0.00 H new ATOM 1307 N GLY A 87 -7.119 -0.152 -7.559 1.00 0.00 N ATOM 1308 CA GLY A 87 -6.474 -1.392 -7.171 1.00 0.00 C ATOM 1309 C GLY A 87 -5.157 -1.639 -7.878 1.00 0.00 C ATOM 1310 O GLY A 87 -5.043 -1.443 -9.087 1.00 0.00 O ATOM 0 H GLY A 87 -7.686 -0.210 -8.405 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.302 -1.381 -6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.149 -2.223 -7.378 1.00 0.00 H new ATOM 1314 N THR A 88 -4.161 -2.056 -7.111 1.00 0.00 N ATOM 1315 CA THR A 88 -2.839 -2.361 -7.636 1.00 0.00 C ATOM 1316 C THR A 88 -2.263 -3.579 -6.910 1.00 0.00 C ATOM 1317 O THR A 88 -2.020 -3.539 -5.707 1.00 0.00 O ATOM 1318 CB THR A 88 -1.882 -1.161 -7.480 1.00 0.00 C ATOM 1319 OG1 THR A 88 -2.447 -0.002 -8.108 1.00 0.00 O ATOM 1320 CG2 THR A 88 -0.525 -1.460 -8.096 1.00 0.00 C ATOM 0 H THR A 88 -4.247 -2.193 -6.104 1.00 0.00 H new ATOM 0 HA THR A 88 -2.939 -2.579 -8.699 1.00 0.00 H new ATOM 0 HB THR A 88 -1.745 -0.973 -6.415 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.836 0.757 -8.005 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.129 -0.597 -7.972 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.083 -2.325 -7.601 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.647 -1.673 -9.158 1.00 0.00 H new ATOM 1328 N VAL A 89 -2.068 -4.663 -7.639 1.00 0.00 N ATOM 1329 CA VAL A 89 -1.536 -5.883 -7.061 1.00 0.00 C ATOM 1330 C VAL A 89 -0.037 -5.978 -7.294 1.00 0.00 C ATOM 1331 O VAL A 89 0.429 -5.983 -8.435 1.00 0.00 O ATOM 1332 CB VAL A 89 -2.220 -7.135 -7.653 1.00 0.00 C ATOM 1333 CG1 VAL A 89 -1.546 -8.403 -7.159 1.00 0.00 C ATOM 1334 CG2 VAL A 89 -3.698 -7.153 -7.307 1.00 0.00 C ATOM 0 H VAL A 89 -2.271 -4.723 -8.637 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.738 -5.846 -5.991 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.119 -7.093 -8.738 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.045 -9.271 -7.589 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.499 -8.400 -7.461 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.610 -8.449 -6.072 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.161 -8.043 -7.734 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.818 -7.165 -6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.178 -6.264 -7.715 1.00 0.00 H new ATOM 1344 N ILE A 90 0.716 -6.038 -6.212 1.00 0.00 N ATOM 1345 CA ILE A 90 2.153 -6.159 -6.310 1.00 0.00 C ATOM 1346 C ILE A 90 2.523 -7.635 -6.424 1.00 0.00 C ATOM 1347 O ILE A 90 2.095 -8.460 -5.614 1.00 0.00 O ATOM 1348 CB ILE A 90 2.877 -5.504 -5.107 1.00 0.00 C ATOM 1349 CG1 ILE A 90 4.395 -5.622 -5.268 1.00 0.00 C ATOM 1350 CG2 ILE A 90 2.427 -6.116 -3.786 1.00 0.00 C ATOM 1351 CD1 ILE A 90 4.945 -4.803 -6.417 1.00 0.00 C ATOM 0 H ILE A 90 0.355 -6.005 -5.259 1.00 0.00 H new ATOM 0 HA ILE A 90 2.482 -5.625 -7.201 1.00 0.00 H new ATOM 0 HB ILE A 90 2.609 -4.448 -5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.876 -5.305 -4.343 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.656 -6.669 -5.421 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.954 -5.634 -2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.354 -5.970 -3.664 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.651 -7.183 -3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.026 -4.934 -6.472 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.491 -5.135 -7.351 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.715 -3.750 -6.256 1.00 0.00 H new ATOM 1363 N TYR A 91 3.271 -7.972 -7.459 1.00 0.00 N ATOM 1364 CA TYR A 91 3.679 -9.349 -7.678 1.00 0.00 C ATOM 1365 C TYR A 91 5.017 -9.629 -7.013 1.00 0.00 C ATOM 1366 O TYR A 91 5.916 -8.788 -7.024 1.00 0.00 O ATOM 1367 CB TYR A 91 3.753 -9.654 -9.175 1.00 0.00 C ATOM 1368 CG TYR A 91 2.400 -9.679 -9.849 1.00 0.00 C ATOM 1369 CD1 TYR A 91 1.655 -10.849 -9.908 1.00 0.00 C ATOM 1370 CD2 TYR A 91 1.866 -8.533 -10.423 1.00 0.00 C ATOM 1371 CE1 TYR A 91 0.418 -10.877 -10.521 1.00 0.00 C ATOM 1372 CE2 TYR A 91 0.630 -8.552 -11.037 1.00 0.00 C ATOM 1373 CZ TYR A 91 -0.090 -9.726 -11.083 1.00 0.00 C ATOM 1374 OH TYR A 91 -1.320 -9.751 -11.700 1.00 0.00 O ATOM 0 H TYR A 91 3.608 -7.313 -8.160 1.00 0.00 H new ATOM 0 HA TYR A 91 2.931 -10.001 -7.227 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.379 -8.905 -9.661 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.240 -10.618 -9.318 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.050 -11.752 -9.467 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.427 -7.611 -10.388 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.148 -11.796 -10.560 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.229 -7.652 -11.479 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.891 -10.418 -11.265 1.00 0.00 H new ATOM 1384 N ASN A 92 5.128 -10.808 -6.421 1.00 0.00 N ATOM 1385 CA ASN A 92 6.348 -11.227 -5.744 1.00 0.00 C ATOM 1386 C ASN A 92 7.457 -11.496 -6.760 1.00 0.00 C ATOM 1387 O ASN A 92 7.326 -12.375 -7.616 1.00 0.00 O ATOM 1388 CB ASN A 92 6.069 -12.477 -4.902 1.00 0.00 C ATOM 1389 CG ASN A 92 7.334 -13.141 -4.403 1.00 0.00 C ATOM 1390 OD1 ASN A 92 7.813 -14.103 -4.993 1.00 0.00 O ATOM 1391 ND2 ASN A 92 7.891 -12.630 -3.323 1.00 0.00 N ATOM 0 H ASN A 92 4.379 -11.500 -6.395 1.00 0.00 H new ATOM 0 HA ASN A 92 6.682 -10.426 -5.084 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.447 -12.204 -4.050 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.500 -13.191 -5.497 1.00 0.00 H new ATOM 0 HD21 ASN A 92 8.750 -13.036 -2.951 1.00 0.00 H new ATOM 0 HD22 ASN A 92 7.463 -11.829 -2.859 1.00 0.00 H new ATOM 1398 N PRO A 93 8.573 -10.750 -6.664 1.00 0.00 N ATOM 1399 CA PRO A 93 9.709 -10.876 -7.588 1.00 0.00 C ATOM 1400 C PRO A 93 10.604 -12.082 -7.295 1.00 0.00 C ATOM 1401 O PRO A 93 11.830 -11.975 -7.299 1.00 0.00 O ATOM 1402 CB PRO A 93 10.477 -9.574 -7.358 1.00 0.00 C ATOM 1403 CG PRO A 93 10.212 -9.233 -5.933 1.00 0.00 C ATOM 1404 CD PRO A 93 8.819 -9.722 -5.633 1.00 0.00 C ATOM 0 HA PRO A 93 9.377 -11.034 -8.614 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.543 -9.704 -7.544 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.131 -8.785 -8.026 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.941 -9.709 -5.277 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.290 -8.158 -5.769 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.750 -10.139 -4.628 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.090 -8.914 -5.693 1.00 0.00 H new ATOM 1412 N ARG A 94 9.986 -13.223 -7.036 1.00 0.00 N ATOM 1413 CA ARG A 94 10.717 -14.451 -6.759 1.00 0.00 C ATOM 1414 C ARG A 94 9.933 -15.649 -7.272 1.00 0.00 C ATOM 1415 O ARG A 94 10.444 -16.458 -8.041 1.00 0.00 O ATOM 1416 CB ARG A 94 10.991 -14.590 -5.260 1.00 0.00 C ATOM 1417 CG ARG A 94 12.416 -14.233 -4.872 1.00 0.00 C ATOM 1418 CD ARG A 94 12.519 -13.856 -3.403 1.00 0.00 C ATOM 1419 NE ARG A 94 12.011 -12.508 -3.150 1.00 0.00 N ATOM 1420 CZ ARG A 94 10.996 -12.225 -2.334 1.00 0.00 C ATOM 1421 NH1 ARG A 94 10.361 -13.186 -1.675 1.00 0.00 N ATOM 1422 NH2 ARG A 94 10.615 -10.970 -2.177 1.00 0.00 N ATOM 0 H ARG A 94 8.971 -13.325 -7.012 1.00 0.00 H new ATOM 0 HA ARG A 94 11.676 -14.411 -7.276 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.301 -13.949 -4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.785 -15.616 -4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.072 -15.079 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.764 -13.403 -5.486 1.00 0.00 H new ATOM 0 HD2 ARG A 94 11.959 -14.574 -2.804 1.00 0.00 H new ATOM 0 HD3 ARG A 94 13.560 -13.918 -3.084 1.00 0.00 H new ATOM 0 HE ARG A 94 12.465 -11.731 -3.631 1.00 0.00 H new ATOM 0 HH11 ARG A 94 10.648 -14.158 -1.789 1.00 0.00 H new ATOM 0 HH12 ARG A 94 9.586 -12.953 -1.054 1.00 0.00 H new ATOM 0 HH21 ARG A 94 11.097 -10.224 -2.679 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.839 -10.747 -1.554 1.00 0.00 H new ATOM 1436 N ASN A 95 8.684 -15.749 -6.845 1.00 0.00 N ATOM 1437 CA ASN A 95 7.814 -16.837 -7.267 1.00 0.00 C ATOM 1438 C ASN A 95 6.904 -16.380 -8.400 1.00 0.00 C ATOM 1439 O ASN A 95 6.214 -17.192 -9.020 1.00 0.00 O ATOM 1440 CB ASN A 95 6.974 -17.338 -6.089 1.00 0.00 C ATOM 1441 CG ASN A 95 7.574 -18.558 -5.420 1.00 0.00 C ATOM 1442 OD1 ASN A 95 8.405 -18.443 -4.519 1.00 0.00 O ATOM 1443 ND2 ASN A 95 7.147 -19.736 -5.846 1.00 0.00 N ATOM 0 H ASN A 95 8.248 -15.087 -6.203 1.00 0.00 H new ATOM 0 HA ASN A 95 8.437 -17.656 -7.626 1.00 0.00 H new ATOM 0 HB2 ASN A 95 6.873 -16.539 -5.355 1.00 0.00 H new ATOM 0 HB3 ASN A 95 5.970 -17.578 -6.440 1.00 0.00 H new ATOM 0 HD21 ASN A 95 7.508 -20.592 -5.425 1.00 0.00 H new ATOM 0 HD22 ASN A 95 6.457 -19.788 -6.595 1.00 0.00 H new ATOM 1450 N LEU A 96 6.913 -15.072 -8.654 1.00 0.00 N ATOM 1451 CA LEU A 96 6.105 -14.465 -9.709 1.00 0.00 C ATOM 1452 C LEU A 96 4.624 -14.763 -9.500 1.00 0.00 C ATOM 1453 O LEU A 96 3.989 -15.451 -10.303 1.00 0.00 O ATOM 1454 CB LEU A 96 6.566 -14.930 -11.096 1.00 0.00 C ATOM 1455 CG LEU A 96 7.599 -14.024 -11.775 1.00 0.00 C ATOM 1456 CD1 LEU A 96 7.049 -12.613 -11.940 1.00 0.00 C ATOM 1457 CD2 LEU A 96 8.897 -13.995 -10.979 1.00 0.00 C ATOM 0 H LEU A 96 7.481 -14.404 -8.133 1.00 0.00 H new ATOM 0 HA LEU A 96 6.244 -13.385 -9.656 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.988 -15.931 -11.005 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.693 -15.009 -11.744 1.00 0.00 H new ATOM 0 HG LEU A 96 7.810 -14.432 -12.763 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.797 -11.985 -12.424 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.149 -12.643 -12.554 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.807 -12.200 -10.961 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.616 -13.346 -11.479 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.701 -13.615 -9.977 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.305 -15.004 -10.911 1.00 0.00 H new ATOM 1469 N GLN A 97 4.093 -14.252 -8.397 1.00 0.00 N ATOM 1470 CA GLN A 97 2.692 -14.434 -8.040 1.00 0.00 C ATOM 1471 C GLN A 97 2.202 -13.218 -7.262 1.00 0.00 C ATOM 1472 O GLN A 97 3.008 -12.515 -6.654 1.00 0.00 O ATOM 1473 CB GLN A 97 2.508 -15.703 -7.195 1.00 0.00 C ATOM 1474 CG GLN A 97 2.324 -16.971 -8.017 1.00 0.00 C ATOM 1475 CD GLN A 97 1.125 -16.891 -8.942 1.00 0.00 C ATOM 1476 OE1 GLN A 97 0.009 -17.256 -8.567 1.00 0.00 O ATOM 1477 NE2 GLN A 97 1.344 -16.405 -10.152 1.00 0.00 N ATOM 0 H GLN A 97 4.622 -13.699 -7.723 1.00 0.00 H new ATOM 0 HA GLN A 97 2.109 -14.542 -8.954 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.376 -15.825 -6.547 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.641 -15.573 -6.547 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.223 -17.152 -8.606 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.206 -17.822 -7.346 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.284 -16.114 -10.422 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.573 -16.321 -10.815 1.00 0.00 H new ATOM 1486 N PRO A 98 0.887 -12.936 -7.289 1.00 0.00 N ATOM 1487 CA PRO A 98 0.305 -11.803 -6.561 1.00 0.00 C ATOM 1488 C PRO A 98 0.607 -11.882 -5.067 1.00 0.00 C ATOM 1489 O PRO A 98 0.247 -12.856 -4.399 1.00 0.00 O ATOM 1490 CB PRO A 98 -1.204 -11.932 -6.810 1.00 0.00 C ATOM 1491 CG PRO A 98 -1.406 -13.316 -7.330 1.00 0.00 C ATOM 1492 CD PRO A 98 -0.134 -13.687 -8.033 1.00 0.00 C ATOM 0 HA PRO A 98 0.713 -10.850 -6.897 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -1.768 -11.772 -5.891 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -1.548 -11.189 -7.529 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -1.619 -14.010 -6.517 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -2.254 -13.356 -8.013 1.00 0.00 H new ATOM 0 HD2 PRO A 98 0.049 -14.761 -7.997 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.157 -13.403 -9.085 1.00 0.00 H new ATOM 1500 N GLN A 99 1.275 -10.861 -4.551 1.00 0.00 N ATOM 1501 CA GLN A 99 1.639 -10.829 -3.144 1.00 0.00 C ATOM 1502 C GLN A 99 0.596 -10.085 -2.317 1.00 0.00 C ATOM 1503 O GLN A 99 0.007 -10.648 -1.395 1.00 0.00 O ATOM 1504 CB GLN A 99 3.009 -10.174 -2.959 1.00 0.00 C ATOM 1505 CG GLN A 99 3.554 -10.312 -1.549 1.00 0.00 C ATOM 1506 CD GLN A 99 3.818 -11.756 -1.175 1.00 0.00 C ATOM 1507 OE1 GLN A 99 2.944 -12.449 -0.649 1.00 0.00 O ATOM 1508 NE2 GLN A 99 5.025 -12.218 -1.443 1.00 0.00 N ATOM 0 H GLN A 99 1.575 -10.045 -5.085 1.00 0.00 H new ATOM 0 HA GLN A 99 1.684 -11.860 -2.793 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.715 -10.620 -3.659 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.935 -9.116 -3.211 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.478 -9.741 -1.461 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.844 -9.880 -0.843 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.718 -11.610 -1.879 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.264 -13.183 -1.214 1.00 0.00 H new ATOM 1517 N CYS A 100 0.374 -8.818 -2.644 1.00 0.00 N ATOM 1518 CA CYS A 100 -0.587 -8.007 -1.914 1.00 0.00 C ATOM 1519 C CYS A 100 -1.444 -7.183 -2.858 1.00 0.00 C ATOM 1520 O CYS A 100 -0.947 -6.611 -3.833 1.00 0.00 O ATOM 1521 CB CYS A 100 0.134 -7.069 -0.945 1.00 0.00 C ATOM 1522 SG CYS A 100 1.460 -7.847 0.001 1.00 0.00 S ATOM 0 H CYS A 100 0.845 -8.333 -3.407 1.00 0.00 H new ATOM 0 HA CYS A 100 -1.232 -8.687 -1.357 1.00 0.00 H new ATOM 0 HB2 CYS A 100 0.549 -6.233 -1.509 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -0.596 -6.654 -0.250 1.00 0.00 H new ATOM 0 HG CYS A 100 2.005 -6.968 0.788 1.00 0.00 H new ATOM 1528 N ILE A 101 -2.731 -7.133 -2.566 1.00 0.00 N ATOM 1529 CA ILE A 101 -3.668 -6.358 -3.353 1.00 0.00 C ATOM 1530 C ILE A 101 -3.842 -4.991 -2.706 1.00 0.00 C ATOM 1531 O ILE A 101 -4.562 -4.850 -1.713 1.00 0.00 O ATOM 1532 CB ILE A 101 -5.044 -7.054 -3.459 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -4.895 -8.446 -4.075 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -6.013 -6.209 -4.278 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -6.174 -9.257 -4.055 1.00 0.00 C ATOM 0 H ILE A 101 -3.153 -7.627 -1.780 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.267 -6.260 -4.362 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.450 -7.163 -2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -4.555 -8.344 -5.106 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.120 -8.992 -3.537 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.975 -6.717 -4.340 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.145 -5.239 -3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.612 -6.066 -5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -5.994 -10.232 -4.508 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.504 -9.391 -3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.946 -8.733 -4.618 1.00 0.00 H new ATOM 1547 N MET A 102 -3.148 -4.000 -3.237 1.00 0.00 N ATOM 1548 CA MET A 102 -3.224 -2.646 -2.713 1.00 0.00 C ATOM 1549 C MET A 102 -4.455 -1.951 -3.265 1.00 0.00 C ATOM 1550 O MET A 102 -4.688 -1.949 -4.473 1.00 0.00 O ATOM 1551 CB MET A 102 -1.967 -1.852 -3.082 1.00 0.00 C ATOM 1552 CG MET A 102 -0.687 -2.411 -2.479 1.00 0.00 C ATOM 1553 SD MET A 102 0.803 -1.629 -3.130 1.00 0.00 S ATOM 1554 CE MET A 102 0.470 0.096 -2.781 1.00 0.00 C ATOM 0 H MET A 102 -2.522 -4.108 -4.035 1.00 0.00 H new ATOM 0 HA MET A 102 -3.293 -2.697 -1.626 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.867 -1.832 -4.167 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.091 -0.820 -2.754 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.715 -2.281 -1.397 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.640 -3.483 -2.670 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.384 0.676 -2.910 1.00 0.00 H new ATOM 0 HE2 MET A 102 -0.294 0.465 -3.465 1.00 0.00 H new ATOM 0 HE3 MET A 102 0.118 0.198 -1.755 1.00 0.00 H new ATOM 1564 N CYS A 103 -5.257 -1.389 -2.383 1.00 0.00 N ATOM 1565 CA CYS A 103 -6.461 -0.693 -2.801 1.00 0.00 C ATOM 1566 C CYS A 103 -6.548 0.683 -2.155 1.00 0.00 C ATOM 1567 O CYS A 103 -6.736 0.801 -0.942 1.00 0.00 O ATOM 1568 CB CYS A 103 -7.701 -1.520 -2.457 1.00 0.00 C ATOM 1569 SG CYS A 103 -7.760 -3.131 -3.274 1.00 0.00 S ATOM 0 H CYS A 103 -5.099 -1.399 -1.375 1.00 0.00 H new ATOM 0 HA CYS A 103 -6.416 -0.559 -3.882 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.737 -1.670 -1.378 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.591 -0.953 -2.730 1.00 0.00 H new ATOM 0 HG CYS A 103 -8.722 -3.841 -2.765 1.00 0.00 H new ATOM 1575 N VAL A 104 -6.382 1.714 -2.970 1.00 0.00 N ATOM 1576 CA VAL A 104 -6.465 3.085 -2.496 1.00 0.00 C ATOM 1577 C VAL A 104 -7.905 3.552 -2.623 1.00 0.00 C ATOM 1578 O VAL A 104 -8.445 3.612 -3.728 1.00 0.00 O ATOM 1579 CB VAL A 104 -5.544 4.035 -3.290 1.00 0.00 C ATOM 1580 CG1 VAL A 104 -5.398 5.363 -2.565 1.00 0.00 C ATOM 1581 CG2 VAL A 104 -4.181 3.400 -3.522 1.00 0.00 C ATOM 0 H VAL A 104 -6.188 1.625 -3.967 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.135 3.108 -1.457 1.00 0.00 H new ATOM 0 HB VAL A 104 -6.002 4.220 -4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.745 6.021 -3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.378 5.828 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.966 5.194 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.550 4.089 -4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.714 3.180 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.302 2.476 -4.087 1.00 0.00 H new ATOM 1591 N ASN A 105 -8.530 3.859 -1.501 1.00 0.00 N ATOM 1592 CA ASN A 105 -9.921 4.280 -1.505 1.00 0.00 C ATOM 1593 C ASN A 105 -10.041 5.791 -1.384 1.00 0.00 C ATOM 1594 O ASN A 105 -9.694 6.374 -0.355 1.00 0.00 O ATOM 1595 CB ASN A 105 -10.684 3.597 -0.368 1.00 0.00 C ATOM 1596 CG ASN A 105 -10.501 2.091 -0.369 1.00 0.00 C ATOM 1597 OD1 ASN A 105 -11.182 1.368 -1.095 1.00 0.00 O ATOM 1598 ND2 ASN A 105 -9.576 1.607 0.447 1.00 0.00 N ATOM 0 H ASN A 105 -8.099 3.825 -0.577 1.00 0.00 H new ATOM 0 HA ASN A 105 -10.359 3.983 -2.458 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -10.345 4.000 0.586 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -11.745 3.831 -0.455 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -9.408 0.602 0.489 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.032 2.240 1.034 1.00 0.00 H new ATOM 1605 N TYR A 106 -10.521 6.413 -2.449 1.00 0.00 N ATOM 1606 CA TYR A 106 -10.708 7.851 -2.486 1.00 0.00 C ATOM 1607 C TYR A 106 -12.163 8.186 -2.178 1.00 0.00 C ATOM 1608 O TYR A 106 -13.073 7.669 -2.828 1.00 0.00 O ATOM 1609 CB TYR A 106 -10.346 8.407 -3.867 1.00 0.00 C ATOM 1610 CG TYR A 106 -8.953 8.059 -4.351 1.00 0.00 C ATOM 1611 CD1 TYR A 106 -8.712 6.885 -5.058 1.00 0.00 C ATOM 1612 CD2 TYR A 106 -7.885 8.913 -4.116 1.00 0.00 C ATOM 1613 CE1 TYR A 106 -7.445 6.574 -5.514 1.00 0.00 C ATOM 1614 CE2 TYR A 106 -6.617 8.610 -4.572 1.00 0.00 C ATOM 1615 CZ TYR A 106 -6.401 7.440 -5.270 1.00 0.00 C ATOM 1616 OH TYR A 106 -5.137 7.136 -5.727 1.00 0.00 O ATOM 0 H TYR A 106 -10.791 5.935 -3.309 1.00 0.00 H new ATOM 0 HA TYR A 106 -10.055 8.304 -1.740 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -11.070 8.036 -4.593 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -10.446 9.492 -3.843 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.528 6.206 -5.254 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.048 9.829 -3.568 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -7.274 5.657 -6.059 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -5.797 9.287 -4.383 1.00 0.00 H new ATOM 0 HH TYR A 106 -5.205 6.606 -6.549 1.00 0.00 H new ATOM 1626 N VAL A 107 -12.386 9.032 -1.190 1.00 0.00 N ATOM 1627 CA VAL A 107 -13.737 9.421 -0.825 1.00 0.00 C ATOM 1628 C VAL A 107 -13.987 10.879 -1.203 1.00 0.00 C ATOM 1629 O VAL A 107 -13.100 11.725 -1.071 1.00 0.00 O ATOM 1630 CB VAL A 107 -14.006 9.195 0.683 1.00 0.00 C ATOM 1631 CG1 VAL A 107 -13.137 10.097 1.542 1.00 0.00 C ATOM 1632 CG2 VAL A 107 -15.479 9.395 1.008 1.00 0.00 C ATOM 0 H VAL A 107 -11.652 9.462 -0.627 1.00 0.00 H new ATOM 0 HA VAL A 107 -14.430 8.789 -1.380 1.00 0.00 H new ATOM 0 HB VAL A 107 -13.743 8.163 0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.351 9.913 2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -12.086 9.887 1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.349 11.140 1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -15.642 9.231 2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -15.774 10.412 0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -16.077 8.686 0.436 1.00 0.00 H new ATOM 1642 N LEU A 108 -15.183 11.157 -1.702 1.00 0.00 N ATOM 1643 CA LEU A 108 -15.553 12.507 -2.104 1.00 0.00 C ATOM 1644 C LEU A 108 -16.964 12.827 -1.636 1.00 0.00 C ATOM 1645 O LEU A 108 -17.171 13.744 -0.839 1.00 0.00 O ATOM 1646 CB LEU A 108 -15.447 12.667 -3.625 1.00 0.00 C ATOM 1647 CG LEU A 108 -14.033 12.915 -4.156 1.00 0.00 C ATOM 1648 CD1 LEU A 108 -14.023 12.873 -5.676 1.00 0.00 C ATOM 1649 CD2 LEU A 108 -13.500 14.250 -3.650 1.00 0.00 C ATOM 0 H LEU A 108 -15.917 10.462 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 108 -14.861 13.208 -1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -15.843 11.768 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -16.084 13.496 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.380 12.125 -3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.011 13.051 -6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.363 11.894 -6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.688 13.643 -6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.494 14.410 -4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -14.152 15.055 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -13.472 14.241 -2.560 1.00 0.00 H new ATOM 1661 N SER A 109 -17.927 12.063 -2.126 1.00 0.00 N ATOM 1662 CA SER A 109 -19.319 12.252 -1.758 1.00 0.00 C ATOM 1663 C SER A 109 -19.546 11.813 -0.312 1.00 0.00 C ATOM 1664 O SER A 109 -18.846 10.932 0.197 1.00 0.00 O ATOM 1665 CB SER A 109 -20.203 11.453 -2.714 1.00 0.00 C ATOM 1666 OG SER A 109 -19.452 11.016 -3.840 1.00 0.00 O ATOM 0 H SER A 109 -17.767 11.301 -2.785 1.00 0.00 H new ATOM 0 HA SER A 109 -19.579 13.308 -1.833 1.00 0.00 H new ATOM 0 HB2 SER A 109 -20.625 10.592 -2.195 1.00 0.00 H new ATOM 0 HB3 SER A 109 -21.040 12.068 -3.044 1.00 0.00 H new ATOM 0 HG SER A 109 -20.032 10.504 -4.442 1.00 0.00 H new ATOM 1672 N GLU A 110 -20.501 12.444 0.357 1.00 0.00 N ATOM 1673 CA GLU A 110 -20.801 12.115 1.743 1.00 0.00 C ATOM 1674 C GLU A 110 -21.527 10.775 1.851 1.00 0.00 C ATOM 1675 O GLU A 110 -21.945 10.197 0.845 1.00 0.00 O ATOM 1676 CB GLU A 110 -21.625 13.227 2.395 1.00 0.00 C ATOM 1677 CG GLU A 110 -22.968 13.481 1.732 1.00 0.00 C ATOM 1678 CD GLU A 110 -23.822 14.439 2.533 1.00 0.00 C ATOM 1679 OE1 GLU A 110 -23.308 15.504 2.932 1.00 0.00 O ATOM 1680 OE2 GLU A 110 -25.003 14.125 2.786 1.00 0.00 O ATOM 0 H GLU A 110 -21.080 13.185 -0.037 1.00 0.00 H new ATOM 0 HA GLU A 110 -19.855 12.026 2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -21.792 12.973 3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -21.045 14.150 2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -22.808 13.886 0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -23.498 12.536 1.612 1.00 0.00 H new ATOM 1687 N ILE A 111 -21.676 10.293 3.078 1.00 0.00 N ATOM 1688 CA ILE A 111 -22.331 9.018 3.335 1.00 0.00 C ATOM 1689 C ILE A 111 -23.814 9.076 2.982 1.00 0.00 C ATOM 1690 O ILE A 111 -24.545 9.947 3.459 1.00 0.00 O ATOM 1691 CB ILE A 111 -22.181 8.605 4.815 1.00 0.00 C ATOM 1692 CG1 ILE A 111 -20.732 8.796 5.276 1.00 0.00 C ATOM 1693 CG2 ILE A 111 -22.618 7.160 5.014 1.00 0.00 C ATOM 1694 CD1 ILE A 111 -20.557 8.717 6.777 1.00 0.00 C ATOM 0 H ILE A 111 -21.349 10.771 3.917 1.00 0.00 H new ATOM 0 HA ILE A 111 -21.843 8.276 2.703 1.00 0.00 H new ATOM 0 HB ILE A 111 -22.825 9.244 5.420 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -20.107 8.037 4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -20.374 9.765 4.928 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -22.505 6.887 6.063 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -23.662 7.052 4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -22.000 6.505 4.400 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -19.506 8.861 7.029 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -21.155 9.494 7.254 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -20.884 7.739 7.130 1.00 0.00 H new ATOM 1706 N GLU A 112 -24.245 8.150 2.140 1.00 0.00 N ATOM 1707 CA GLU A 112 -25.632 8.077 1.718 1.00 0.00 C ATOM 1708 C GLU A 112 -26.471 7.412 2.803 1.00 0.00 C ATOM 1709 O GLU A 112 -26.124 6.283 3.220 1.00 0.00 O ATOM 1710 CB GLU A 112 -25.740 7.294 0.405 1.00 0.00 C ATOM 1711 CG GLU A 112 -27.133 7.283 -0.198 1.00 0.00 C ATOM 1712 CD GLU A 112 -27.194 6.491 -1.487 1.00 0.00 C ATOM 1713 OE1 GLU A 112 -26.425 6.807 -2.417 1.00 0.00 O ATOM 1714 OE2 GLU A 112 -28.016 5.550 -1.580 1.00 0.00 O ATOM 1715 OXT GLU A 112 -27.470 8.017 3.241 1.00 0.00 O ATOM 0 H GLU A 112 -23.646 7.432 1.733 1.00 0.00 H new ATOM 0 HA GLU A 112 -26.009 9.087 1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -25.046 7.722 -0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -25.424 6.266 0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -27.834 6.858 0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -27.453 8.308 -0.388 1.00 0.00 H new TER 1722 GLU A 112 ATOM 1723 N CYS B 7 4.079 -16.742 8.772 1.00 1.33 N ATOM 1724 CA CYS B 7 5.381 -16.195 8.341 1.00 1.38 C ATOM 1725 C CYS B 7 5.180 -14.884 7.588 1.00 1.15 C ATOM 1726 O CYS B 7 4.067 -14.564 7.169 1.00 1.28 O ATOM 1727 CB CYS B 7 6.102 -17.205 7.448 1.00 1.79 C ATOM 1728 SG CYS B 7 6.486 -18.772 8.262 1.00 2.58 S ATOM 0 HA CYS B 7 5.990 -16.002 9.224 1.00 1.38 H new ATOM 0 HB2 CYS B 7 5.484 -17.405 6.573 1.00 1.79 H new ATOM 0 HB3 CYS B 7 7.029 -16.758 7.089 1.00 1.79 H new ATOM 0 HG CYS B 7 7.093 -19.559 7.424 1.00 2.58 H new ATOM 1736 N GLN B 8 6.251 -14.120 7.437 1.00 0.90 N ATOM 1737 CA GLN B 8 6.198 -12.851 6.723 1.00 0.76 C ATOM 1738 C GLN B 8 7.124 -12.916 5.515 1.00 0.65 C ATOM 1739 O GLN B 8 8.262 -13.367 5.630 1.00 0.64 O ATOM 1740 CB GLN B 8 6.595 -11.693 7.648 1.00 0.71 C ATOM 1741 CG GLN B 8 5.678 -11.529 8.852 1.00 0.89 C ATOM 1742 CD GLN B 8 4.291 -11.028 8.484 1.00 1.17 C ATOM 1743 OE1 GLN B 8 4.030 -9.826 8.490 1.00 1.79 O ATOM 1744 NE2 GLN B 8 3.394 -11.945 8.161 1.00 1.90 N ATOM 0 H GLN B 8 7.173 -14.358 7.802 1.00 0.90 H new ATOM 0 HA GLN B 8 5.178 -12.671 6.384 1.00 0.76 H new ATOM 0 HB2 GLN B 8 7.615 -11.853 7.998 1.00 0.71 H new ATOM 0 HB3 GLN B 8 6.596 -10.766 7.075 1.00 0.71 H new ATOM 0 HG2 GLN B 8 5.587 -12.487 9.365 1.00 0.89 H new ATOM 0 HG3 GLN B 8 6.134 -10.833 9.556 1.00 0.89 H new ATOM 0 HE21 GLN B 8 3.649 -12.933 8.168 1.00 1.90 H new ATOM 0 HE22 GLN B 8 2.447 -11.664 7.905 1.00 1.90 H new ATOM 1753 N PRO B 9 6.642 -12.493 4.339 1.00 0.64 N ATOM 1754 CA PRO B 9 7.433 -12.525 3.104 1.00 0.56 C ATOM 1755 C PRO B 9 8.556 -11.489 3.084 1.00 0.44 C ATOM 1756 O PRO B 9 8.596 -10.574 3.913 1.00 0.38 O ATOM 1757 CB PRO B 9 6.402 -12.218 2.018 1.00 0.61 C ATOM 1758 CG PRO B 9 5.353 -11.421 2.708 1.00 0.75 C ATOM 1759 CD PRO B 9 5.290 -11.947 4.116 1.00 0.77 C ATOM 0 HA PRO B 9 7.941 -13.481 2.978 1.00 0.56 H new ATOM 0 HB2 PRO B 9 6.848 -11.658 1.196 1.00 0.61 H new ATOM 0 HB3 PRO B 9 5.989 -13.133 1.594 1.00 0.61 H new ATOM 0 HG2 PRO B 9 5.601 -10.360 2.699 1.00 0.75 H new ATOM 0 HG3 PRO B 9 4.390 -11.528 2.208 1.00 0.75 H new ATOM 0 HD2 PRO B 9 5.053 -11.158 4.829 1.00 0.77 H new ATOM 0 HD3 PRO B 9 4.524 -12.715 4.224 1.00 0.77 H new ATOM 1767 N THR B 10 9.456 -11.636 2.123 1.00 0.43 N ATOM 1768 CA THR B 10 10.584 -10.731 1.970 1.00 0.37 C ATOM 1769 C THR B 10 10.165 -9.465 1.221 1.00 0.31 C ATOM 1770 O THR B 10 10.829 -9.028 0.275 1.00 0.39 O ATOM 1771 CB THR B 10 11.739 -11.422 1.221 1.00 0.46 C ATOM 1772 OG1 THR B 10 11.590 -12.846 1.307 1.00 0.88 O ATOM 1773 CG2 THR B 10 13.084 -11.019 1.803 1.00 0.62 C ATOM 0 H THR B 10 9.425 -12.384 1.430 1.00 0.43 H new ATOM 0 HA THR B 10 10.927 -10.453 2.966 1.00 0.37 H new ATOM 0 HB THR B 10 11.704 -11.109 0.178 1.00 0.46 H new ATOM 0 HG1 THR B 10 12.326 -13.281 0.828 1.00 0.88 H new ATOM 0 HG21 THR B 10 13.882 -11.521 1.256 1.00 0.62 H new ATOM 0 HG22 THR B 10 13.209 -9.940 1.718 1.00 0.62 H new ATOM 0 HG23 THR B 10 13.127 -11.307 2.853 1.00 0.62 H new ATOM 1781 N GLU B 11 9.061 -8.880 1.663 1.00 0.30 N ATOM 1782 CA GLU B 11 8.524 -7.670 1.066 1.00 0.31 C ATOM 1783 C GLU B 11 7.526 -7.020 2.014 1.00 0.27 C ATOM 1784 O GLU B 11 6.775 -7.711 2.709 1.00 0.31 O ATOM 1785 CB GLU B 11 7.848 -7.973 -0.274 1.00 0.45 C ATOM 1786 CG GLU B 11 6.950 -9.195 -0.246 1.00 1.13 C ATOM 1787 CD GLU B 11 7.417 -10.267 -1.204 1.00 1.36 C ATOM 1788 OE1 GLU B 11 8.341 -11.026 -0.850 1.00 1.83 O ATOM 1789 OE2 GLU B 11 6.864 -10.358 -2.319 1.00 1.65 O ATOM 0 H GLU B 11 8.513 -9.233 2.447 1.00 0.30 H new ATOM 0 HA GLU B 11 9.351 -6.983 0.886 1.00 0.31 H new ATOM 0 HB2 GLU B 11 7.258 -7.108 -0.576 1.00 0.45 H new ATOM 0 HB3 GLU B 11 8.617 -8.116 -1.034 1.00 0.45 H new ATOM 0 HG2 GLU B 11 6.922 -9.601 0.765 1.00 1.13 H new ATOM 0 HG3 GLU B 11 5.931 -8.902 -0.500 1.00 1.13 H new ATOM 1796 N PHE B 12 7.510 -5.698 2.035 1.00 0.30 N ATOM 1797 CA PHE B 12 6.606 -4.964 2.906 1.00 0.30 C ATOM 1798 C PHE B 12 6.157 -3.668 2.245 1.00 0.27 C ATOM 1799 O PHE B 12 6.829 -3.152 1.353 1.00 0.33 O ATOM 1800 CB PHE B 12 7.268 -4.685 4.261 1.00 0.35 C ATOM 1801 CG PHE B 12 8.551 -3.900 4.191 1.00 0.34 C ATOM 1802 CD1 PHE B 12 9.747 -4.526 3.878 1.00 0.39 C ATOM 1803 CD2 PHE B 12 8.562 -2.540 4.454 1.00 0.42 C ATOM 1804 CE1 PHE B 12 10.929 -3.811 3.827 1.00 0.42 C ATOM 1805 CE2 PHE B 12 9.739 -1.821 4.407 1.00 0.45 C ATOM 1806 CZ PHE B 12 10.925 -2.457 4.092 1.00 0.40 C ATOM 0 H PHE B 12 8.113 -5.110 1.459 1.00 0.30 H new ATOM 0 HA PHE B 12 5.723 -5.579 3.080 1.00 0.30 H new ATOM 0 HB2 PHE B 12 6.561 -4.143 4.889 1.00 0.35 H new ATOM 0 HB3 PHE B 12 7.468 -5.636 4.754 1.00 0.35 H new ATOM 0 HD1 PHE B 12 9.756 -5.586 3.671 1.00 0.39 H new ATOM 0 HD2 PHE B 12 7.638 -2.036 4.699 1.00 0.42 H new ATOM 0 HE1 PHE B 12 11.854 -4.311 3.580 1.00 0.42 H new ATOM 0 HE2 PHE B 12 9.733 -0.761 4.616 1.00 0.45 H new ATOM 0 HZ PHE B 12 11.847 -1.895 4.053 1.00 0.40 H new ATOM 1816 N ILE B 13 5.019 -3.151 2.683 1.00 0.27 N ATOM 1817 CA ILE B 13 4.468 -1.923 2.128 1.00 0.27 C ATOM 1818 C ILE B 13 4.338 -0.874 3.221 1.00 0.29 C ATOM 1819 O ILE B 13 3.455 -0.960 4.073 1.00 0.35 O ATOM 1820 CB ILE B 13 3.084 -2.153 1.481 1.00 0.36 C ATOM 1821 CG1 ILE B 13 3.006 -3.546 0.848 1.00 0.98 C ATOM 1822 CG2 ILE B 13 2.804 -1.079 0.440 1.00 0.85 C ATOM 1823 CD1 ILE B 13 1.632 -3.902 0.321 1.00 1.40 C ATOM 0 H ILE B 13 4.456 -3.565 3.426 1.00 0.27 H new ATOM 0 HA ILE B 13 5.153 -1.579 1.353 1.00 0.27 H new ATOM 0 HB ILE B 13 2.325 -2.090 2.261 1.00 0.36 H new ATOM 0 HG12 ILE B 13 3.725 -3.604 0.031 1.00 0.98 H new ATOM 0 HG13 ILE B 13 3.305 -4.288 1.588 1.00 0.98 H new ATOM 0 HG21 ILE B 13 1.826 -1.253 -0.008 1.00 0.85 H new ATOM 0 HG22 ILE B 13 2.816 -0.099 0.916 1.00 0.85 H new ATOM 0 HG23 ILE B 13 3.570 -1.115 -0.335 1.00 0.85 H new ATOM 0 HD11 ILE B 13 1.656 -4.902 -0.112 1.00 1.40 H new ATOM 0 HD12 ILE B 13 0.911 -3.878 1.138 1.00 1.40 H new ATOM 0 HD13 ILE B 13 1.338 -3.183 -0.443 1.00 1.40 H new ATOM 1835 N SER B 14 5.216 0.115 3.199 1.00 0.34 N ATOM 1836 CA SER B 14 5.200 1.160 4.211 1.00 0.42 C ATOM 1837 C SER B 14 4.819 2.513 3.621 1.00 0.35 C ATOM 1838 O SER B 14 4.807 2.697 2.403 1.00 0.40 O ATOM 1839 CB SER B 14 6.568 1.246 4.884 1.00 0.54 C ATOM 1840 OG SER B 14 6.972 -0.027 5.351 1.00 1.47 O ATOM 0 H SER B 14 5.947 0.217 2.495 1.00 0.34 H new ATOM 0 HA SER B 14 4.443 0.900 4.951 1.00 0.42 H new ATOM 0 HB2 SER B 14 7.304 1.631 4.178 1.00 0.54 H new ATOM 0 HB3 SER B 14 6.527 1.949 5.716 1.00 0.54 H new ATOM 0 HG SER B 14 7.784 -0.306 4.879 1.00 1.47 H new ATOM 1846 N ARG B 15 4.505 3.451 4.504 1.00 0.31 N ATOM 1847 CA ARG B 15 4.130 4.800 4.110 1.00 0.31 C ATOM 1848 C ARG B 15 5.236 5.772 4.520 1.00 0.27 C ATOM 1849 O ARG B 15 5.436 6.024 5.709 1.00 0.29 O ATOM 1850 CB ARG B 15 2.805 5.212 4.777 1.00 0.42 C ATOM 1851 CG ARG B 15 1.608 4.340 4.407 1.00 0.54 C ATOM 1852 CD ARG B 15 0.958 3.732 5.644 1.00 0.90 C ATOM 1853 NE ARG B 15 -0.474 4.044 5.756 1.00 1.40 N ATOM 1854 CZ ARG B 15 -1.058 4.464 6.883 1.00 1.85 C ATOM 1855 NH1 ARG B 15 -0.319 4.695 7.962 1.00 2.03 N ATOM 1856 NH2 ARG B 15 -2.373 4.656 6.937 1.00 2.69 N ATOM 0 H ARG B 15 4.503 3.297 5.512 1.00 0.31 H new ATOM 0 HA ARG B 15 3.996 4.827 3.029 1.00 0.31 H new ATOM 0 HB2 ARG B 15 2.935 5.187 5.859 1.00 0.42 H new ATOM 0 HB3 ARG B 15 2.583 6.244 4.506 1.00 0.42 H new ATOM 0 HG2 ARG B 15 0.875 4.937 3.865 1.00 0.54 H new ATOM 0 HG3 ARG B 15 1.930 3.544 3.735 1.00 0.54 H new ATOM 0 HD2 ARG B 15 1.087 2.650 5.620 1.00 0.90 H new ATOM 0 HD3 ARG B 15 1.473 4.095 6.533 1.00 0.90 H new ATOM 0 HE ARG B 15 -1.056 3.934 4.926 1.00 1.40 H new ATOM 0 HH11 ARG B 15 0.690 4.552 7.929 1.00 2.03 H new ATOM 0 HH12 ARG B 15 -0.761 5.016 8.824 1.00 2.03 H new ATOM 0 HH21 ARG B 15 -2.948 4.483 6.113 1.00 2.69 H new ATOM 0 HH22 ARG B 15 -2.806 4.977 7.803 1.00 2.69 H new ATOM 1870 N HIS B 16 5.967 6.296 3.546 1.00 0.28 N ATOM 1871 CA HIS B 16 7.047 7.239 3.826 1.00 0.28 C ATOM 1872 C HIS B 16 6.744 8.578 3.171 1.00 0.32 C ATOM 1873 O HIS B 16 6.062 8.624 2.154 1.00 0.40 O ATOM 1874 CB HIS B 16 8.404 6.698 3.336 1.00 0.32 C ATOM 1875 CG HIS B 16 8.558 6.637 1.841 1.00 0.36 C ATOM 1876 ND1 HIS B 16 8.433 5.599 0.982 1.00 0.54 N flip ATOM 1877 CD2 HIS B 16 8.892 7.730 1.066 1.00 0.75 C flip ATOM 1878 CE1 HIS B 16 8.693 6.079 -0.280 1.00 0.46 C flip ATOM 1879 NE2 HIS B 16 8.964 7.366 -0.200 1.00 0.61 N flip ATOM 0 H HIS B 16 5.834 6.086 2.557 1.00 0.28 H new ATOM 0 HA HIS B 16 7.113 7.373 4.906 1.00 0.28 H new ATOM 0 HB2 HIS B 16 9.197 7.325 3.743 1.00 0.32 H new ATOM 0 HB3 HIS B 16 8.548 5.697 3.743 1.00 0.32 H new ATOM 0 HD1 HIS B 16 8.191 4.639 1.225 1.00 0.54 H new ATOM 0 HD2 HIS B 16 9.067 8.728 1.439 1.00 0.75 H new ATOM 0 HE1 HIS B 16 8.678 5.496 -1.189 1.00 0.46 H new ATOM 1888 N ASN B 17 7.254 9.659 3.733 1.00 0.31 N ATOM 1889 CA ASN B 17 7.006 10.977 3.167 1.00 0.39 C ATOM 1890 C ASN B 17 7.878 11.200 1.932 1.00 0.35 C ATOM 1891 O ASN B 17 8.746 10.377 1.620 1.00 0.32 O ATOM 1892 CB ASN B 17 7.211 12.072 4.226 1.00 0.49 C ATOM 1893 CG ASN B 17 8.628 12.606 4.317 1.00 0.95 C ATOM 1894 OD1 ASN B 17 9.606 11.881 4.139 1.00 2.04 O ATOM 1895 ND2 ASN B 17 8.738 13.890 4.594 1.00 0.59 N ATOM 0 H ASN B 17 7.836 9.654 4.571 1.00 0.31 H new ATOM 0 HA ASN B 17 5.966 11.033 2.846 1.00 0.39 H new ATOM 0 HB2 ASN B 17 6.538 12.901 4.007 1.00 0.49 H new ATOM 0 HB3 ASN B 17 6.923 11.676 5.200 1.00 0.49 H new ATOM 0 HD21 ASN B 17 9.661 14.319 4.668 1.00 0.59 H new ATOM 0 HD22 ASN B 17 7.900 14.455 4.734 1.00 0.59 H new ATOM 1902 N ILE B 18 7.634 12.301 1.232 1.00 0.40 N ATOM 1903 CA ILE B 18 8.365 12.634 0.008 1.00 0.45 C ATOM 1904 C ILE B 18 9.883 12.693 0.201 1.00 0.44 C ATOM 1905 O ILE B 18 10.639 12.415 -0.731 1.00 0.52 O ATOM 1906 CB ILE B 18 7.894 13.980 -0.579 1.00 0.53 C ATOM 1907 CG1 ILE B 18 8.005 15.096 0.468 1.00 0.59 C ATOM 1908 CG2 ILE B 18 6.468 13.858 -1.096 1.00 0.57 C ATOM 1909 CD1 ILE B 18 7.921 16.491 -0.113 1.00 0.70 C ATOM 0 H ILE B 18 6.927 12.988 1.493 1.00 0.40 H new ATOM 0 HA ILE B 18 8.143 11.821 -0.683 1.00 0.45 H new ATOM 0 HB ILE B 18 8.541 14.241 -1.416 1.00 0.53 H new ATOM 0 HG12 ILE B 18 7.211 14.971 1.204 1.00 0.59 H new ATOM 0 HG13 ILE B 18 8.951 14.990 0.999 1.00 0.59 H new ATOM 0 HG21 ILE B 18 6.147 14.815 -1.508 1.00 0.57 H new ATOM 0 HG22 ILE B 18 6.427 13.096 -1.874 1.00 0.57 H new ATOM 0 HG23 ILE B 18 5.807 13.576 -0.277 1.00 0.57 H new ATOM 0 HD11 ILE B 18 8.007 17.225 0.688 1.00 0.70 H new ATOM 0 HD12 ILE B 18 8.731 16.637 -0.827 1.00 0.70 H new ATOM 0 HD13 ILE B 18 6.964 16.617 -0.619 1.00 0.70 H new ATOM 1921 N GLU B 19 10.325 13.050 1.399 1.00 0.41 N ATOM 1922 CA GLU B 19 11.751 13.159 1.681 1.00 0.45 C ATOM 1923 C GLU B 19 12.388 11.785 1.866 1.00 0.41 C ATOM 1924 O GLU B 19 13.561 11.585 1.550 1.00 0.51 O ATOM 1925 CB GLU B 19 11.972 14.019 2.923 1.00 0.50 C ATOM 1926 CG GLU B 19 11.331 15.391 2.824 1.00 0.65 C ATOM 1927 CD GLU B 19 11.401 16.151 4.128 1.00 1.21 C ATOM 1928 OE1 GLU B 19 10.656 15.797 5.061 1.00 1.92 O ATOM 1929 OE2 GLU B 19 12.204 17.102 4.225 1.00 1.28 O ATOM 0 H GLU B 19 9.719 13.269 2.190 1.00 0.41 H new ATOM 0 HA GLU B 19 12.231 13.634 0.826 1.00 0.45 H new ATOM 0 HB2 GLU B 19 11.570 13.499 3.793 1.00 0.50 H new ATOM 0 HB3 GLU B 19 13.043 14.137 3.089 1.00 0.50 H new ATOM 0 HG2 GLU B 19 11.828 15.967 2.043 1.00 0.65 H new ATOM 0 HG3 GLU B 19 10.289 15.282 2.525 1.00 0.65 H new ATOM 1936 N GLY B 20 11.613 10.840 2.375 1.00 0.33 N ATOM 1937 CA GLY B 20 12.122 9.501 2.590 1.00 0.32 C ATOM 1938 C GLY B 20 11.919 9.037 4.014 1.00 0.29 C ATOM 1939 O GLY B 20 12.222 7.893 4.348 1.00 0.34 O ATOM 0 H GLY B 20 10.639 10.976 2.644 1.00 0.33 H new ATOM 0 HA2 GLY B 20 11.623 8.811 1.910 1.00 0.32 H new ATOM 0 HA3 GLY B 20 13.185 9.475 2.349 1.00 0.32 H new ATOM 1943 N ILE B 21 11.398 9.930 4.848 1.00 0.27 N ATOM 1944 CA ILE B 21 11.141 9.624 6.247 1.00 0.28 C ATOM 1945 C ILE B 21 9.933 8.706 6.359 1.00 0.27 C ATOM 1946 O ILE B 21 8.835 9.054 5.919 1.00 0.31 O ATOM 1947 CB ILE B 21 10.877 10.904 7.075 1.00 0.32 C ATOM 1948 CG1 ILE B 21 12.067 11.865 6.977 1.00 0.37 C ATOM 1949 CG2 ILE B 21 10.587 10.554 8.532 1.00 0.41 C ATOM 1950 CD1 ILE B 21 13.325 11.354 7.648 1.00 0.47 C ATOM 0 H ILE B 21 11.144 10.879 4.574 1.00 0.27 H new ATOM 0 HA ILE B 21 12.030 9.134 6.645 1.00 0.28 H new ATOM 0 HB ILE B 21 9.999 11.402 6.663 1.00 0.32 H new ATOM 0 HG12 ILE B 21 12.280 12.058 5.926 1.00 0.37 H new ATOM 0 HG13 ILE B 21 11.789 12.819 7.426 1.00 0.37 H new ATOM 0 HG21 ILE B 21 10.404 11.468 9.096 1.00 0.41 H new ATOM 0 HG22 ILE B 21 9.707 9.913 8.584 1.00 0.41 H new ATOM 0 HG23 ILE B 21 11.443 10.030 8.958 1.00 0.41 H new ATOM 0 HD11 ILE B 21 14.122 12.089 7.536 1.00 0.47 H new ATOM 0 HD12 ILE B 21 13.131 11.189 8.708 1.00 0.47 H new ATOM 0 HD13 ILE B 21 13.629 10.416 7.184 1.00 0.47 H new ATOM 1962 N PHE B 22 10.141 7.529 6.925 1.00 0.25 N ATOM 1963 CA PHE B 22 9.062 6.568 7.090 1.00 0.27 C ATOM 1964 C PHE B 22 8.092 7.030 8.171 1.00 0.28 C ATOM 1965 O PHE B 22 8.451 7.119 9.347 1.00 0.35 O ATOM 1966 CB PHE B 22 9.618 5.187 7.439 1.00 0.31 C ATOM 1967 CG PHE B 22 10.269 4.487 6.279 1.00 0.33 C ATOM 1968 CD1 PHE B 22 11.593 4.735 5.958 1.00 0.38 C ATOM 1969 CD2 PHE B 22 9.556 3.579 5.514 1.00 0.36 C ATOM 1970 CE1 PHE B 22 12.192 4.094 4.892 1.00 0.45 C ATOM 1971 CE2 PHE B 22 10.151 2.935 4.445 1.00 0.44 C ATOM 1972 CZ PHE B 22 11.472 3.191 4.137 1.00 0.46 C ATOM 0 H PHE B 22 11.045 7.216 7.278 1.00 0.25 H new ATOM 0 HA PHE B 22 8.524 6.498 6.145 1.00 0.27 H new ATOM 0 HB2 PHE B 22 10.346 5.291 8.244 1.00 0.31 H new ATOM 0 HB3 PHE B 22 8.808 4.565 7.820 1.00 0.31 H new ATOM 0 HD1 PHE B 22 12.163 5.437 6.548 1.00 0.38 H new ATOM 0 HD2 PHE B 22 8.524 3.372 5.755 1.00 0.36 H new ATOM 0 HE1 PHE B 22 13.224 4.299 4.649 1.00 0.45 H new ATOM 0 HE2 PHE B 22 9.583 2.233 3.852 1.00 0.44 H new ATOM 0 HZ PHE B 22 11.941 2.685 3.306 1.00 0.46 H new ATOM 1982 N THR B 23 6.872 7.344 7.757 1.00 0.27 N ATOM 1983 CA THR B 23 5.835 7.789 8.674 1.00 0.30 C ATOM 1984 C THR B 23 5.201 6.585 9.363 1.00 0.27 C ATOM 1985 O THR B 23 4.918 6.609 10.560 1.00 0.33 O ATOM 1986 CB THR B 23 4.753 8.586 7.922 1.00 0.42 C ATOM 1987 OG1 THR B 23 5.363 9.364 6.881 1.00 1.35 O ATOM 1988 CG2 THR B 23 3.995 9.505 8.868 1.00 1.14 C ATOM 0 H THR B 23 6.576 7.298 6.782 1.00 0.27 H new ATOM 0 HA THR B 23 6.290 8.438 9.423 1.00 0.30 H new ATOM 0 HB THR B 23 4.045 7.879 7.489 1.00 0.42 H new ATOM 0 HG1 THR B 23 4.673 9.869 6.403 1.00 1.35 H new ATOM 0 HG21 THR B 23 3.237 10.056 8.311 1.00 1.14 H new ATOM 0 HG22 THR B 23 3.514 8.911 9.645 1.00 1.14 H new ATOM 0 HG23 THR B 23 4.690 10.208 9.327 1.00 1.14 H new ATOM 1996 N PHE B 24 4.989 5.534 8.587 1.00 0.25 N ATOM 1997 CA PHE B 24 4.418 4.297 9.088 1.00 0.28 C ATOM 1998 C PHE B 24 5.091 3.131 8.386 1.00 0.26 C ATOM 1999 O PHE B 24 4.950 2.966 7.174 1.00 0.27 O ATOM 2000 CB PHE B 24 2.906 4.257 8.858 1.00 0.36 C ATOM 2001 CG PHE B 24 2.244 3.025 9.412 1.00 0.46 C ATOM 2002 CD1 PHE B 24 2.038 2.888 10.774 1.00 0.59 C ATOM 2003 CD2 PHE B 24 1.829 2.006 8.569 1.00 0.51 C ATOM 2004 CE1 PHE B 24 1.430 1.759 11.287 1.00 0.71 C ATOM 2005 CE2 PHE B 24 1.221 0.874 9.075 1.00 0.61 C ATOM 2006 CZ PHE B 24 1.022 0.751 10.436 1.00 0.70 C ATOM 0 H PHE B 24 5.209 5.516 7.591 1.00 0.25 H new ATOM 0 HA PHE B 24 4.588 4.232 10.163 1.00 0.28 H new ATOM 0 HB2 PHE B 24 2.454 5.138 9.314 1.00 0.36 H new ATOM 0 HB3 PHE B 24 2.708 4.315 7.788 1.00 0.36 H new ATOM 0 HD1 PHE B 24 2.357 3.673 11.443 1.00 0.59 H new ATOM 0 HD2 PHE B 24 1.983 2.098 7.504 1.00 0.51 H new ATOM 0 HE1 PHE B 24 1.274 1.665 12.352 1.00 0.71 H new ATOM 0 HE2 PHE B 24 0.902 0.087 8.408 1.00 0.61 H new ATOM 0 HZ PHE B 24 0.547 -0.133 10.835 1.00 0.70 H new ATOM 2016 N VAL B 25 5.833 2.342 9.141 1.00 0.26 N ATOM 2017 CA VAL B 25 6.554 1.209 8.583 1.00 0.27 C ATOM 2018 C VAL B 25 5.789 -0.093 8.776 1.00 0.26 C ATOM 2019 O VAL B 25 5.132 -0.299 9.799 1.00 0.25 O ATOM 2020 CB VAL B 25 7.952 1.072 9.223 1.00 0.34 C ATOM 2021 CG1 VAL B 25 8.834 0.125 8.420 1.00 0.74 C ATOM 2022 CG2 VAL B 25 8.609 2.435 9.358 1.00 0.78 C ATOM 0 H VAL B 25 5.953 2.464 10.146 1.00 0.26 H new ATOM 0 HA VAL B 25 6.661 1.399 7.515 1.00 0.27 H new ATOM 0 HB VAL B 25 7.828 0.647 10.219 1.00 0.34 H new ATOM 0 HG11 VAL B 25 9.812 0.048 8.895 1.00 0.74 H new ATOM 0 HG12 VAL B 25 8.370 -0.861 8.383 1.00 0.74 H new ATOM 0 HG13 VAL B 25 8.952 0.509 7.407 1.00 0.74 H new ATOM 0 HG21 VAL B 25 9.594 2.321 9.811 1.00 0.78 H new ATOM 0 HG22 VAL B 25 8.713 2.888 8.372 1.00 0.78 H new ATOM 0 HG23 VAL B 25 7.992 3.076 9.988 1.00 0.78 H new ATOM 2032 N ASP B 26 5.876 -0.956 7.774 1.00 0.27 N ATOM 2033 CA ASP B 26 5.229 -2.258 7.808 1.00 0.29 C ATOM 2034 C ASP B 26 5.909 -3.132 8.859 1.00 0.24 C ATOM 2035 O ASP B 26 7.018 -2.829 9.301 1.00 0.22 O ATOM 2036 CB ASP B 26 5.328 -2.915 6.428 1.00 0.39 C ATOM 2037 CG ASP B 26 4.238 -3.936 6.149 1.00 0.48 C ATOM 2038 OD1 ASP B 26 3.757 -4.593 7.095 1.00 0.72 O ATOM 2039 OD2 ASP B 26 3.874 -4.098 4.967 1.00 0.78 O ATOM 0 H ASP B 26 6.396 -0.773 6.916 1.00 0.27 H new ATOM 0 HA ASP B 26 4.177 -2.141 8.068 1.00 0.29 H new ATOM 0 HB2 ASP B 26 5.288 -2.139 5.664 1.00 0.39 H new ATOM 0 HB3 ASP B 26 6.299 -3.402 6.338 1.00 0.39 H new ATOM 2044 N HIS B 27 5.266 -4.219 9.241 1.00 0.26 N ATOM 2045 CA HIS B 27 5.821 -5.108 10.256 1.00 0.26 C ATOM 2046 C HIS B 27 6.493 -6.311 9.611 1.00 0.23 C ATOM 2047 O HIS B 27 7.147 -7.104 10.283 1.00 0.26 O ATOM 2048 CB HIS B 27 4.730 -5.578 11.225 1.00 0.34 C ATOM 2049 CG HIS B 27 4.101 -4.466 12.009 1.00 0.50 C ATOM 2050 ND1 HIS B 27 3.052 -3.661 11.719 1.00 0.70 N flip ATOM 2051 CD2 HIS B 27 4.547 -4.075 13.251 1.00 0.66 C flip ATOM 2052 CE1 HIS B 27 2.887 -2.807 12.782 1.00 0.86 C flip ATOM 2053 NE2 HIS B 27 3.802 -3.078 13.691 1.00 0.83 N flip ATOM 0 H HIS B 27 4.362 -4.511 8.869 1.00 0.26 H new ATOM 0 HA HIS B 27 6.569 -4.547 10.817 1.00 0.26 H new ATOM 0 HB2 HIS B 27 3.955 -6.097 10.661 1.00 0.34 H new ATOM 0 HB3 HIS B 27 5.159 -6.302 11.918 1.00 0.34 H new ATOM 0 HD2 HIS B 27 5.377 -4.515 13.783 1.00 0.66 H new ATOM 0 HE1 HIS B 27 2.131 -2.039 12.860 1.00 0.86 H new ATOM 0 HE2 HIS B 27 3.915 -2.598 14.584 1.00 0.83 H new ATOM 2062 N ARG B 28 6.346 -6.432 8.299 1.00 0.24 N ATOM 2063 CA ARG B 28 6.934 -7.552 7.570 1.00 0.27 C ATOM 2064 C ARG B 28 8.411 -7.304 7.275 1.00 0.24 C ATOM 2065 O ARG B 28 9.129 -8.209 6.851 1.00 0.28 O ATOM 2066 CB ARG B 28 6.176 -7.801 6.265 1.00 0.35 C ATOM 2067 CG ARG B 28 4.674 -7.601 6.388 1.00 0.48 C ATOM 2068 CD ARG B 28 3.906 -8.495 5.428 1.00 0.56 C ATOM 2069 NE ARG B 28 4.317 -8.302 4.039 1.00 0.99 N ATOM 2070 CZ ARG B 28 3.505 -8.455 2.996 1.00 1.26 C ATOM 2071 NH1 ARG B 28 2.217 -8.726 3.182 1.00 1.61 N ATOM 2072 NH2 ARG B 28 3.981 -8.323 1.763 1.00 1.87 N ATOM 0 H ARG B 28 5.828 -5.773 7.718 1.00 0.24 H new ATOM 0 HA ARG B 28 6.854 -8.437 8.201 1.00 0.27 H new ATOM 0 HB2 ARG B 28 6.562 -7.131 5.497 1.00 0.35 H new ATOM 0 HB3 ARG B 28 6.373 -8.819 5.929 1.00 0.35 H new ATOM 0 HG2 ARG B 28 4.362 -7.812 7.411 1.00 0.48 H new ATOM 0 HG3 ARG B 28 4.428 -6.558 6.189 1.00 0.48 H new ATOM 0 HD2 ARG B 28 4.057 -9.538 5.707 1.00 0.56 H new ATOM 0 HD3 ARG B 28 2.839 -8.291 5.520 1.00 0.56 H new ATOM 0 HE ARG B 28 5.284 -8.034 3.858 1.00 0.99 H new ATOM 0 HH11 ARG B 28 1.847 -8.818 4.128 1.00 1.61 H new ATOM 0 HH12 ARG B 28 1.599 -8.842 2.379 1.00 1.61 H new ATOM 0 HH21 ARG B 28 4.967 -8.105 1.617 1.00 1.87 H new ATOM 0 HH22 ARG B 28 3.361 -8.440 0.962 1.00 1.87 H new ATOM 2086 N CYS B 29 8.863 -6.082 7.537 1.00 0.21 N ATOM 2087 CA CYS B 29 10.251 -5.693 7.292 1.00 0.22 C ATOM 2088 C CYS B 29 11.227 -6.567 8.079 1.00 0.22 C ATOM 2089 O CYS B 29 12.382 -6.747 7.674 1.00 0.25 O ATOM 2090 CB CYS B 29 10.448 -4.225 7.668 1.00 0.27 C ATOM 2091 SG CYS B 29 9.790 -3.791 9.296 1.00 1.34 S ATOM 0 H CYS B 29 8.284 -5.336 7.923 1.00 0.21 H new ATOM 0 HA CYS B 29 10.459 -5.833 6.231 1.00 0.22 H new ATOM 0 HB2 CYS B 29 11.513 -3.994 7.644 1.00 0.27 H new ATOM 0 HB3 CYS B 29 9.969 -3.600 6.915 1.00 0.27 H new ATOM 0 HG CYS B 29 8.496 -3.687 9.227 1.00 1.34 H new ATOM 2097 N VAL B 30 10.747 -7.122 9.186 1.00 0.24 N ATOM 2098 CA VAL B 30 11.555 -7.977 10.048 1.00 0.31 C ATOM 2099 C VAL B 30 12.065 -9.203 9.295 1.00 0.33 C ATOM 2100 O VAL B 30 13.192 -9.647 9.504 1.00 0.38 O ATOM 2101 CB VAL B 30 10.753 -8.440 11.283 1.00 0.39 C ATOM 2102 CG1 VAL B 30 11.668 -9.090 12.311 1.00 1.01 C ATOM 2103 CG2 VAL B 30 10.001 -7.268 11.898 1.00 0.92 C ATOM 0 H VAL B 30 9.789 -6.992 9.511 1.00 0.24 H new ATOM 0 HA VAL B 30 12.407 -7.381 10.376 1.00 0.31 H new ATOM 0 HB VAL B 30 10.026 -9.185 10.959 1.00 0.39 H new ATOM 0 HG11 VAL B 30 11.080 -9.408 13.172 1.00 1.01 H new ATOM 0 HG12 VAL B 30 12.158 -9.956 11.866 1.00 1.01 H new ATOM 0 HG13 VAL B 30 12.423 -8.372 12.632 1.00 1.01 H new ATOM 0 HG21 VAL B 30 9.441 -7.611 12.768 1.00 0.92 H new ATOM 0 HG22 VAL B 30 10.712 -6.500 12.204 1.00 0.92 H new ATOM 0 HG23 VAL B 30 9.312 -6.852 11.163 1.00 0.92 H new ATOM 2113 N ALA B 31 11.240 -9.733 8.405 1.00 0.34 N ATOM 2114 CA ALA B 31 11.617 -10.906 7.629 1.00 0.40 C ATOM 2115 C ALA B 31 12.136 -10.506 6.254 1.00 0.39 C ATOM 2116 O ALA B 31 12.533 -11.354 5.455 1.00 0.45 O ATOM 2117 CB ALA B 31 10.434 -11.852 7.496 1.00 0.46 C ATOM 0 H ALA B 31 10.308 -9.372 8.202 1.00 0.34 H new ATOM 0 HA ALA B 31 12.420 -11.421 8.157 1.00 0.40 H new ATOM 0 HB1 ALA B 31 10.730 -12.725 6.914 1.00 0.46 H new ATOM 0 HB2 ALA B 31 10.109 -12.170 8.487 1.00 0.46 H new ATOM 0 HB3 ALA B 31 9.614 -11.340 6.992 1.00 0.46 H new ATOM 2123 N THR B 32 12.132 -9.209 5.983 1.00 0.36 N ATOM 2124 CA THR B 32 12.599 -8.698 4.707 1.00 0.38 C ATOM 2125 C THR B 32 14.065 -8.283 4.777 1.00 0.42 C ATOM 2126 O THR B 32 14.886 -8.734 3.980 1.00 0.48 O ATOM 2127 CB THR B 32 11.752 -7.497 4.249 1.00 0.37 C ATOM 2128 OG1 THR B 32 10.360 -7.822 4.330 1.00 0.36 O ATOM 2129 CG2 THR B 32 12.100 -7.100 2.823 1.00 0.44 C ATOM 0 H THR B 32 11.809 -8.492 6.633 1.00 0.36 H new ATOM 0 HA THR B 32 12.496 -9.506 3.983 1.00 0.38 H new ATOM 0 HB THR B 32 11.970 -6.656 4.907 1.00 0.37 H new ATOM 0 HG1 THR B 32 10.091 -7.875 5.271 1.00 0.36 H new ATOM 0 HG21 THR B 32 11.488 -6.249 2.523 1.00 0.44 H new ATOM 0 HG22 THR B 32 13.154 -6.827 2.768 1.00 0.44 H new ATOM 0 HG23 THR B 32 11.908 -7.939 2.154 1.00 0.44 H new ATOM 2137 N VAL B 33 14.393 -7.424 5.735 1.00 0.42 N ATOM 2138 CA VAL B 33 15.763 -6.948 5.886 1.00 0.52 C ATOM 2139 C VAL B 33 16.279 -7.162 7.304 1.00 0.57 C ATOM 2140 O VAL B 33 17.424 -6.828 7.613 1.00 0.99 O ATOM 2141 CB VAL B 33 15.891 -5.451 5.527 1.00 0.56 C ATOM 2142 CG1 VAL B 33 15.999 -5.272 4.022 1.00 0.67 C ATOM 2143 CG2 VAL B 33 14.717 -4.656 6.081 1.00 0.51 C ATOM 0 H VAL B 33 13.734 -7.045 6.415 1.00 0.42 H new ATOM 0 HA VAL B 33 16.367 -7.534 5.193 1.00 0.52 H new ATOM 0 HB VAL B 33 16.803 -5.068 5.986 1.00 0.56 H new ATOM 0 HG11 VAL B 33 16.088 -4.211 3.787 1.00 0.67 H new ATOM 0 HG12 VAL B 33 16.879 -5.800 3.655 1.00 0.67 H new ATOM 0 HG13 VAL B 33 15.107 -5.676 3.543 1.00 0.67 H new ATOM 0 HG21 VAL B 33 14.831 -3.605 5.815 1.00 0.51 H new ATOM 0 HG22 VAL B 33 13.787 -5.038 5.660 1.00 0.51 H new ATOM 0 HG23 VAL B 33 14.691 -4.754 7.166 1.00 0.51 H new ATOM 2153 N GLY B 34 15.431 -7.715 8.164 1.00 0.36 N ATOM 2154 CA GLY B 34 15.826 -7.957 9.540 1.00 0.38 C ATOM 2155 C GLY B 34 15.746 -6.707 10.390 1.00 0.33 C ATOM 2156 O GLY B 34 16.180 -6.702 11.540 1.00 0.38 O ATOM 0 H GLY B 34 14.479 -8.000 7.934 1.00 0.36 H new ATOM 0 HA2 GLY B 34 15.185 -8.727 9.969 1.00 0.38 H new ATOM 0 HA3 GLY B 34 16.845 -8.343 9.560 1.00 0.38 H new ATOM 2160 N TYR B 35 15.181 -5.654 9.822 1.00 0.32 N ATOM 2161 CA TYR B 35 15.039 -4.387 10.520 1.00 0.31 C ATOM 2162 C TYR B 35 13.707 -4.310 11.244 1.00 0.29 C ATOM 2163 O TYR B 35 12.728 -4.940 10.838 1.00 0.35 O ATOM 2164 CB TYR B 35 15.121 -3.220 9.535 1.00 0.33 C ATOM 2165 CG TYR B 35 16.518 -2.716 9.278 1.00 0.30 C ATOM 2166 CD1 TYR B 35 17.119 -1.809 10.142 1.00 0.39 C ATOM 2167 CD2 TYR B 35 17.229 -3.132 8.165 1.00 0.30 C ATOM 2168 CE1 TYR B 35 18.393 -1.337 9.901 1.00 0.39 C ATOM 2169 CE2 TYR B 35 18.501 -2.666 7.921 1.00 0.30 C ATOM 2170 CZ TYR B 35 19.077 -1.769 8.787 1.00 0.30 C ATOM 2171 OH TYR B 35 20.346 -1.305 8.537 1.00 0.34 O ATOM 0 H TYR B 35 14.811 -5.653 8.872 1.00 0.32 H new ATOM 0 HA TYR B 35 15.851 -4.322 11.244 1.00 0.31 H new ATOM 0 HB2 TYR B 35 14.680 -3.529 8.587 1.00 0.33 H new ATOM 0 HB3 TYR B 35 14.516 -2.397 9.915 1.00 0.33 H new ATOM 0 HD1 TYR B 35 16.581 -1.469 11.015 1.00 0.39 H new ATOM 0 HD2 TYR B 35 16.779 -3.833 7.478 1.00 0.30 H new ATOM 0 HE1 TYR B 35 18.850 -0.634 10.581 1.00 0.39 H new ATOM 0 HE2 TYR B 35 19.044 -3.005 7.051 1.00 0.30 H new ATOM 0 HH TYR B 35 20.301 -0.373 8.238 1.00 0.34 H new ATOM 2181 N GLN B 36 13.685 -3.551 12.322 1.00 0.30 N ATOM 2182 CA GLN B 36 12.473 -3.339 13.086 1.00 0.31 C ATOM 2183 C GLN B 36 11.758 -2.108 12.546 1.00 0.30 C ATOM 2184 O GLN B 36 12.409 -1.164 12.096 1.00 0.35 O ATOM 2185 CB GLN B 36 12.806 -3.140 14.565 1.00 0.40 C ATOM 2186 CG GLN B 36 13.223 -4.416 15.273 1.00 0.42 C ATOM 2187 CD GLN B 36 12.067 -5.374 15.457 1.00 0.81 C ATOM 2188 OE1 GLN B 36 11.327 -5.290 16.437 1.00 1.63 O ATOM 2189 NE2 GLN B 36 11.900 -6.290 14.517 1.00 1.29 N ATOM 0 H GLN B 36 14.503 -3.066 12.691 1.00 0.30 H new ATOM 0 HA GLN B 36 11.828 -4.213 12.992 1.00 0.31 H new ATOM 0 HB2 GLN B 36 13.608 -2.408 14.652 1.00 0.40 H new ATOM 0 HB3 GLN B 36 11.936 -2.722 15.071 1.00 0.40 H new ATOM 0 HG2 GLN B 36 14.010 -4.906 14.700 1.00 0.42 H new ATOM 0 HG3 GLN B 36 13.645 -4.167 16.247 1.00 0.42 H new ATOM 0 HE21 GLN B 36 12.536 -6.325 13.720 1.00 1.29 H new ATOM 0 HE22 GLN B 36 11.135 -6.961 14.589 1.00 1.29 H new ATOM 2198 N PRO B 37 10.419 -2.094 12.569 1.00 0.33 N ATOM 2199 CA PRO B 37 9.638 -0.955 12.076 1.00 0.35 C ATOM 2200 C PRO B 37 10.050 0.353 12.749 1.00 0.31 C ATOM 2201 O PRO B 37 10.070 1.414 12.126 1.00 0.30 O ATOM 2202 CB PRO B 37 8.197 -1.319 12.448 1.00 0.43 C ATOM 2203 CG PRO B 37 8.194 -2.804 12.563 1.00 0.49 C ATOM 2204 CD PRO B 37 9.561 -3.186 13.061 1.00 0.40 C ATOM 0 HA PRO B 37 9.783 -0.789 11.008 1.00 0.35 H new ATOM 0 HB2 PRO B 37 7.901 -0.850 13.386 1.00 0.43 H new ATOM 0 HB3 PRO B 37 7.495 -0.980 11.686 1.00 0.43 H new ATOM 0 HG2 PRO B 37 7.420 -3.140 13.253 1.00 0.49 H new ATOM 0 HG3 PRO B 37 7.986 -3.269 11.599 1.00 0.49 H new ATOM 0 HD2 PRO B 37 9.587 -3.259 14.148 1.00 0.40 H new ATOM 0 HD3 PRO B 37 9.876 -4.153 12.669 1.00 0.40 H new ATOM 2212 N GLN B 38 10.420 0.255 14.017 1.00 0.33 N ATOM 2213 CA GLN B 38 10.828 1.413 14.798 1.00 0.35 C ATOM 2214 C GLN B 38 12.212 1.917 14.387 1.00 0.34 C ATOM 2215 O GLN B 38 12.630 2.996 14.801 1.00 0.33 O ATOM 2216 CB GLN B 38 10.814 1.073 16.290 1.00 0.46 C ATOM 2217 CG GLN B 38 9.447 0.648 16.802 1.00 0.57 C ATOM 2218 CD GLN B 38 9.239 -0.856 16.763 1.00 1.14 C ATOM 2219 OE1 GLN B 38 9.864 -1.567 15.976 1.00 2.03 O ATOM 2220 NE2 GLN B 38 8.343 -1.345 17.603 1.00 1.34 N ATOM 0 H GLN B 38 10.446 -0.625 14.532 1.00 0.33 H new ATOM 0 HA GLN B 38 10.113 2.212 14.601 1.00 0.35 H new ATOM 0 HB2 GLN B 38 11.529 0.272 16.479 1.00 0.46 H new ATOM 0 HB3 GLN B 38 11.151 1.942 16.856 1.00 0.46 H new ATOM 0 HG2 GLN B 38 9.324 1.000 17.826 1.00 0.57 H new ATOM 0 HG3 GLN B 38 8.675 1.132 16.204 1.00 0.57 H new ATOM 0 HE21 GLN B 38 7.847 -0.721 18.239 1.00 1.34 H new ATOM 0 HE22 GLN B 38 8.148 -2.346 17.615 1.00 1.34 H new ATOM 2229 N GLU B 39 12.916 1.143 13.569 1.00 0.39 N ATOM 2230 CA GLU B 39 14.245 1.531 13.108 1.00 0.44 C ATOM 2231 C GLU B 39 14.143 2.410 11.870 1.00 0.44 C ATOM 2232 O GLU B 39 15.055 3.175 11.563 1.00 0.53 O ATOM 2233 CB GLU B 39 15.098 0.301 12.793 1.00 0.55 C ATOM 2234 CG GLU B 39 15.422 -0.541 14.011 1.00 0.59 C ATOM 2235 CD GLU B 39 16.414 -1.639 13.702 1.00 1.16 C ATOM 2236 OE1 GLU B 39 17.622 -1.346 13.615 1.00 1.59 O ATOM 2237 OE2 GLU B 39 15.994 -2.801 13.555 1.00 1.69 O ATOM 0 H GLU B 39 12.590 0.245 13.212 1.00 0.39 H new ATOM 0 HA GLU B 39 14.724 2.092 13.910 1.00 0.44 H new ATOM 0 HB2 GLU B 39 14.574 -0.317 12.063 1.00 0.55 H new ATOM 0 HB3 GLU B 39 16.029 0.624 12.327 1.00 0.55 H new ATOM 0 HG2 GLU B 39 15.825 0.099 14.796 1.00 0.59 H new ATOM 0 HG3 GLU B 39 14.504 -0.982 14.399 1.00 0.59 H new ATOM 2244 N LEU B 40 13.025 2.293 11.165 1.00 0.41 N ATOM 2245 CA LEU B 40 12.797 3.076 9.955 1.00 0.44 C ATOM 2246 C LEU B 40 12.015 4.342 10.284 1.00 0.40 C ATOM 2247 O LEU B 40 12.089 5.339 9.566 1.00 0.45 O ATOM 2248 CB LEU B 40 12.036 2.250 8.909 1.00 0.50 C ATOM 2249 CG LEU B 40 12.877 1.274 8.077 1.00 0.53 C ATOM 2250 CD1 LEU B 40 14.087 1.977 7.480 1.00 1.10 C ATOM 2251 CD2 LEU B 40 13.307 0.076 8.914 1.00 1.24 C ATOM 0 H LEU B 40 12.261 1.663 11.410 1.00 0.41 H new ATOM 0 HA LEU B 40 13.767 3.354 9.542 1.00 0.44 H new ATOM 0 HB2 LEU B 40 11.258 1.683 9.420 1.00 0.50 H new ATOM 0 HB3 LEU B 40 11.534 2.937 8.228 1.00 0.50 H new ATOM 0 HG LEU B 40 12.257 0.909 7.258 1.00 0.53 H new ATOM 0 HD11 LEU B 40 14.669 1.265 6.894 1.00 1.10 H new ATOM 0 HD12 LEU B 40 13.754 2.791 6.836 1.00 1.10 H new ATOM 0 HD13 LEU B 40 14.706 2.379 8.282 1.00 1.10 H new ATOM 0 HD21 LEU B 40 13.902 -0.601 8.301 1.00 1.24 H new ATOM 0 HD22 LEU B 40 13.903 0.418 9.760 1.00 1.24 H new ATOM 0 HD23 LEU B 40 12.424 -0.448 9.281 1.00 1.24 H new ATOM 2263 N LEU B 41 11.262 4.286 11.375 1.00 0.34 N ATOM 2264 CA LEU B 41 10.459 5.420 11.816 1.00 0.34 C ATOM 2265 C LEU B 41 11.338 6.625 12.124 1.00 0.38 C ATOM 2266 O LEU B 41 12.214 6.564 12.988 1.00 0.43 O ATOM 2267 CB LEU B 41 9.644 5.048 13.056 1.00 0.29 C ATOM 2268 CG LEU B 41 8.478 4.091 12.809 1.00 0.28 C ATOM 2269 CD1 LEU B 41 7.881 3.630 14.128 1.00 0.30 C ATOM 2270 CD2 LEU B 41 7.418 4.760 11.949 1.00 0.30 C ATOM 0 H LEU B 41 11.190 3.463 11.974 1.00 0.34 H new ATOM 0 HA LEU B 41 9.780 5.682 11.005 1.00 0.34 H new ATOM 0 HB2 LEU B 41 10.313 4.597 13.789 1.00 0.29 H new ATOM 0 HB3 LEU B 41 9.253 5.963 13.502 1.00 0.29 H new ATOM 0 HG LEU B 41 8.853 3.217 12.277 1.00 0.28 H new ATOM 0 HD11 LEU B 41 7.052 2.949 13.934 1.00 0.30 H new ATOM 0 HD12 LEU B 41 8.644 3.116 14.713 1.00 0.30 H new ATOM 0 HD13 LEU B 41 7.518 4.494 14.685 1.00 0.30 H new ATOM 0 HD21 LEU B 41 6.594 4.066 11.782 1.00 0.30 H new ATOM 0 HD22 LEU B 41 7.046 5.650 12.457 1.00 0.30 H new ATOM 0 HD23 LEU B 41 7.853 5.044 10.991 1.00 0.30 H new ATOM 2282 N GLY B 42 11.109 7.710 11.398 1.00 0.43 N ATOM 2283 CA GLY B 42 11.879 8.923 11.607 1.00 0.51 C ATOM 2284 C GLY B 42 13.264 8.858 10.995 1.00 0.49 C ATOM 2285 O GLY B 42 14.126 9.680 11.310 1.00 0.53 O ATOM 0 H GLY B 42 10.402 7.774 10.666 1.00 0.43 H new ATOM 0 HA2 GLY B 42 11.339 9.768 11.180 1.00 0.51 H new ATOM 0 HA3 GLY B 42 11.969 9.110 12.677 1.00 0.51 H new ATOM 2289 N LYS B 43 13.481 7.883 10.125 1.00 0.46 N ATOM 2290 CA LYS B 43 14.765 7.717 9.463 1.00 0.47 C ATOM 2291 C LYS B 43 14.602 7.856 7.959 1.00 0.40 C ATOM 2292 O LYS B 43 13.498 7.702 7.431 1.00 0.50 O ATOM 2293 CB LYS B 43 15.369 6.348 9.794 1.00 0.57 C ATOM 2294 CG LYS B 43 15.893 6.228 11.217 1.00 0.73 C ATOM 2295 CD LYS B 43 17.328 6.715 11.335 1.00 0.81 C ATOM 2296 CE LYS B 43 17.401 8.228 11.464 1.00 1.70 C ATOM 2297 NZ LYS B 43 18.788 8.731 11.292 1.00 2.45 N ATOM 0 H LYS B 43 12.780 7.191 9.860 1.00 0.46 H new ATOM 0 HA LYS B 43 15.439 8.494 9.823 1.00 0.47 H new ATOM 0 HB2 LYS B 43 14.613 5.580 9.631 1.00 0.57 H new ATOM 0 HB3 LYS B 43 16.184 6.145 9.100 1.00 0.57 H new ATOM 0 HG2 LYS B 43 15.257 6.806 11.888 1.00 0.73 H new ATOM 0 HG3 LYS B 43 15.835 5.188 11.539 1.00 0.73 H new ATOM 0 HD2 LYS B 43 17.799 6.253 12.203 1.00 0.81 H new ATOM 0 HD3 LYS B 43 17.893 6.397 10.459 1.00 0.81 H new ATOM 0 HE2 LYS B 43 16.753 8.688 10.718 1.00 1.70 H new ATOM 0 HE3 LYS B 43 17.024 8.528 12.442 1.00 1.70 H new ATOM 0 HZ1 LYS B 43 18.762 9.688 10.887 1.00 2.45 H new ATOM 0 HZ2 LYS B 43 19.264 8.759 12.216 1.00 2.45 H new ATOM 0 HZ3 LYS B 43 19.310 8.098 10.653 1.00 2.45 H new ATOM 2311 N ASN B 44 15.696 8.156 7.276 1.00 0.32 N ATOM 2312 CA ASN B 44 15.675 8.308 5.831 1.00 0.29 C ATOM 2313 C ASN B 44 15.994 6.984 5.164 1.00 0.28 C ATOM 2314 O ASN B 44 16.926 6.287 5.564 1.00 0.30 O ATOM 2315 CB ASN B 44 16.690 9.358 5.371 1.00 0.30 C ATOM 2316 CG ASN B 44 16.153 10.773 5.428 1.00 0.91 C ATOM 2317 OD1 ASN B 44 16.292 11.462 6.436 1.00 1.92 O ATOM 2318 ND2 ASN B 44 15.556 11.225 4.338 1.00 0.70 N ATOM 0 H ASN B 44 16.612 8.299 7.702 1.00 0.32 H new ATOM 0 HA ASN B 44 14.676 8.637 5.545 1.00 0.29 H new ATOM 0 HB2 ASN B 44 17.582 9.289 5.994 1.00 0.30 H new ATOM 0 HB3 ASN B 44 16.997 9.134 4.349 1.00 0.30 H new ATOM 0 HD21 ASN B 44 15.191 12.177 4.314 1.00 0.70 H new ATOM 0 HD22 ASN B 44 15.460 10.621 3.521 1.00 0.70 H new ATOM 2325 N ILE B 45 15.229 6.643 4.141 1.00 0.25 N ATOM 2326 CA ILE B 45 15.442 5.400 3.409 1.00 0.25 C ATOM 2327 C ILE B 45 16.819 5.406 2.732 1.00 0.24 C ATOM 2328 O ILE B 45 17.416 4.358 2.490 1.00 0.31 O ATOM 2329 CB ILE B 45 14.329 5.177 2.356 1.00 0.25 C ATOM 2330 CG1 ILE B 45 14.491 3.818 1.664 1.00 0.27 C ATOM 2331 CG2 ILE B 45 14.326 6.302 1.333 1.00 0.24 C ATOM 2332 CD1 ILE B 45 13.336 3.457 0.754 1.00 0.28 C ATOM 0 H ILE B 45 14.453 7.208 3.796 1.00 0.25 H new ATOM 0 HA ILE B 45 15.405 4.578 4.124 1.00 0.25 H new ATOM 0 HB ILE B 45 13.370 5.180 2.874 1.00 0.25 H new ATOM 0 HG12 ILE B 45 15.412 3.824 1.082 1.00 0.27 H new ATOM 0 HG13 ILE B 45 14.599 3.044 2.424 1.00 0.27 H new ATOM 0 HG21 ILE B 45 13.537 6.127 0.602 1.00 0.24 H new ATOM 0 HG22 ILE B 45 14.149 7.252 1.837 1.00 0.24 H new ATOM 0 HG23 ILE B 45 15.290 6.335 0.825 1.00 0.24 H new ATOM 0 HD11 ILE B 45 13.521 2.483 0.300 1.00 0.28 H new ATOM 0 HD12 ILE B 45 12.414 3.418 1.334 1.00 0.28 H new ATOM 0 HD13 ILE B 45 13.240 4.210 -0.028 1.00 0.28 H new ATOM 2344 N VAL B 46 17.327 6.607 2.465 1.00 0.21 N ATOM 2345 CA VAL B 46 18.625 6.783 1.824 1.00 0.23 C ATOM 2346 C VAL B 46 19.777 6.456 2.786 1.00 0.23 C ATOM 2347 O VAL B 46 20.915 6.247 2.361 1.00 0.29 O ATOM 2348 CB VAL B 46 18.777 8.230 1.290 1.00 0.26 C ATOM 2349 CG1 VAL B 46 18.909 9.227 2.435 1.00 1.08 C ATOM 2350 CG2 VAL B 46 19.959 8.340 0.339 1.00 1.15 C ATOM 0 H VAL B 46 16.851 7.482 2.686 1.00 0.21 H new ATOM 0 HA VAL B 46 18.674 6.087 0.987 1.00 0.23 H new ATOM 0 HB VAL B 46 17.872 8.475 0.734 1.00 0.26 H new ATOM 0 HG11 VAL B 46 19.014 10.234 2.031 1.00 1.08 H new ATOM 0 HG12 VAL B 46 18.020 9.179 3.063 1.00 1.08 H new ATOM 0 HG13 VAL B 46 19.788 8.982 3.031 1.00 1.08 H new ATOM 0 HG21 VAL B 46 20.042 9.366 -0.021 1.00 1.15 H new ATOM 0 HG22 VAL B 46 20.874 8.063 0.863 1.00 1.15 H new ATOM 0 HG23 VAL B 46 19.809 7.670 -0.507 1.00 1.15 H new ATOM 2360 N GLU B 47 19.477 6.392 4.079 1.00 0.23 N ATOM 2361 CA GLU B 47 20.492 6.095 5.086 1.00 0.27 C ATOM 2362 C GLU B 47 20.921 4.636 5.004 1.00 0.25 C ATOM 2363 O GLU B 47 22.084 4.304 5.234 1.00 0.35 O ATOM 2364 CB GLU B 47 19.965 6.403 6.488 1.00 0.34 C ATOM 2365 CG GLU B 47 19.805 7.888 6.767 1.00 0.42 C ATOM 2366 CD GLU B 47 19.347 8.164 8.184 1.00 1.07 C ATOM 2367 OE1 GLU B 47 20.113 7.874 9.128 1.00 1.06 O ATOM 2368 OE2 GLU B 47 18.222 8.673 8.365 1.00 1.96 O ATOM 0 H GLU B 47 18.541 6.541 4.455 1.00 0.23 H new ATOM 0 HA GLU B 47 21.358 6.727 4.888 1.00 0.27 H new ATOM 0 HB2 GLU B 47 19.001 5.911 6.621 1.00 0.34 H new ATOM 0 HB3 GLU B 47 20.645 5.975 7.224 1.00 0.34 H new ATOM 0 HG2 GLU B 47 20.755 8.392 6.591 1.00 0.42 H new ATOM 0 HG3 GLU B 47 19.085 8.311 6.067 1.00 0.42 H new ATOM 2375 N PHE B 48 19.978 3.770 4.664 1.00 0.22 N ATOM 2376 CA PHE B 48 20.253 2.345 4.551 1.00 0.26 C ATOM 2377 C PHE B 48 20.271 1.932 3.085 1.00 0.26 C ATOM 2378 O PHE B 48 20.160 0.751 2.754 1.00 0.33 O ATOM 2379 CB PHE B 48 19.198 1.535 5.310 1.00 0.32 C ATOM 2380 CG PHE B 48 18.872 2.084 6.672 1.00 0.35 C ATOM 2381 CD1 PHE B 48 19.711 1.848 7.748 1.00 0.40 C ATOM 2382 CD2 PHE B 48 17.725 2.834 6.873 1.00 0.39 C ATOM 2383 CE1 PHE B 48 19.412 2.351 9.001 1.00 0.45 C ATOM 2384 CE2 PHE B 48 17.421 3.339 8.122 1.00 0.45 C ATOM 2385 CZ PHE B 48 18.266 3.098 9.187 1.00 0.46 C ATOM 0 H PHE B 48 19.013 4.030 4.461 1.00 0.22 H new ATOM 0 HA PHE B 48 21.230 2.143 4.990 1.00 0.26 H new ATOM 0 HB2 PHE B 48 18.285 1.499 4.716 1.00 0.32 H new ATOM 0 HB3 PHE B 48 19.550 0.509 5.417 1.00 0.32 H new ATOM 0 HD1 PHE B 48 20.609 1.265 7.607 1.00 0.40 H new ATOM 0 HD2 PHE B 48 17.061 3.026 6.043 1.00 0.39 H new ATOM 0 HE1 PHE B 48 20.074 2.160 9.833 1.00 0.45 H new ATOM 0 HE2 PHE B 48 16.523 3.922 8.266 1.00 0.45 H new ATOM 0 HZ PHE B 48 18.031 3.493 10.164 1.00 0.46 H new ATOM 2395 N CYS B 49 20.413 2.917 2.213 1.00 0.23 N ATOM 2396 CA CYS B 49 20.439 2.674 0.783 1.00 0.28 C ATOM 2397 C CYS B 49 21.870 2.642 0.268 1.00 0.30 C ATOM 2398 O CYS B 49 22.753 3.311 0.812 1.00 0.38 O ATOM 2399 CB CYS B 49 19.637 3.754 0.052 1.00 0.31 C ATOM 2400 SG CYS B 49 19.661 3.617 -1.751 1.00 1.17 S ATOM 0 H CYS B 49 20.512 3.898 2.475 1.00 0.23 H new ATOM 0 HA CYS B 49 19.984 1.703 0.589 1.00 0.28 H new ATOM 0 HB2 CYS B 49 18.602 3.713 0.393 1.00 0.31 H new ATOM 0 HB3 CYS B 49 20.027 4.732 0.334 1.00 0.31 H new ATOM 0 HG CYS B 49 18.965 2.582 -2.117 1.00 1.17 H new ATOM 2406 N HIS B 50 22.085 1.844 -0.772 1.00 0.32 N ATOM 2407 CA HIS B 50 23.390 1.704 -1.399 1.00 0.38 C ATOM 2408 C HIS B 50 23.884 3.060 -1.888 1.00 0.32 C ATOM 2409 O HIS B 50 23.194 3.724 -2.653 1.00 0.31 O ATOM 2410 CB HIS B 50 23.282 0.732 -2.574 1.00 0.54 C ATOM 2411 CG HIS B 50 24.575 0.104 -2.981 1.00 0.41 C ATOM 2412 ND1 HIS B 50 24.876 -0.190 -4.288 1.00 1.06 N ATOM 2413 CD2 HIS B 50 25.632 -0.315 -2.250 1.00 1.18 C ATOM 2414 CE1 HIS B 50 26.060 -0.764 -4.346 1.00 0.87 C ATOM 2415 NE2 HIS B 50 26.540 -0.850 -3.123 1.00 1.08 N ATOM 0 H HIS B 50 21.356 1.276 -1.203 1.00 0.32 H new ATOM 0 HA HIS B 50 24.102 1.316 -0.670 1.00 0.38 H new ATOM 0 HB2 HIS B 50 22.576 -0.057 -2.313 1.00 0.54 H new ATOM 0 HB3 HIS B 50 22.865 1.262 -3.430 1.00 0.54 H new ATOM 0 HD1 HIS B 50 24.276 0.006 -5.089 1.00 1.06 H new ATOM 0 HD2 HIS B 50 25.740 -0.241 -1.178 1.00 1.18 H new ATOM 0 HE1 HIS B 50 26.553 -1.106 -5.244 1.00 0.87 H new ATOM 2424 N PRO B 51 25.081 3.490 -1.445 1.00 0.35 N ATOM 2425 CA PRO B 51 25.664 4.786 -1.828 1.00 0.38 C ATOM 2426 C PRO B 51 25.592 5.076 -3.328 1.00 0.36 C ATOM 2427 O PRO B 51 25.202 6.169 -3.735 1.00 0.46 O ATOM 2428 CB PRO B 51 27.117 4.655 -1.380 1.00 0.47 C ATOM 2429 CG PRO B 51 27.062 3.734 -0.213 1.00 0.72 C ATOM 2430 CD PRO B 51 25.961 2.752 -0.514 1.00 0.44 C ATOM 0 HA PRO B 51 25.121 5.614 -1.373 1.00 0.38 H new ATOM 0 HB2 PRO B 51 27.743 4.252 -2.176 1.00 0.47 H new ATOM 0 HB3 PRO B 51 27.536 5.622 -1.104 1.00 0.47 H new ATOM 0 HG2 PRO B 51 28.014 3.222 -0.074 1.00 0.72 H new ATOM 0 HG3 PRO B 51 26.857 4.281 0.707 1.00 0.72 H new ATOM 0 HD2 PRO B 51 26.350 1.840 -0.968 1.00 0.44 H new ATOM 0 HD3 PRO B 51 25.429 2.456 0.390 1.00 0.44 H new ATOM 2438 N GLU B 52 25.945 4.090 -4.140 1.00 0.37 N ATOM 2439 CA GLU B 52 25.939 4.242 -5.593 1.00 0.38 C ATOM 2440 C GLU B 52 24.534 4.101 -6.185 1.00 0.37 C ATOM 2441 O GLU B 52 24.362 4.137 -7.403 1.00 0.40 O ATOM 2442 CB GLU B 52 26.871 3.207 -6.226 1.00 0.45 C ATOM 2443 CG GLU B 52 28.229 3.111 -5.545 1.00 0.78 C ATOM 2444 CD GLU B 52 28.301 1.987 -4.531 1.00 1.36 C ATOM 2445 OE1 GLU B 52 27.570 2.036 -3.520 1.00 2.04 O ATOM 2446 OE2 GLU B 52 29.089 1.042 -4.745 1.00 1.70 O ATOM 0 H GLU B 52 26.242 3.169 -3.817 1.00 0.37 H new ATOM 0 HA GLU B 52 26.290 5.249 -5.817 1.00 0.38 H new ATOM 0 HB2 GLU B 52 26.389 2.230 -6.196 1.00 0.45 H new ATOM 0 HB3 GLU B 52 27.018 3.457 -7.277 1.00 0.45 H new ATOM 0 HG2 GLU B 52 29.000 2.961 -6.301 1.00 0.78 H new ATOM 0 HG3 GLU B 52 28.449 4.056 -5.049 1.00 0.78 H new ATOM 2453 N ASP B 53 23.534 3.942 -5.330 1.00 0.36 N ATOM 2454 CA ASP B 53 22.157 3.792 -5.789 1.00 0.37 C ATOM 2455 C ASP B 53 21.239 4.790 -5.092 1.00 0.38 C ATOM 2456 O ASP B 53 20.023 4.778 -5.291 1.00 0.42 O ATOM 2457 CB ASP B 53 21.663 2.364 -5.539 1.00 0.47 C ATOM 2458 CG ASP B 53 22.251 1.364 -6.514 1.00 0.48 C ATOM 2459 OD1 ASP B 53 21.868 1.387 -7.701 1.00 1.09 O ATOM 2460 OD2 ASP B 53 23.098 0.541 -6.094 1.00 1.10 O ATOM 0 H ASP B 53 23.648 3.913 -4.317 1.00 0.36 H new ATOM 0 HA ASP B 53 22.135 3.993 -6.860 1.00 0.37 H new ATOM 0 HB2 ASP B 53 21.919 2.068 -4.522 1.00 0.47 H new ATOM 0 HB3 ASP B 53 20.576 2.342 -5.613 1.00 0.47 H new ATOM 2465 N GLN B 54 21.834 5.663 -4.286 1.00 0.41 N ATOM 2466 CA GLN B 54 21.076 6.670 -3.549 1.00 0.47 C ATOM 2467 C GLN B 54 20.416 7.658 -4.500 1.00 0.50 C ATOM 2468 O GLN B 54 19.241 7.992 -4.342 1.00 0.53 O ATOM 2469 CB GLN B 54 21.980 7.407 -2.560 1.00 0.56 C ATOM 2470 CG GLN B 54 22.561 6.494 -1.496 1.00 0.65 C ATOM 2471 CD GLN B 54 23.507 7.206 -0.552 1.00 0.69 C ATOM 2472 OE1 GLN B 54 24.113 8.221 -0.901 1.00 1.10 O ATOM 2473 NE2 GLN B 54 23.658 6.664 0.643 1.00 0.80 N ATOM 0 H GLN B 54 22.841 5.694 -4.126 1.00 0.41 H new ATOM 0 HA GLN B 54 20.292 6.159 -2.990 1.00 0.47 H new ATOM 0 HB2 GLN B 54 22.794 7.884 -3.106 1.00 0.56 H new ATOM 0 HB3 GLN B 54 21.411 8.202 -2.078 1.00 0.56 H new ATOM 0 HG2 GLN B 54 21.747 6.053 -0.921 1.00 0.65 H new ATOM 0 HG3 GLN B 54 23.090 5.673 -1.980 1.00 0.65 H new ATOM 0 HE21 GLN B 54 23.137 5.823 0.891 1.00 0.80 H new ATOM 0 HE22 GLN B 54 24.296 7.086 1.318 1.00 0.80 H new ATOM 2482 N GLN B 55 21.172 8.116 -5.491 1.00 0.54 N ATOM 2483 CA GLN B 55 20.652 9.054 -6.474 1.00 0.61 C ATOM 2484 C GLN B 55 19.519 8.408 -7.262 1.00 0.52 C ATOM 2485 O GLN B 55 18.518 9.052 -7.560 1.00 0.52 O ATOM 2486 CB GLN B 55 21.769 9.526 -7.412 1.00 0.76 C ATOM 2487 CG GLN B 55 21.315 10.531 -8.464 1.00 1.33 C ATOM 2488 CD GLN B 55 20.573 11.723 -7.878 1.00 1.73 C ATOM 2489 OE1 GLN B 55 20.811 12.127 -6.740 1.00 2.72 O ATOM 2490 NE2 GLN B 55 19.673 12.297 -8.658 1.00 1.51 N ATOM 0 H GLN B 55 22.147 7.852 -5.634 1.00 0.54 H new ATOM 0 HA GLN B 55 20.259 9.927 -5.954 1.00 0.61 H new ATOM 0 HB2 GLN B 55 22.564 9.974 -6.816 1.00 0.76 H new ATOM 0 HB3 GLN B 55 22.198 8.659 -7.914 1.00 0.76 H new ATOM 0 HG2 GLN B 55 22.185 10.889 -9.014 1.00 1.33 H new ATOM 0 HG3 GLN B 55 20.669 10.027 -9.183 1.00 1.33 H new ATOM 0 HE21 GLN B 55 19.504 11.933 -9.596 1.00 1.51 H new ATOM 0 HE22 GLN B 55 19.148 13.104 -8.322 1.00 1.51 H new ATOM 2499 N LEU B 56 19.680 7.127 -7.581 1.00 0.51 N ATOM 2500 CA LEU B 56 18.659 6.385 -8.311 1.00 0.51 C ATOM 2501 C LEU B 56 17.362 6.359 -7.509 1.00 0.42 C ATOM 2502 O LEU B 56 16.277 6.576 -8.053 1.00 0.42 O ATOM 2503 CB LEU B 56 19.130 4.954 -8.598 1.00 0.60 C ATOM 2504 CG LEU B 56 18.231 4.152 -9.541 1.00 0.63 C ATOM 2505 CD1 LEU B 56 18.161 4.820 -10.904 1.00 1.29 C ATOM 2506 CD2 LEU B 56 18.736 2.724 -9.671 1.00 1.42 C ATOM 0 H LEU B 56 20.509 6.581 -7.345 1.00 0.51 H new ATOM 0 HA LEU B 56 18.481 6.885 -9.263 1.00 0.51 H new ATOM 0 HB2 LEU B 56 20.132 4.997 -9.025 1.00 0.60 H new ATOM 0 HB3 LEU B 56 19.209 4.417 -7.652 1.00 0.60 H new ATOM 0 HG LEU B 56 17.226 4.124 -9.120 1.00 0.63 H new ATOM 0 HD11 LEU B 56 17.518 4.237 -11.563 1.00 1.29 H new ATOM 0 HD12 LEU B 56 17.754 5.825 -10.796 1.00 1.29 H new ATOM 0 HD13 LEU B 56 19.162 4.878 -11.333 1.00 1.29 H new ATOM 0 HD21 LEU B 56 18.085 2.168 -10.345 1.00 1.42 H new ATOM 0 HD22 LEU B 56 19.750 2.732 -10.070 1.00 1.42 H new ATOM 0 HD23 LEU B 56 18.735 2.247 -8.691 1.00 1.42 H new ATOM 2518 N LEU B 57 17.485 6.102 -6.213 1.00 0.40 N ATOM 2519 CA LEU B 57 16.333 6.069 -5.323 1.00 0.39 C ATOM 2520 C LEU B 57 15.666 7.437 -5.295 1.00 0.37 C ATOM 2521 O LEU B 57 14.453 7.560 -5.473 1.00 0.39 O ATOM 2522 CB LEU B 57 16.770 5.685 -3.906 1.00 0.48 C ATOM 2523 CG LEU B 57 16.035 4.496 -3.282 1.00 0.60 C ATOM 2524 CD1 LEU B 57 16.183 4.525 -1.770 1.00 1.01 C ATOM 2525 CD2 LEU B 57 14.565 4.493 -3.674 1.00 1.15 C ATOM 0 H LEU B 57 18.376 5.913 -5.754 1.00 0.40 H new ATOM 0 HA LEU B 57 15.626 5.326 -5.691 1.00 0.39 H new ATOM 0 HB2 LEU B 57 17.836 5.460 -3.923 1.00 0.48 H new ATOM 0 HB3 LEU B 57 16.637 6.551 -3.258 1.00 0.48 H new ATOM 0 HG LEU B 57 16.484 3.579 -3.663 1.00 0.60 H new ATOM 0 HD11 LEU B 57 15.656 3.675 -1.336 1.00 1.01 H new ATOM 0 HD12 LEU B 57 17.239 4.470 -1.507 1.00 1.01 H new ATOM 0 HD13 LEU B 57 15.760 5.451 -1.381 1.00 1.01 H new ATOM 0 HD21 LEU B 57 14.068 3.637 -3.216 1.00 1.15 H new ATOM 0 HD22 LEU B 57 14.094 5.413 -3.328 1.00 1.15 H new ATOM 0 HD23 LEU B 57 14.478 4.426 -4.758 1.00 1.15 H new ATOM 2537 N ARG B 58 16.484 8.459 -5.091 1.00 0.42 N ATOM 2538 CA ARG B 58 16.022 9.837 -5.040 1.00 0.50 C ATOM 2539 C ARG B 58 15.321 10.221 -6.341 1.00 0.44 C ATOM 2540 O ARG B 58 14.230 10.789 -6.331 1.00 0.44 O ATOM 2541 CB ARG B 58 17.218 10.752 -4.795 1.00 0.65 C ATOM 2542 CG ARG B 58 16.861 12.210 -4.599 1.00 1.08 C ATOM 2543 CD ARG B 58 18.107 13.037 -4.354 1.00 1.12 C ATOM 2544 NE ARG B 58 17.791 14.423 -4.026 1.00 1.90 N ATOM 2545 CZ ARG B 58 18.699 15.391 -3.970 1.00 2.21 C ATOM 2546 NH1 ARG B 58 19.976 15.122 -4.214 1.00 1.97 N ATOM 2547 NH2 ARG B 58 18.337 16.627 -3.664 1.00 3.01 N ATOM 0 H ARG B 58 17.490 8.355 -4.956 1.00 0.42 H new ATOM 0 HA ARG B 58 15.303 9.945 -4.227 1.00 0.50 H new ATOM 0 HB2 ARG B 58 17.754 10.400 -3.914 1.00 0.65 H new ATOM 0 HB3 ARG B 58 17.903 10.669 -5.639 1.00 0.65 H new ATOM 0 HG2 ARG B 58 16.338 12.583 -5.479 1.00 1.08 H new ATOM 0 HG3 ARG B 58 16.178 12.312 -3.755 1.00 1.08 H new ATOM 0 HD2 ARG B 58 18.681 12.594 -3.540 1.00 1.12 H new ATOM 0 HD3 ARG B 58 18.739 13.010 -5.241 1.00 1.12 H new ATOM 0 HE ARG B 58 16.819 14.662 -3.829 1.00 1.90 H new ATOM 0 HH11 ARG B 58 20.262 14.170 -4.445 1.00 1.97 H new ATOM 0 HH12 ARG B 58 20.671 15.867 -4.170 1.00 1.97 H new ATOM 0 HH21 ARG B 58 17.358 16.839 -3.470 1.00 3.01 H new ATOM 0 HH22 ARG B 58 19.037 17.368 -3.622 1.00 3.01 H new ATOM 2561 N ASP B 59 15.957 9.886 -7.456 1.00 0.42 N ATOM 2562 CA ASP B 59 15.420 10.174 -8.780 1.00 0.43 C ATOM 2563 C ASP B 59 14.061 9.513 -8.971 1.00 0.37 C ATOM 2564 O ASP B 59 13.123 10.131 -9.476 1.00 0.39 O ATOM 2565 CB ASP B 59 16.391 9.686 -9.858 1.00 0.49 C ATOM 2566 CG ASP B 59 15.782 9.704 -11.242 1.00 0.58 C ATOM 2567 OD1 ASP B 59 15.780 10.779 -11.881 1.00 0.76 O ATOM 2568 OD2 ASP B 59 15.307 8.645 -11.703 1.00 0.78 O ATOM 0 H ASP B 59 16.858 9.408 -7.469 1.00 0.42 H new ATOM 0 HA ASP B 59 15.294 11.253 -8.869 1.00 0.43 H new ATOM 0 HB2 ASP B 59 17.282 10.313 -9.849 1.00 0.49 H new ATOM 0 HB3 ASP B 59 16.712 8.672 -9.620 1.00 0.49 H new ATOM 2573 N SER B 60 13.960 8.258 -8.551 1.00 0.33 N ATOM 2574 CA SER B 60 12.719 7.505 -8.670 1.00 0.33 C ATOM 2575 C SER B 60 11.615 8.128 -7.822 1.00 0.28 C ATOM 2576 O SER B 60 10.450 8.151 -8.225 1.00 0.29 O ATOM 2577 CB SER B 60 12.950 6.050 -8.263 1.00 0.39 C ATOM 2578 OG SER B 60 14.032 5.491 -8.992 1.00 1.41 O ATOM 0 H SER B 60 14.727 7.739 -8.123 1.00 0.33 H new ATOM 0 HA SER B 60 12.397 7.535 -9.711 1.00 0.33 H new ATOM 0 HB2 SER B 60 13.158 5.995 -7.194 1.00 0.39 H new ATOM 0 HB3 SER B 60 12.045 5.469 -8.442 1.00 0.39 H new ATOM 0 HG SER B 60 14.874 5.693 -8.534 1.00 1.41 H new ATOM 2584 N PHE B 61 11.989 8.639 -6.652 1.00 0.30 N ATOM 2585 CA PHE B 61 11.033 9.277 -5.757 1.00 0.32 C ATOM 2586 C PHE B 61 10.435 10.505 -6.421 1.00 0.33 C ATOM 2587 O PHE B 61 9.223 10.702 -6.407 1.00 0.34 O ATOM 2588 CB PHE B 61 11.695 9.669 -4.436 1.00 0.39 C ATOM 2589 CG PHE B 61 11.901 8.516 -3.497 1.00 0.43 C ATOM 2590 CD1 PHE B 61 11.106 7.384 -3.582 1.00 0.62 C ATOM 2591 CD2 PHE B 61 12.888 8.565 -2.527 1.00 0.59 C ATOM 2592 CE1 PHE B 61 11.293 6.323 -2.718 1.00 0.70 C ATOM 2593 CE2 PHE B 61 13.079 7.508 -1.660 1.00 0.65 C ATOM 2594 CZ PHE B 61 12.280 6.385 -1.756 1.00 0.60 C ATOM 0 H PHE B 61 12.947 8.623 -6.303 1.00 0.30 H new ATOM 0 HA PHE B 61 10.239 8.561 -5.543 1.00 0.32 H new ATOM 0 HB2 PHE B 61 12.660 10.131 -4.647 1.00 0.39 H new ATOM 0 HB3 PHE B 61 11.082 10.423 -3.942 1.00 0.39 H new ATOM 0 HD1 PHE B 61 10.331 7.331 -4.333 1.00 0.62 H new ATOM 0 HD2 PHE B 61 13.516 9.440 -2.448 1.00 0.59 H new ATOM 0 HE1 PHE B 61 10.668 5.446 -2.795 1.00 0.70 H new ATOM 0 HE2 PHE B 61 13.852 7.559 -0.908 1.00 0.65 H new ATOM 0 HZ PHE B 61 12.428 5.557 -1.079 1.00 0.60 H new ATOM 2604 N GLN B 62 11.290 11.320 -7.017 1.00 0.35 N ATOM 2605 CA GLN B 62 10.834 12.520 -7.702 1.00 0.41 C ATOM 2606 C GLN B 62 9.981 12.138 -8.909 1.00 0.37 C ATOM 2607 O GLN B 62 8.983 12.790 -9.208 1.00 0.40 O ATOM 2608 CB GLN B 62 12.027 13.370 -8.146 1.00 0.52 C ATOM 2609 CG GLN B 62 13.040 13.618 -7.040 1.00 0.79 C ATOM 2610 CD GLN B 62 12.475 14.429 -5.889 1.00 1.44 C ATOM 2611 OE1 GLN B 62 12.724 14.125 -4.721 1.00 2.08 O ATOM 2612 NE2 GLN B 62 11.735 15.481 -6.206 1.00 2.12 N ATOM 0 H GLN B 62 12.299 11.174 -7.041 1.00 0.35 H new ATOM 0 HA GLN B 62 10.230 13.108 -7.012 1.00 0.41 H new ATOM 0 HB2 GLN B 62 12.525 12.875 -8.980 1.00 0.52 H new ATOM 0 HB3 GLN B 62 11.663 14.328 -8.516 1.00 0.52 H new ATOM 0 HG2 GLN B 62 13.398 12.661 -6.661 1.00 0.79 H new ATOM 0 HG3 GLN B 62 13.903 14.139 -7.455 1.00 0.79 H new ATOM 0 HE21 GLN B 62 11.552 15.699 -7.185 1.00 2.12 H new ATOM 0 HE22 GLN B 62 11.349 16.073 -5.471 1.00 2.12 H new ATOM 2621 N GLN B 63 10.367 11.054 -9.576 1.00 0.34 N ATOM 2622 CA GLN B 63 9.648 10.571 -10.750 1.00 0.36 C ATOM 2623 C GLN B 63 8.229 10.128 -10.396 1.00 0.29 C ATOM 2624 O GLN B 63 7.271 10.525 -11.058 1.00 0.32 O ATOM 2625 CB GLN B 63 10.406 9.416 -11.406 1.00 0.44 C ATOM 2626 CG GLN B 63 11.395 9.862 -12.467 1.00 0.66 C ATOM 2627 CD GLN B 63 11.818 8.726 -13.376 1.00 0.76 C ATOM 2628 OE1 GLN B 63 11.125 8.397 -14.337 1.00 1.33 O ATOM 2629 NE2 GLN B 63 12.967 8.133 -13.095 1.00 1.23 N ATOM 0 H GLN B 63 11.178 10.491 -9.321 1.00 0.34 H new ATOM 0 HA GLN B 63 9.579 11.400 -11.455 1.00 0.36 H new ATOM 0 HB2 GLN B 63 10.939 8.859 -10.636 1.00 0.44 H new ATOM 0 HB3 GLN B 63 9.688 8.730 -11.856 1.00 0.44 H new ATOM 0 HG2 GLN B 63 10.948 10.656 -13.066 1.00 0.66 H new ATOM 0 HG3 GLN B 63 12.276 10.285 -11.984 1.00 0.66 H new ATOM 0 HE21 GLN B 63 13.513 8.435 -12.288 1.00 1.23 H new ATOM 0 HE22 GLN B 63 13.307 7.374 -13.685 1.00 1.23 H new ATOM 2638 N VAL B 64 8.090 9.321 -9.345 1.00 0.26 N ATOM 2639 CA VAL B 64 6.775 8.838 -8.933 1.00 0.26 C ATOM 2640 C VAL B 64 5.888 10.001 -8.475 1.00 0.26 C ATOM 2641 O VAL B 64 4.663 9.958 -8.624 1.00 0.28 O ATOM 2642 CB VAL B 64 6.868 7.753 -7.829 1.00 0.28 C ATOM 2643 CG1 VAL B 64 7.335 8.334 -6.505 1.00 0.31 C ATOM 2644 CG2 VAL B 64 5.532 7.048 -7.660 1.00 0.30 C ATOM 0 H VAL B 64 8.864 8.991 -8.769 1.00 0.26 H new ATOM 0 HA VAL B 64 6.318 8.371 -9.805 1.00 0.26 H new ATOM 0 HB VAL B 64 7.613 7.024 -8.148 1.00 0.28 H new ATOM 0 HG11 VAL B 64 7.387 7.542 -5.758 1.00 0.31 H new ATOM 0 HG12 VAL B 64 8.322 8.779 -6.631 1.00 0.31 H new ATOM 0 HG13 VAL B 64 6.632 9.098 -6.175 1.00 0.31 H new ATOM 0 HG21 VAL B 64 5.616 6.290 -6.881 1.00 0.30 H new ATOM 0 HG22 VAL B 64 4.770 7.775 -7.378 1.00 0.30 H new ATOM 0 HG23 VAL B 64 5.250 6.573 -8.600 1.00 0.30 H new ATOM 2654 N VAL B 65 6.513 11.046 -7.937 1.00 0.29 N ATOM 2655 CA VAL B 65 5.784 12.227 -7.488 1.00 0.33 C ATOM 2656 C VAL B 65 5.212 12.965 -8.694 1.00 0.37 C ATOM 2657 O VAL B 65 4.099 13.493 -8.651 1.00 0.45 O ATOM 2658 CB VAL B 65 6.689 13.176 -6.664 1.00 0.40 C ATOM 2659 CG1 VAL B 65 6.047 14.548 -6.492 1.00 0.48 C ATOM 2660 CG2 VAL B 65 6.994 12.567 -5.305 1.00 0.39 C ATOM 0 H VAL B 65 7.523 11.098 -7.802 1.00 0.29 H new ATOM 0 HA VAL B 65 4.972 11.898 -6.839 1.00 0.33 H new ATOM 0 HB VAL B 65 7.621 13.307 -7.214 1.00 0.40 H new ATOM 0 HG11 VAL B 65 6.709 15.189 -5.909 1.00 0.48 H new ATOM 0 HG12 VAL B 65 5.878 14.996 -7.471 1.00 0.48 H new ATOM 0 HG13 VAL B 65 5.095 14.442 -5.972 1.00 0.48 H new ATOM 0 HG21 VAL B 65 7.631 13.245 -4.737 1.00 0.39 H new ATOM 0 HG22 VAL B 65 6.063 12.404 -4.762 1.00 0.39 H new ATOM 0 HG23 VAL B 65 7.507 11.615 -5.440 1.00 0.39 H new ATOM 2670 N LYS B 66 5.978 12.975 -9.776 1.00 0.37 N ATOM 2671 CA LYS B 66 5.560 13.628 -11.008 1.00 0.45 C ATOM 2672 C LYS B 66 4.493 12.798 -11.719 1.00 0.41 C ATOM 2673 O LYS B 66 3.634 13.339 -12.417 1.00 0.49 O ATOM 2674 CB LYS B 66 6.760 13.834 -11.934 1.00 0.57 C ATOM 2675 CG LYS B 66 7.823 14.758 -11.360 1.00 0.74 C ATOM 2676 CD LYS B 66 9.174 14.533 -12.022 1.00 0.67 C ATOM 2677 CE LYS B 66 9.158 14.949 -13.485 1.00 1.44 C ATOM 2678 NZ LYS B 66 10.403 14.545 -14.192 1.00 2.19 N ATOM 0 H LYS B 66 6.897 12.536 -9.825 1.00 0.37 H new ATOM 0 HA LYS B 66 5.137 14.600 -10.754 1.00 0.45 H new ATOM 0 HB2 LYS B 66 7.211 12.866 -12.150 1.00 0.57 H new ATOM 0 HB3 LYS B 66 6.410 14.242 -12.882 1.00 0.57 H new ATOM 0 HG2 LYS B 66 7.518 15.795 -11.497 1.00 0.74 H new ATOM 0 HG3 LYS B 66 7.910 14.591 -10.286 1.00 0.74 H new ATOM 0 HD2 LYS B 66 9.939 15.099 -11.491 1.00 0.67 H new ATOM 0 HD3 LYS B 66 9.446 13.480 -11.946 1.00 0.67 H new ATOM 0 HE2 LYS B 66 8.297 14.500 -13.980 1.00 1.44 H new ATOM 0 HE3 LYS B 66 9.037 16.030 -13.553 1.00 1.44 H new ATOM 0 HZ1 LYS B 66 10.352 14.847 -15.186 1.00 2.19 H new ATOM 0 HZ2 LYS B 66 11.223 14.994 -13.736 1.00 2.19 H new ATOM 0 HZ3 LYS B 66 10.506 13.511 -14.150 1.00 2.19 H new ATOM 2692 N LEU B 67 4.565 11.480 -11.550 1.00 0.39 N ATOM 2693 CA LEU B 67 3.606 10.567 -12.165 1.00 0.43 C ATOM 2694 C LEU B 67 2.219 10.765 -11.566 1.00 0.62 C ATOM 2695 O LEU B 67 1.237 10.928 -12.294 1.00 1.30 O ATOM 2696 CB LEU B 67 4.052 9.116 -11.970 1.00 0.59 C ATOM 2697 CG LEU B 67 5.269 8.689 -12.789 1.00 0.54 C ATOM 2698 CD1 LEU B 67 5.714 7.295 -12.381 1.00 0.74 C ATOM 2699 CD2 LEU B 67 4.950 8.735 -14.275 1.00 0.79 C ATOM 0 H LEU B 67 5.281 11.019 -10.989 1.00 0.39 H new ATOM 0 HA LEU B 67 3.563 10.785 -13.232 1.00 0.43 H new ATOM 0 HB2 LEU B 67 4.273 8.960 -10.914 1.00 0.59 H new ATOM 0 HB3 LEU B 67 3.218 8.460 -12.221 1.00 0.59 H new ATOM 0 HG LEU B 67 6.085 9.384 -12.592 1.00 0.54 H new ATOM 0 HD11 LEU B 67 6.582 7.003 -12.972 1.00 0.74 H new ATOM 0 HD12 LEU B 67 5.978 7.292 -11.323 1.00 0.74 H new ATOM 0 HD13 LEU B 67 4.902 6.589 -12.554 1.00 0.74 H new ATOM 0 HD21 LEU B 67 5.827 8.428 -14.845 1.00 0.79 H new ATOM 0 HD22 LEU B 67 4.122 8.059 -14.491 1.00 0.79 H new ATOM 0 HD23 LEU B 67 4.672 9.751 -14.556 1.00 0.79 H new ATOM 2711 N LYS B 68 2.161 10.747 -10.235 1.00 0.48 N ATOM 2712 CA LYS B 68 0.917 10.933 -9.484 1.00 0.55 C ATOM 2713 C LYS B 68 -0.029 9.739 -9.620 1.00 0.47 C ATOM 2714 O LYS B 68 -0.566 9.469 -10.696 1.00 0.50 O ATOM 2715 CB LYS B 68 0.201 12.217 -9.913 1.00 0.69 C ATOM 2716 CG LYS B 68 0.876 13.485 -9.426 1.00 0.56 C ATOM 2717 CD LYS B 68 -0.004 14.695 -9.669 1.00 0.67 C ATOM 2718 CE LYS B 68 0.486 15.907 -8.903 1.00 0.69 C ATOM 2719 NZ LYS B 68 -0.458 17.044 -9.023 1.00 1.04 N ATOM 0 H LYS B 68 2.979 10.602 -9.643 1.00 0.48 H new ATOM 0 HA LYS B 68 1.199 11.015 -8.434 1.00 0.55 H new ATOM 0 HB2 LYS B 68 0.142 12.243 -11.001 1.00 0.69 H new ATOM 0 HB3 LYS B 68 -0.822 12.194 -9.538 1.00 0.69 H new ATOM 0 HG2 LYS B 68 1.096 13.399 -8.362 1.00 0.56 H new ATOM 0 HG3 LYS B 68 1.829 13.615 -9.939 1.00 0.56 H new ATOM 0 HD2 LYS B 68 -0.024 14.922 -10.735 1.00 0.67 H new ATOM 0 HD3 LYS B 68 -1.028 14.466 -9.372 1.00 0.67 H new ATOM 0 HE2 LYS B 68 0.613 15.648 -7.852 1.00 0.69 H new ATOM 0 HE3 LYS B 68 1.465 16.205 -9.278 1.00 0.69 H new ATOM 0 HZ1 LYS B 68 0.035 17.930 -8.794 1.00 1.04 H new ATOM 0 HZ2 LYS B 68 -0.822 17.092 -9.996 1.00 1.04 H new ATOM 0 HZ3 LYS B 68 -1.250 16.909 -8.363 1.00 1.04 H new ATOM 2733 N GLY B 69 -0.225 9.028 -8.515 1.00 0.50 N ATOM 2734 CA GLY B 69 -1.114 7.880 -8.506 1.00 0.59 C ATOM 2735 C GLY B 69 -0.610 6.736 -9.359 1.00 0.54 C ATOM 2736 O GLY B 69 -1.401 5.963 -9.904 1.00 0.57 O ATOM 0 H GLY B 69 0.219 9.228 -7.619 1.00 0.50 H new ATOM 0 HA2 GLY B 69 -1.240 7.533 -7.480 1.00 0.59 H new ATOM 0 HA3 GLY B 69 -2.098 8.186 -8.862 1.00 0.59 H new ATOM 2740 N GLN B 70 0.704 6.629 -9.478 1.00 0.50 N ATOM 2741 CA GLN B 70 1.311 5.574 -10.268 1.00 0.46 C ATOM 2742 C GLN B 70 2.330 4.819 -9.432 1.00 0.38 C ATOM 2743 O GLN B 70 2.860 5.353 -8.457 1.00 0.37 O ATOM 2744 CB GLN B 70 1.975 6.157 -11.515 1.00 0.50 C ATOM 2745 CG GLN B 70 2.210 5.133 -12.616 1.00 1.31 C ATOM 2746 CD GLN B 70 0.957 4.350 -12.953 1.00 1.89 C ATOM 2747 OE1 GLN B 70 0.705 3.281 -12.389 1.00 2.68 O ATOM 2748 NE2 GLN B 70 0.165 4.875 -13.874 1.00 2.32 N ATOM 0 H GLN B 70 1.370 7.262 -9.036 1.00 0.50 H new ATOM 0 HA GLN B 70 0.532 4.880 -10.584 1.00 0.46 H new ATOM 0 HB2 GLN B 70 1.352 6.961 -11.906 1.00 0.50 H new ATOM 0 HB3 GLN B 70 2.930 6.601 -11.234 1.00 0.50 H new ATOM 0 HG2 GLN B 70 2.569 5.641 -13.511 1.00 1.31 H new ATOM 0 HG3 GLN B 70 2.994 4.443 -12.305 1.00 1.31 H new ATOM 0 HE21 GLN B 70 0.412 5.761 -14.314 1.00 2.32 H new ATOM 0 HE22 GLN B 70 -0.693 4.394 -14.143 1.00 2.32 H new ATOM 2757 N VAL B 71 2.592 3.576 -9.807 1.00 0.36 N ATOM 2758 CA VAL B 71 3.547 2.752 -9.088 1.00 0.32 C ATOM 2759 C VAL B 71 4.851 2.607 -9.876 1.00 0.31 C ATOM 2760 O VAL B 71 4.868 2.100 -11.003 1.00 0.39 O ATOM 2761 CB VAL B 71 2.956 1.357 -8.757 1.00 0.38 C ATOM 2762 CG1 VAL B 71 2.324 0.718 -9.987 1.00 1.28 C ATOM 2763 CG2 VAL B 71 4.018 0.438 -8.166 1.00 1.35 C ATOM 0 H VAL B 71 2.155 3.117 -10.606 1.00 0.36 H new ATOM 0 HA VAL B 71 3.768 3.256 -8.147 1.00 0.32 H new ATOM 0 HB VAL B 71 2.175 1.502 -8.011 1.00 0.38 H new ATOM 0 HG11 VAL B 71 1.919 -0.259 -9.722 1.00 1.28 H new ATOM 0 HG12 VAL B 71 1.521 1.356 -10.356 1.00 1.28 H new ATOM 0 HG13 VAL B 71 3.079 0.599 -10.764 1.00 1.28 H new ATOM 0 HG21 VAL B 71 3.576 -0.533 -7.943 1.00 1.35 H new ATOM 0 HG22 VAL B 71 4.829 0.312 -8.883 1.00 1.35 H new ATOM 0 HG23 VAL B 71 4.409 0.877 -7.248 1.00 1.35 H new ATOM 2773 N LEU B 72 5.934 3.080 -9.281 1.00 0.27 N ATOM 2774 CA LEU B 72 7.249 3.006 -9.895 1.00 0.29 C ATOM 2775 C LEU B 72 8.155 2.114 -9.058 1.00 0.31 C ATOM 2776 O LEU B 72 8.526 2.466 -7.936 1.00 0.44 O ATOM 2777 CB LEU B 72 7.858 4.409 -10.032 1.00 0.35 C ATOM 2778 CG LEU B 72 9.029 4.534 -11.015 1.00 0.44 C ATOM 2779 CD1 LEU B 72 9.110 5.948 -11.561 1.00 1.37 C ATOM 2780 CD2 LEU B 72 10.344 4.161 -10.345 1.00 1.05 C ATOM 0 H LEU B 72 5.926 3.524 -8.363 1.00 0.27 H new ATOM 0 HA LEU B 72 7.151 2.578 -10.893 1.00 0.29 H new ATOM 0 HB2 LEU B 72 7.072 5.097 -10.343 1.00 0.35 H new ATOM 0 HB3 LEU B 72 8.197 4.735 -9.049 1.00 0.35 H new ATOM 0 HG LEU B 72 8.853 3.843 -11.839 1.00 0.44 H new ATOM 0 HD11 LEU B 72 9.945 6.022 -12.257 1.00 1.37 H new ATOM 0 HD12 LEU B 72 8.183 6.191 -12.080 1.00 1.37 H new ATOM 0 HD13 LEU B 72 9.260 6.648 -10.739 1.00 1.37 H new ATOM 0 HD21 LEU B 72 11.158 4.258 -11.063 1.00 1.05 H new ATOM 0 HD22 LEU B 72 10.524 4.826 -9.501 1.00 1.05 H new ATOM 0 HD23 LEU B 72 10.293 3.131 -9.991 1.00 1.05 H new ATOM 2792 N SER B 73 8.498 0.960 -9.599 1.00 0.27 N ATOM 2793 CA SER B 73 9.352 0.019 -8.901 1.00 0.33 C ATOM 2794 C SER B 73 10.817 0.261 -9.251 1.00 0.28 C ATOM 2795 O SER B 73 11.225 0.101 -10.401 1.00 0.31 O ATOM 2796 CB SER B 73 8.945 -1.412 -9.254 1.00 0.48 C ATOM 2797 OG SER B 73 7.553 -1.608 -9.056 1.00 1.38 O ATOM 0 H SER B 73 8.197 0.651 -10.523 1.00 0.27 H new ATOM 0 HA SER B 73 9.232 0.165 -7.828 1.00 0.33 H new ATOM 0 HB2 SER B 73 9.201 -1.621 -10.293 1.00 0.48 H new ATOM 0 HB3 SER B 73 9.506 -2.116 -8.639 1.00 0.48 H new ATOM 0 HG SER B 73 7.316 -2.530 -9.290 1.00 1.38 H new ATOM 2803 N VAL B 74 11.595 0.679 -8.264 1.00 0.29 N ATOM 2804 CA VAL B 74 13.015 0.932 -8.466 1.00 0.28 C ATOM 2805 C VAL B 74 13.843 -0.222 -7.902 1.00 0.23 C ATOM 2806 O VAL B 74 13.678 -0.618 -6.745 1.00 0.24 O ATOM 2807 CB VAL B 74 13.461 2.274 -7.831 1.00 0.34 C ATOM 2808 CG1 VAL B 74 13.044 2.363 -6.373 1.00 0.35 C ATOM 2809 CG2 VAL B 74 14.965 2.465 -7.967 1.00 0.41 C ATOM 0 H VAL B 74 11.267 0.851 -7.314 1.00 0.29 H new ATOM 0 HA VAL B 74 13.185 1.006 -9.540 1.00 0.28 H new ATOM 0 HB VAL B 74 12.960 3.076 -8.373 1.00 0.34 H new ATOM 0 HG11 VAL B 74 13.372 3.316 -5.958 1.00 0.35 H new ATOM 0 HG12 VAL B 74 11.959 2.290 -6.300 1.00 0.35 H new ATOM 0 HG13 VAL B 74 13.501 1.547 -5.813 1.00 0.35 H new ATOM 0 HG21 VAL B 74 15.254 3.413 -7.514 1.00 0.41 H new ATOM 0 HG22 VAL B 74 15.482 1.649 -7.462 1.00 0.41 H new ATOM 0 HG23 VAL B 74 15.237 2.469 -9.022 1.00 0.41 H new ATOM 2819 N MET B 75 14.715 -0.769 -8.732 1.00 0.21 N ATOM 2820 CA MET B 75 15.563 -1.880 -8.335 1.00 0.20 C ATOM 2821 C MET B 75 16.952 -1.383 -7.954 1.00 0.20 C ATOM 2822 O MET B 75 17.720 -0.939 -8.807 1.00 0.24 O ATOM 2823 CB MET B 75 15.664 -2.899 -9.473 1.00 0.26 C ATOM 2824 CG MET B 75 16.392 -4.177 -9.089 1.00 0.29 C ATOM 2825 SD MET B 75 16.496 -5.355 -10.453 1.00 0.41 S ATOM 2826 CE MET B 75 17.332 -6.722 -9.651 1.00 0.41 C ATOM 0 H MET B 75 14.855 -0.458 -9.693 1.00 0.21 H new ATOM 0 HA MET B 75 15.116 -2.362 -7.466 1.00 0.20 H new ATOM 0 HB2 MET B 75 14.659 -3.152 -9.812 1.00 0.26 H new ATOM 0 HB3 MET B 75 16.178 -2.438 -10.316 1.00 0.26 H new ATOM 0 HG2 MET B 75 17.398 -3.930 -8.750 1.00 0.29 H new ATOM 0 HG3 MET B 75 15.879 -4.644 -8.249 1.00 0.29 H new ATOM 0 HE1 MET B 75 17.090 -7.650 -10.168 1.00 0.41 H new ATOM 0 HE2 MET B 75 18.409 -6.559 -9.683 1.00 0.41 H new ATOM 0 HE3 MET B 75 17.006 -6.789 -8.613 1.00 0.41 H new ATOM 2836 N PHE B 76 17.260 -1.451 -6.670 1.00 0.21 N ATOM 2837 CA PHE B 76 18.552 -1.015 -6.163 1.00 0.23 C ATOM 2838 C PHE B 76 18.992 -1.945 -5.039 1.00 0.22 C ATOM 2839 O PHE B 76 18.346 -2.961 -4.790 1.00 0.21 O ATOM 2840 CB PHE B 76 18.468 0.433 -5.662 1.00 0.26 C ATOM 2841 CG PHE B 76 17.552 0.619 -4.485 1.00 0.27 C ATOM 2842 CD1 PHE B 76 16.183 0.712 -4.661 1.00 0.31 C ATOM 2843 CD2 PHE B 76 18.066 0.704 -3.203 1.00 0.31 C ATOM 2844 CE1 PHE B 76 15.343 0.884 -3.580 1.00 0.37 C ATOM 2845 CE2 PHE B 76 17.232 0.877 -2.117 1.00 0.36 C ATOM 2846 CZ PHE B 76 15.868 0.967 -2.306 1.00 0.38 C ATOM 0 H PHE B 76 16.627 -1.807 -5.953 1.00 0.21 H new ATOM 0 HA PHE B 76 19.287 -1.053 -6.967 1.00 0.23 H new ATOM 0 HB2 PHE B 76 19.468 0.771 -5.389 1.00 0.26 H new ATOM 0 HB3 PHE B 76 18.128 1.070 -6.478 1.00 0.26 H new ATOM 0 HD1 PHE B 76 15.767 0.649 -5.656 1.00 0.31 H new ATOM 0 HD2 PHE B 76 19.133 0.634 -3.050 1.00 0.31 H new ATOM 0 HE1 PHE B 76 14.276 0.954 -3.730 1.00 0.37 H new ATOM 0 HE2 PHE B 76 17.646 0.942 -1.122 1.00 0.36 H new ATOM 0 HZ PHE B 76 15.212 1.102 -1.459 1.00 0.38 H new ATOM 2856 N ARG B 77 20.078 -1.613 -4.365 1.00 0.25 N ATOM 2857 CA ARG B 77 20.559 -2.438 -3.270 1.00 0.25 C ATOM 2858 C ARG B 77 20.316 -1.750 -1.933 1.00 0.23 C ATOM 2859 O ARG B 77 20.630 -0.573 -1.758 1.00 0.26 O ATOM 2860 CB ARG B 77 22.039 -2.769 -3.454 1.00 0.30 C ATOM 2861 CG ARG B 77 22.266 -4.144 -4.057 1.00 0.48 C ATOM 2862 CD ARG B 77 23.690 -4.311 -4.556 1.00 0.63 C ATOM 2863 NE ARG B 77 23.906 -3.637 -5.838 1.00 1.50 N ATOM 2864 CZ ARG B 77 24.998 -3.791 -6.582 1.00 1.87 C ATOM 2865 NH1 ARG B 77 25.970 -4.594 -6.173 1.00 1.59 N ATOM 2866 NH2 ARG B 77 25.116 -3.150 -7.739 1.00 2.97 N ATOM 0 H ARG B 77 20.641 -0.784 -4.554 1.00 0.25 H new ATOM 0 HA ARG B 77 20.001 -3.374 -3.274 1.00 0.25 H new ATOM 0 HB2 ARG B 77 22.498 -2.016 -4.095 1.00 0.30 H new ATOM 0 HB3 ARG B 77 22.541 -2.714 -2.488 1.00 0.30 H new ATOM 0 HG2 ARG B 77 22.050 -4.909 -3.311 1.00 0.48 H new ATOM 0 HG3 ARG B 77 21.571 -4.299 -4.882 1.00 0.48 H new ATOM 0 HD2 ARG B 77 24.383 -3.911 -3.815 1.00 0.63 H new ATOM 0 HD3 ARG B 77 23.915 -5.372 -4.662 1.00 0.63 H new ATOM 0 HE ARG B 77 23.176 -3.013 -6.181 1.00 1.50 H new ATOM 0 HH11 ARG B 77 25.880 -5.094 -5.288 1.00 1.59 H new ATOM 0 HH12 ARG B 77 26.807 -4.712 -6.743 1.00 1.59 H new ATOM 0 HH21 ARG B 77 24.367 -2.536 -8.061 1.00 2.97 H new ATOM 0 HH22 ARG B 77 25.955 -3.271 -8.306 1.00 2.97 H new ATOM 2880 N PHE B 78 19.746 -2.494 -1.001 1.00 0.24 N ATOM 2881 CA PHE B 78 19.435 -1.977 0.321 1.00 0.23 C ATOM 2882 C PHE B 78 20.289 -2.684 1.369 1.00 0.21 C ATOM 2883 O PHE B 78 20.685 -3.834 1.174 1.00 0.22 O ATOM 2884 CB PHE B 78 17.948 -2.188 0.616 1.00 0.27 C ATOM 2885 CG PHE B 78 17.385 -1.255 1.650 1.00 0.27 C ATOM 2886 CD1 PHE B 78 17.092 0.060 1.327 1.00 0.34 C ATOM 2887 CD2 PHE B 78 17.143 -1.695 2.940 1.00 0.33 C ATOM 2888 CE1 PHE B 78 16.566 0.919 2.273 1.00 0.37 C ATOM 2889 CE2 PHE B 78 16.616 -0.841 3.891 1.00 0.37 C ATOM 2890 CZ PHE B 78 16.329 0.468 3.556 1.00 0.33 C ATOM 0 H PHE B 78 19.486 -3.471 -1.138 1.00 0.24 H new ATOM 0 HA PHE B 78 19.655 -0.910 0.355 1.00 0.23 H new ATOM 0 HB2 PHE B 78 17.385 -2.068 -0.310 1.00 0.27 H new ATOM 0 HB3 PHE B 78 17.798 -3.215 0.950 1.00 0.27 H new ATOM 0 HD1 PHE B 78 17.277 0.418 0.325 1.00 0.34 H new ATOM 0 HD2 PHE B 78 17.368 -2.717 3.207 1.00 0.33 H new ATOM 0 HE1 PHE B 78 16.341 1.942 2.009 1.00 0.37 H new ATOM 0 HE2 PHE B 78 16.429 -1.197 4.894 1.00 0.37 H new ATOM 0 HZ PHE B 78 15.919 1.138 4.297 1.00 0.33 H new ATOM 2900 N ARG B 79 20.579 -1.996 2.464 1.00 0.25 N ATOM 2901 CA ARG B 79 21.389 -2.564 3.534 1.00 0.26 C ATOM 2902 C ARG B 79 20.512 -3.273 4.552 1.00 0.26 C ATOM 2903 O ARG B 79 19.576 -2.685 5.091 1.00 0.36 O ATOM 2904 CB ARG B 79 22.193 -1.468 4.235 1.00 0.36 C ATOM 2905 CG ARG B 79 23.397 -1.990 5.004 1.00 0.33 C ATOM 2906 CD ARG B 79 24.088 -0.881 5.784 1.00 0.56 C ATOM 2907 NE ARG B 79 23.495 -0.684 7.109 1.00 1.04 N ATOM 2908 CZ ARG B 79 23.329 0.511 7.684 1.00 1.28 C ATOM 2909 NH1 ARG B 79 23.714 1.617 7.058 1.00 1.06 N ATOM 2910 NH2 ARG B 79 22.784 0.597 8.893 1.00 2.22 N ATOM 0 H ARG B 79 20.265 -1.041 2.636 1.00 0.25 H new ATOM 0 HA ARG B 79 22.074 -3.286 3.089 1.00 0.26 H new ATOM 0 HB2 ARG B 79 22.533 -0.747 3.492 1.00 0.36 H new ATOM 0 HB3 ARG B 79 21.538 -0.933 4.922 1.00 0.36 H new ATOM 0 HG2 ARG B 79 23.079 -2.774 5.691 1.00 0.33 H new ATOM 0 HG3 ARG B 79 24.105 -2.442 4.309 1.00 0.33 H new ATOM 0 HD2 ARG B 79 25.146 -1.121 5.893 1.00 0.56 H new ATOM 0 HD3 ARG B 79 24.029 0.049 5.219 1.00 0.56 H new ATOM 0 HE ARG B 79 23.190 -1.510 7.624 1.00 1.04 H new ATOM 0 HH11 ARG B 79 24.139 1.558 6.133 1.00 1.06 H new ATOM 0 HH12 ARG B 79 23.584 2.526 7.502 1.00 1.06 H new ATOM 0 HH21 ARG B 79 22.492 -0.249 9.382 1.00 2.22 H new ATOM 0 HH22 ARG B 79 22.657 1.509 9.332 1.00 2.22 H new ATOM 2924 N SER B 80 20.815 -4.535 4.807 1.00 0.25 N ATOM 2925 CA SER B 80 20.067 -5.317 5.775 1.00 0.33 C ATOM 2926 C SER B 80 20.602 -5.060 7.179 1.00 0.32 C ATOM 2927 O SER B 80 21.539 -4.277 7.361 1.00 0.32 O ATOM 2928 CB SER B 80 20.177 -6.808 5.449 1.00 0.46 C ATOM 2929 OG SER B 80 21.517 -7.263 5.597 1.00 1.06 O ATOM 0 H SER B 80 21.577 -5.041 4.355 1.00 0.25 H new ATOM 0 HA SER B 80 19.020 -5.019 5.729 1.00 0.33 H new ATOM 0 HB2 SER B 80 19.521 -7.378 6.107 1.00 0.46 H new ATOM 0 HB3 SER B 80 19.839 -6.987 4.428 1.00 0.46 H new ATOM 0 HG SER B 80 21.558 -8.225 5.416 1.00 1.06 H new ATOM 2935 N LYS B 81 20.013 -5.722 8.169 1.00 0.35 N ATOM 2936 CA LYS B 81 20.450 -5.580 9.551 1.00 0.37 C ATOM 2937 C LYS B 81 21.847 -6.183 9.715 1.00 0.40 C ATOM 2938 O LYS B 81 22.542 -5.923 10.694 1.00 0.48 O ATOM 2939 CB LYS B 81 19.449 -6.259 10.495 1.00 0.41 C ATOM 2940 CG LYS B 81 19.717 -6.017 11.975 1.00 0.45 C ATOM 2941 CD LYS B 81 19.493 -4.563 12.370 1.00 0.47 C ATOM 2942 CE LYS B 81 19.705 -4.365 13.863 1.00 0.67 C ATOM 2943 NZ LYS B 81 19.591 -2.940 14.270 1.00 1.69 N ATOM 0 H LYS B 81 19.230 -6.363 8.039 1.00 0.35 H new ATOM 0 HA LYS B 81 20.495 -4.522 9.808 1.00 0.37 H new ATOM 0 HB2 LYS B 81 18.446 -5.905 10.257 1.00 0.41 H new ATOM 0 HB3 LYS B 81 19.461 -7.333 10.307 1.00 0.41 H new ATOM 0 HG2 LYS B 81 19.066 -6.658 12.570 1.00 0.45 H new ATOM 0 HG3 LYS B 81 20.743 -6.301 12.208 1.00 0.45 H new ATOM 0 HD2 LYS B 81 20.177 -3.922 11.814 1.00 0.47 H new ATOM 0 HD3 LYS B 81 18.481 -4.261 12.099 1.00 0.47 H new ATOM 0 HE2 LYS B 81 18.972 -4.956 14.412 1.00 0.67 H new ATOM 0 HE3 LYS B 81 20.690 -4.741 14.140 1.00 0.67 H new ATOM 0 HZ1 LYS B 81 19.438 -2.884 15.297 1.00 1.69 H new ATOM 0 HZ2 LYS B 81 20.467 -2.437 14.022 1.00 1.69 H new ATOM 0 HZ3 LYS B 81 18.788 -2.501 13.776 1.00 1.69 H new ATOM 2957 N ASN B 82 22.255 -6.974 8.726 1.00 0.39 N ATOM 2958 CA ASN B 82 23.568 -7.611 8.733 1.00 0.45 C ATOM 2959 C ASN B 82 24.577 -6.730 8.006 1.00 0.43 C ATOM 2960 O ASN B 82 25.734 -7.111 7.819 1.00 0.50 O ATOM 2961 CB ASN B 82 23.504 -8.989 8.067 1.00 0.53 C ATOM 2962 CG ASN B 82 22.614 -9.959 8.818 1.00 0.95 C ATOM 2963 OD1 ASN B 82 22.550 -9.943 10.051 1.00 1.75 O ATOM 2964 ND2 ASN B 82 21.913 -10.804 8.079 1.00 0.81 N ATOM 0 H ASN B 82 21.690 -7.190 7.904 1.00 0.39 H new ATOM 0 HA ASN B 82 23.884 -7.741 9.768 1.00 0.45 H new ATOM 0 HB2 ASN B 82 23.135 -8.879 7.047 1.00 0.53 H new ATOM 0 HB3 ASN B 82 24.510 -9.403 7.999 1.00 0.53 H new ATOM 0 HD21 ASN B 82 21.290 -11.476 8.526 1.00 0.81 H new ATOM 0 HD22 ASN B 82 21.996 -10.783 7.063 1.00 0.81 H new ATOM 2971 N GLN B 83 24.109 -5.552 7.591 1.00 0.37 N ATOM 2972 CA GLN B 83 24.927 -4.567 6.886 1.00 0.40 C ATOM 2973 C GLN B 83 25.362 -5.066 5.512 1.00 0.37 C ATOM 2974 O GLN B 83 26.399 -4.655 4.993 1.00 0.46 O ATOM 2975 CB GLN B 83 26.148 -4.170 7.723 1.00 0.53 C ATOM 2976 CG GLN B 83 25.891 -3.000 8.662 1.00 0.63 C ATOM 2977 CD GLN B 83 24.687 -3.220 9.557 1.00 0.90 C ATOM 2978 OE1 GLN B 83 23.569 -2.823 9.223 1.00 1.62 O ATOM 2979 NE2 GLN B 83 24.903 -3.860 10.695 1.00 0.87 N ATOM 0 H GLN B 83 23.145 -5.253 7.736 1.00 0.37 H new ATOM 0 HA GLN B 83 24.306 -3.684 6.734 1.00 0.40 H new ATOM 0 HB2 GLN B 83 26.471 -5.030 8.309 1.00 0.53 H new ATOM 0 HB3 GLN B 83 26.969 -3.914 7.053 1.00 0.53 H new ATOM 0 HG2 GLN B 83 26.773 -2.836 9.281 1.00 0.63 H new ATOM 0 HG3 GLN B 83 25.741 -2.094 8.074 1.00 0.63 H new ATOM 0 HE21 GLN B 83 25.844 -4.172 10.934 1.00 0.87 H new ATOM 0 HE22 GLN B 83 24.128 -4.041 11.333 1.00 0.87 H new ATOM 2988 N GLU B 84 24.563 -5.940 4.919 1.00 0.37 N ATOM 2989 CA GLU B 84 24.868 -6.465 3.596 1.00 0.38 C ATOM 2990 C GLU B 84 23.996 -5.765 2.561 1.00 0.31 C ATOM 2991 O GLU B 84 22.919 -5.265 2.892 1.00 0.42 O ATOM 2992 CB GLU B 84 24.648 -7.982 3.548 1.00 0.53 C ATOM 2993 CG GLU B 84 23.203 -8.387 3.308 1.00 1.22 C ATOM 2994 CD GLU B 84 22.896 -9.783 3.794 1.00 2.08 C ATOM 2995 OE1 GLU B 84 23.166 -10.749 3.051 1.00 2.45 O ATOM 2996 OE2 GLU B 84 22.379 -9.922 4.923 1.00 2.78 O ATOM 0 H GLU B 84 23.702 -6.300 5.331 1.00 0.37 H new ATOM 0 HA GLU B 84 25.917 -6.273 3.371 1.00 0.38 H new ATOM 0 HB2 GLU B 84 25.269 -8.405 2.759 1.00 0.53 H new ATOM 0 HB3 GLU B 84 24.986 -8.418 4.488 1.00 0.53 H new ATOM 0 HG2 GLU B 84 22.544 -7.679 3.811 1.00 1.22 H new ATOM 0 HG3 GLU B 84 22.985 -8.323 2.242 1.00 1.22 H new ATOM 3003 N TRP B 85 24.462 -5.716 1.323 1.00 0.32 N ATOM 3004 CA TRP B 85 23.710 -5.074 0.259 1.00 0.33 C ATOM 3005 C TRP B 85 22.934 -6.106 -0.542 1.00 0.33 C ATOM 3006 O TRP B 85 23.522 -6.926 -1.251 1.00 0.45 O ATOM 3007 CB TRP B 85 24.643 -4.292 -0.667 1.00 0.41 C ATOM 3008 CG TRP B 85 25.459 -3.256 0.041 1.00 0.42 C ATOM 3009 CD1 TRP B 85 26.808 -3.273 0.240 1.00 0.66 C ATOM 3010 CD2 TRP B 85 24.980 -2.048 0.644 1.00 0.50 C ATOM 3011 NE1 TRP B 85 27.198 -2.150 0.925 1.00 0.63 N ATOM 3012 CE2 TRP B 85 26.095 -1.385 1.189 1.00 0.50 C ATOM 3013 CE3 TRP B 85 23.719 -1.464 0.777 1.00 0.84 C ATOM 3014 CZ2 TRP B 85 25.985 -0.167 1.853 1.00 0.67 C ATOM 3015 CZ3 TRP B 85 23.611 -0.256 1.436 1.00 1.10 C ATOM 3016 CH2 TRP B 85 24.739 0.381 1.968 1.00 0.97 C ATOM 0 H TRP B 85 25.355 -6.112 1.032 1.00 0.32 H new ATOM 0 HA TRP B 85 23.006 -4.378 0.715 1.00 0.33 H new ATOM 0 HB2 TRP B 85 25.313 -4.990 -1.168 1.00 0.41 H new ATOM 0 HB3 TRP B 85 24.050 -3.808 -1.442 1.00 0.41 H new ATOM 0 HD1 TRP B 85 27.473 -4.056 -0.093 1.00 0.66 H new ATOM 0 HE1 TRP B 85 28.155 -1.922 1.194 1.00 0.63 H new ATOM 0 HE3 TRP B 85 22.843 -1.949 0.371 1.00 0.84 H new ATOM 0 HZ2 TRP B 85 26.853 0.327 2.263 1.00 0.67 H new ATOM 0 HZ3 TRP B 85 22.641 0.206 1.543 1.00 1.10 H new ATOM 0 HH2 TRP B 85 24.621 1.325 2.480 1.00 0.97 H new ATOM 3027 N LEU B 86 21.619 -6.072 -0.418 1.00 0.28 N ATOM 3028 CA LEU B 86 20.760 -6.998 -1.139 1.00 0.29 C ATOM 3029 C LEU B 86 19.892 -6.234 -2.127 1.00 0.26 C ATOM 3030 O LEU B 86 19.576 -5.064 -1.904 1.00 0.28 O ATOM 3031 CB LEU B 86 19.894 -7.803 -0.163 1.00 0.34 C ATOM 3032 CG LEU B 86 19.175 -6.986 0.917 1.00 0.42 C ATOM 3033 CD1 LEU B 86 17.757 -6.644 0.484 1.00 0.96 C ATOM 3034 CD2 LEU B 86 19.158 -7.750 2.231 1.00 1.03 C ATOM 0 H LEU B 86 21.120 -5.411 0.177 1.00 0.28 H new ATOM 0 HA LEU B 86 21.384 -7.701 -1.692 1.00 0.29 H new ATOM 0 HB2 LEU B 86 19.146 -8.351 -0.736 1.00 0.34 H new ATOM 0 HB3 LEU B 86 20.525 -8.544 0.328 1.00 0.34 H new ATOM 0 HG LEU B 86 19.721 -6.053 1.060 1.00 0.42 H new ATOM 0 HD11 LEU B 86 17.267 -6.064 1.267 1.00 0.96 H new ATOM 0 HD12 LEU B 86 17.788 -6.059 -0.435 1.00 0.96 H new ATOM 0 HD13 LEU B 86 17.198 -7.563 0.310 1.00 0.96 H new ATOM 0 HD21 LEU B 86 18.645 -7.159 2.989 1.00 1.03 H new ATOM 0 HD22 LEU B 86 18.636 -8.697 2.094 1.00 1.03 H new ATOM 0 HD23 LEU B 86 20.181 -7.943 2.553 1.00 1.03 H new ATOM 3046 N TRP B 87 19.508 -6.888 -3.211 1.00 0.28 N ATOM 3047 CA TRP B 87 18.685 -6.250 -4.227 1.00 0.29 C ATOM 3048 C TRP B 87 17.261 -6.071 -3.728 1.00 0.29 C ATOM 3049 O TRP B 87 16.567 -7.042 -3.420 1.00 0.39 O ATOM 3050 CB TRP B 87 18.699 -7.059 -5.522 1.00 0.33 C ATOM 3051 CG TRP B 87 20.014 -6.989 -6.236 1.00 0.38 C ATOM 3052 CD1 TRP B 87 21.066 -7.846 -6.104 1.00 0.47 C ATOM 3053 CD2 TRP B 87 20.416 -6.002 -7.191 1.00 0.40 C ATOM 3054 NE1 TRP B 87 22.099 -7.453 -6.919 1.00 0.53 N ATOM 3055 CE2 TRP B 87 21.725 -6.325 -7.599 1.00 0.48 C ATOM 3056 CE3 TRP B 87 19.797 -4.875 -7.743 1.00 0.43 C ATOM 3057 CZ2 TRP B 87 22.421 -5.564 -8.532 1.00 0.53 C ATOM 3058 CZ3 TRP B 87 20.492 -4.121 -8.670 1.00 0.50 C ATOM 3059 CH2 TRP B 87 21.791 -4.469 -9.056 1.00 0.53 C ATOM 0 H TRP B 87 19.752 -7.858 -3.410 1.00 0.28 H new ATOM 0 HA TRP B 87 19.104 -5.265 -4.434 1.00 0.29 H new ATOM 0 HB2 TRP B 87 18.468 -8.100 -5.297 1.00 0.33 H new ATOM 0 HB3 TRP B 87 17.912 -6.693 -6.182 1.00 0.33 H new ATOM 0 HD1 TRP B 87 21.084 -8.708 -5.454 1.00 0.47 H new ATOM 0 HE1 TRP B 87 22.999 -7.925 -7.004 1.00 0.53 H new ATOM 0 HE3 TRP B 87 18.795 -4.599 -7.450 1.00 0.43 H new ATOM 0 HZ2 TRP B 87 23.424 -5.829 -8.832 1.00 0.53 H new ATOM 0 HZ3 TRP B 87 20.025 -3.249 -9.103 1.00 0.50 H new ATOM 0 HH2 TRP B 87 22.307 -3.860 -9.783 1.00 0.53 H new ATOM 3070 N MET B 88 16.837 -4.825 -3.651 1.00 0.31 N ATOM 3071 CA MET B 88 15.510 -4.485 -3.181 1.00 0.39 C ATOM 3072 C MET B 88 14.770 -3.654 -4.220 1.00 0.37 C ATOM 3073 O MET B 88 15.230 -2.581 -4.614 1.00 0.40 O ATOM 3074 CB MET B 88 15.610 -3.708 -1.865 1.00 0.52 C ATOM 3075 CG MET B 88 14.275 -3.191 -1.355 1.00 0.73 C ATOM 3076 SD MET B 88 13.218 -4.504 -0.720 1.00 1.53 S ATOM 3077 CE MET B 88 14.136 -5.003 0.735 1.00 0.91 C ATOM 0 H MET B 88 17.404 -4.019 -3.913 1.00 0.31 H new ATOM 0 HA MET B 88 14.952 -5.407 -3.015 1.00 0.39 H new ATOM 0 HB2 MET B 88 16.053 -4.353 -1.106 1.00 0.52 H new ATOM 0 HB3 MET B 88 16.287 -2.865 -2.002 1.00 0.52 H new ATOM 0 HG2 MET B 88 14.451 -2.459 -0.567 1.00 0.73 H new ATOM 0 HG3 MET B 88 13.758 -2.673 -2.163 1.00 0.73 H new ATOM 0 HE1 MET B 88 14.458 -6.038 0.625 1.00 0.91 H new ATOM 0 HE2 MET B 88 15.009 -4.362 0.852 1.00 0.91 H new ATOM 0 HE3 MET B 88 13.500 -4.913 1.615 1.00 0.91 H new ATOM 3087 N ARG B 89 13.637 -4.164 -4.671 1.00 0.36 N ATOM 3088 CA ARG B 89 12.817 -3.463 -5.641 1.00 0.37 C ATOM 3089 C ARG B 89 11.720 -2.710 -4.906 1.00 0.36 C ATOM 3090 O ARG B 89 10.713 -3.292 -4.496 1.00 0.42 O ATOM 3091 CB ARG B 89 12.210 -4.443 -6.646 1.00 0.44 C ATOM 3092 CG ARG B 89 11.419 -3.766 -7.752 1.00 0.58 C ATOM 3093 CD ARG B 89 10.617 -4.770 -8.563 1.00 0.97 C ATOM 3094 NE ARG B 89 9.628 -5.471 -7.745 1.00 2.01 N ATOM 3095 CZ ARG B 89 8.510 -6.019 -8.226 1.00 2.63 C ATOM 3096 NH1 ARG B 89 8.188 -5.887 -9.508 1.00 2.41 N ATOM 3097 NH2 ARG B 89 7.699 -6.682 -7.412 1.00 3.80 N ATOM 0 H ARG B 89 13.263 -5.067 -4.378 1.00 0.36 H new ATOM 0 HA ARG B 89 13.437 -2.759 -6.196 1.00 0.37 H new ATOM 0 HB2 ARG B 89 13.009 -5.035 -7.092 1.00 0.44 H new ATOM 0 HB3 ARG B 89 11.557 -5.137 -6.116 1.00 0.44 H new ATOM 0 HG2 ARG B 89 10.745 -3.027 -7.318 1.00 0.58 H new ATOM 0 HG3 ARG B 89 12.101 -3.228 -8.410 1.00 0.58 H new ATOM 0 HD2 ARG B 89 10.112 -4.255 -9.380 1.00 0.97 H new ATOM 0 HD3 ARG B 89 11.294 -5.495 -9.014 1.00 0.97 H new ATOM 0 HE ARG B 89 9.804 -5.546 -6.743 1.00 2.01 H new ATOM 0 HH11 ARG B 89 8.798 -5.363 -10.136 1.00 2.41 H new ATOM 0 HH12 ARG B 89 7.331 -6.310 -9.865 1.00 2.41 H new ATOM 0 HH21 ARG B 89 7.931 -6.771 -6.423 1.00 3.80 H new ATOM 0 HH22 ARG B 89 6.844 -7.102 -7.775 1.00 3.80 H new ATOM 3111 N THR B 90 11.925 -1.423 -4.723 1.00 0.33 N ATOM 3112 CA THR B 90 10.968 -0.596 -4.014 1.00 0.34 C ATOM 3113 C THR B 90 9.939 0.003 -4.963 1.00 0.31 C ATOM 3114 O THR B 90 10.255 0.874 -5.773 1.00 0.34 O ATOM 3115 CB THR B 90 11.684 0.530 -3.251 1.00 0.38 C ATOM 3116 OG1 THR B 90 12.659 -0.039 -2.369 1.00 0.43 O ATOM 3117 CG2 THR B 90 10.698 1.369 -2.449 1.00 0.43 C ATOM 0 H THR B 90 12.749 -0.924 -5.057 1.00 0.33 H new ATOM 0 HA THR B 90 10.448 -1.238 -3.303 1.00 0.34 H new ATOM 0 HB THR B 90 12.171 1.181 -3.977 1.00 0.38 H new ATOM 0 HG1 THR B 90 12.262 -0.168 -1.482 1.00 0.43 H new ATOM 0 HG21 THR B 90 11.236 2.157 -1.921 1.00 0.43 H new ATOM 0 HG22 THR B 90 9.969 1.817 -3.124 1.00 0.43 H new ATOM 0 HG23 THR B 90 10.183 0.735 -1.727 1.00 0.43 H new ATOM 3125 N SER B 91 8.714 -0.488 -4.875 1.00 0.28 N ATOM 3126 CA SER B 91 7.634 0.011 -5.707 1.00 0.27 C ATOM 3127 C SER B 91 6.984 1.213 -5.033 1.00 0.23 C ATOM 3128 O SER B 91 6.200 1.064 -4.100 1.00 0.28 O ATOM 3129 CB SER B 91 6.605 -1.096 -5.950 1.00 0.36 C ATOM 3130 OG SER B 91 7.250 -2.307 -6.324 1.00 0.97 O ATOM 0 H SER B 91 8.443 -1.234 -4.234 1.00 0.28 H new ATOM 0 HA SER B 91 8.034 0.324 -6.672 1.00 0.27 H new ATOM 0 HB2 SER B 91 6.015 -1.256 -5.047 1.00 0.36 H new ATOM 0 HB3 SER B 91 5.912 -0.790 -6.734 1.00 0.36 H new ATOM 0 HG SER B 91 7.457 -2.285 -7.282 1.00 0.97 H new ATOM 3136 N SER B 92 7.334 2.402 -5.489 1.00 0.23 N ATOM 3137 CA SER B 92 6.796 3.622 -4.912 1.00 0.28 C ATOM 3138 C SER B 92 5.463 3.995 -5.552 1.00 0.26 C ATOM 3139 O SER B 92 5.317 3.953 -6.772 1.00 0.36 O ATOM 3140 CB SER B 92 7.802 4.760 -5.073 1.00 0.36 C ATOM 3141 OG SER B 92 9.073 4.385 -4.562 1.00 1.27 O ATOM 0 H SER B 92 7.988 2.550 -6.257 1.00 0.23 H new ATOM 0 HA SER B 92 6.618 3.449 -3.851 1.00 0.28 H new ATOM 0 HB2 SER B 92 7.892 5.025 -6.126 1.00 0.36 H new ATOM 0 HB3 SER B 92 7.442 5.646 -4.551 1.00 0.36 H new ATOM 0 HG SER B 92 9.657 5.171 -4.528 1.00 1.27 H new ATOM 3147 N PHE B 93 4.495 4.341 -4.717 1.00 0.25 N ATOM 3148 CA PHE B 93 3.170 4.734 -5.176 1.00 0.27 C ATOM 3149 C PHE B 93 2.793 6.071 -4.546 1.00 0.25 C ATOM 3150 O PHE B 93 2.776 6.204 -3.322 1.00 0.25 O ATOM 3151 CB PHE B 93 2.141 3.659 -4.806 1.00 0.33 C ATOM 3152 CG PHE B 93 0.834 3.782 -5.539 1.00 0.37 C ATOM 3153 CD1 PHE B 93 -0.196 4.554 -5.027 1.00 0.35 C ATOM 3154 CD2 PHE B 93 0.636 3.117 -6.738 1.00 0.47 C ATOM 3155 CE1 PHE B 93 -1.399 4.663 -5.699 1.00 0.41 C ATOM 3156 CE2 PHE B 93 -0.564 3.223 -7.413 1.00 0.54 C ATOM 3157 CZ PHE B 93 -1.583 3.997 -6.893 1.00 0.50 C ATOM 0 H PHE B 93 4.605 4.358 -3.703 1.00 0.25 H new ATOM 0 HA PHE B 93 3.179 4.840 -6.261 1.00 0.27 H new ATOM 0 HB2 PHE B 93 2.568 2.677 -5.009 1.00 0.33 H new ATOM 0 HB3 PHE B 93 1.950 3.708 -3.734 1.00 0.33 H new ATOM 0 HD1 PHE B 93 -0.057 5.077 -4.092 1.00 0.35 H new ATOM 0 HD2 PHE B 93 1.428 2.509 -7.149 1.00 0.47 H new ATOM 0 HE1 PHE B 93 -2.194 5.269 -5.290 1.00 0.41 H new ATOM 0 HE2 PHE B 93 -0.706 2.701 -8.348 1.00 0.54 H new ATOM 0 HZ PHE B 93 -2.522 4.081 -7.420 1.00 0.50 H new ATOM 3167 N THR B 94 2.511 7.062 -5.378 1.00 0.30 N ATOM 3168 CA THR B 94 2.153 8.384 -4.890 1.00 0.31 C ATOM 3169 C THR B 94 0.767 8.397 -4.244 1.00 0.33 C ATOM 3170 O THR B 94 -0.222 7.995 -4.857 1.00 0.37 O ATOM 3171 CB THR B 94 2.196 9.413 -6.029 1.00 0.38 C ATOM 3172 OG1 THR B 94 2.571 8.764 -7.256 1.00 0.59 O ATOM 3173 CG2 THR B 94 3.184 10.525 -5.706 1.00 0.37 C ATOM 0 H THR B 94 2.523 6.975 -6.394 1.00 0.30 H new ATOM 0 HA THR B 94 2.887 8.652 -4.130 1.00 0.31 H new ATOM 0 HB THR B 94 1.205 9.852 -6.142 1.00 0.38 H new ATOM 0 HG1 THR B 94 3.280 9.279 -7.695 1.00 0.59 H new ATOM 0 HG21 THR B 94 3.201 11.245 -6.524 1.00 0.37 H new ATOM 0 HG22 THR B 94 2.880 11.027 -4.787 1.00 0.37 H new ATOM 0 HG23 THR B 94 4.179 10.101 -5.575 1.00 0.37 H new ATOM 3181 N PHE B 95 0.708 8.858 -3.000 1.00 0.35 N ATOM 3182 CA PHE B 95 -0.546 8.929 -2.267 1.00 0.41 C ATOM 3183 C PHE B 95 -1.039 10.371 -2.205 1.00 0.45 C ATOM 3184 O PHE B 95 -0.492 11.201 -1.470 1.00 0.49 O ATOM 3185 CB PHE B 95 -0.357 8.367 -0.854 1.00 0.48 C ATOM 3186 CG PHE B 95 -1.591 8.414 0.002 1.00 0.56 C ATOM 3187 CD1 PHE B 95 -2.548 7.417 -0.079 1.00 0.95 C ATOM 3188 CD2 PHE B 95 -1.786 9.452 0.898 1.00 0.91 C ATOM 3189 CE1 PHE B 95 -3.679 7.458 0.713 1.00 1.03 C ATOM 3190 CE2 PHE B 95 -2.913 9.498 1.693 1.00 0.98 C ATOM 3191 CZ PHE B 95 -3.860 8.499 1.602 1.00 0.78 C ATOM 0 H PHE B 95 1.519 9.189 -2.478 1.00 0.35 H new ATOM 0 HA PHE B 95 -1.295 8.330 -2.785 1.00 0.41 H new ATOM 0 HB2 PHE B 95 -0.021 7.333 -0.929 1.00 0.48 H new ATOM 0 HB3 PHE B 95 0.437 8.925 -0.357 1.00 0.48 H new ATOM 0 HD1 PHE B 95 -2.409 6.598 -0.769 1.00 0.95 H new ATOM 0 HD2 PHE B 95 -1.047 10.235 0.975 1.00 0.91 H new ATOM 0 HE1 PHE B 95 -4.421 6.677 0.637 1.00 1.03 H new ATOM 0 HE2 PHE B 95 -3.053 10.315 2.385 1.00 0.98 H new ATOM 0 HZ PHE B 95 -4.742 8.531 2.225 1.00 0.78 H new ATOM 3201 N GLN B 96 -2.065 10.670 -2.988 1.00 0.51 N ATOM 3202 CA GLN B 96 -2.631 12.010 -3.027 1.00 0.56 C ATOM 3203 C GLN B 96 -4.121 11.971 -2.728 1.00 0.63 C ATOM 3204 O GLN B 96 -4.821 11.051 -3.152 1.00 0.71 O ATOM 3205 CB GLN B 96 -2.396 12.644 -4.398 1.00 0.60 C ATOM 3206 CG GLN B 96 -0.937 12.651 -4.811 1.00 0.74 C ATOM 3207 CD GLN B 96 -0.747 12.352 -6.281 1.00 0.88 C ATOM 3208 OE1 GLN B 96 0.201 11.672 -6.664 1.00 1.41 O ATOM 3209 NE2 GLN B 96 -1.626 12.880 -7.119 1.00 0.91 N ATOM 0 H GLN B 96 -2.523 10.001 -3.606 1.00 0.51 H new ATOM 0 HA GLN B 96 -2.136 12.612 -2.265 1.00 0.56 H new ATOM 0 HB2 GLN B 96 -2.976 12.103 -5.146 1.00 0.60 H new ATOM 0 HB3 GLN B 96 -2.768 13.668 -4.386 1.00 0.60 H new ATOM 0 HG2 GLN B 96 -0.503 13.625 -4.583 1.00 0.74 H new ATOM 0 HG3 GLN B 96 -0.393 11.914 -4.221 1.00 0.74 H new ATOM 0 HE21 GLN B 96 -2.400 13.439 -6.761 1.00 0.91 H new ATOM 0 HE22 GLN B 96 -1.529 12.727 -8.123 1.00 0.91 H new ATOM 3218 N ASN B 97 -4.599 12.968 -2.000 1.00 0.73 N ATOM 3219 CA ASN B 97 -6.010 13.050 -1.651 1.00 0.91 C ATOM 3220 C ASN B 97 -6.828 13.465 -2.871 1.00 0.97 C ATOM 3221 O ASN B 97 -6.363 14.253 -3.693 1.00 0.97 O ATOM 3222 CB ASN B 97 -6.222 14.054 -0.516 1.00 1.06 C ATOM 3223 CG ASN B 97 -5.545 13.634 0.774 1.00 1.43 C ATOM 3224 OD1 ASN B 97 -5.413 12.447 1.064 1.00 1.94 O ATOM 3225 ND2 ASN B 97 -5.115 14.608 1.559 1.00 1.65 N ATOM 0 H ASN B 97 -4.030 13.733 -1.638 1.00 0.73 H new ATOM 0 HA ASN B 97 -6.342 12.067 -1.316 1.00 0.91 H new ATOM 0 HB2 ASN B 97 -5.839 15.027 -0.822 1.00 1.06 H new ATOM 0 HB3 ASN B 97 -7.291 14.174 -0.338 1.00 1.06 H new ATOM 0 HD21 ASN B 97 -4.654 14.386 2.442 1.00 1.65 H new ATOM 0 HD22 ASN B 97 -5.244 15.581 1.282 1.00 1.65 H new ATOM 3232 N PRO B 98 -8.057 12.945 -3.006 1.00 1.12 N ATOM 3233 CA PRO B 98 -8.934 13.260 -4.139 1.00 1.28 C ATOM 3234 C PRO B 98 -9.628 14.613 -3.989 1.00 1.35 C ATOM 3235 O PRO B 98 -10.441 15.003 -4.830 1.00 1.41 O ATOM 3236 CB PRO B 98 -9.962 12.131 -4.092 1.00 1.50 C ATOM 3237 CG PRO B 98 -10.068 11.791 -2.646 1.00 1.51 C ATOM 3238 CD PRO B 98 -8.693 11.997 -2.069 1.00 1.26 C ATOM 0 HA PRO B 98 -8.383 13.331 -5.077 1.00 1.28 H new ATOM 0 HB2 PRO B 98 -10.922 12.450 -4.497 1.00 1.50 H new ATOM 0 HB3 PRO B 98 -9.637 11.272 -4.680 1.00 1.50 H new ATOM 0 HG2 PRO B 98 -10.799 12.428 -2.148 1.00 1.51 H new ATOM 0 HG3 PRO B 98 -10.398 10.761 -2.511 1.00 1.51 H new ATOM 0 HD2 PRO B 98 -8.740 12.404 -1.059 1.00 1.26 H new ATOM 0 HD3 PRO B 98 -8.139 11.060 -2.010 1.00 1.26 H new ATOM 3246 N TYR B 99 -9.303 15.321 -2.919 1.00 1.39 N ATOM 3247 CA TYR B 99 -9.902 16.619 -2.647 1.00 1.52 C ATOM 3248 C TYR B 99 -9.237 17.715 -3.472 1.00 1.54 C ATOM 3249 O TYR B 99 -9.833 18.246 -4.408 1.00 1.80 O ATOM 3250 CB TYR B 99 -9.801 16.936 -1.155 1.00 1.68 C ATOM 3251 CG TYR B 99 -10.473 15.906 -0.275 1.00 1.87 C ATOM 3252 CD1 TYR B 99 -11.814 16.025 0.062 1.00 2.26 C ATOM 3253 CD2 TYR B 99 -9.764 14.821 0.226 1.00 1.83 C ATOM 3254 CE1 TYR B 99 -12.433 15.088 0.866 1.00 2.61 C ATOM 3255 CE2 TYR B 99 -10.376 13.880 1.031 1.00 2.10 C ATOM 3256 CZ TYR B 99 -11.708 14.020 1.350 1.00 2.50 C ATOM 3257 OH TYR B 99 -12.319 13.087 2.156 1.00 2.90 O ATOM 0 H TYR B 99 -8.624 15.017 -2.221 1.00 1.39 H new ATOM 0 HA TYR B 99 -10.953 16.580 -2.932 1.00 1.52 H new ATOM 0 HB2 TYR B 99 -8.750 17.010 -0.877 1.00 1.68 H new ATOM 0 HB3 TYR B 99 -10.250 17.912 -0.967 1.00 1.68 H new ATOM 0 HD1 TYR B 99 -12.383 16.864 -0.311 1.00 2.26 H new ATOM 0 HD2 TYR B 99 -8.718 14.712 -0.018 1.00 1.83 H new ATOM 0 HE1 TYR B 99 -13.479 15.191 1.114 1.00 2.61 H new ATOM 0 HE2 TYR B 99 -9.813 13.039 1.408 1.00 2.10 H new ATOM 0 HH TYR B 99 -11.765 12.926 2.948 1.00 2.90 H new ATOM 3267 N SER B 100 -8.001 18.044 -3.133 1.00 1.37 N ATOM 3268 CA SER B 100 -7.266 19.075 -3.849 1.00 1.42 C ATOM 3269 C SER B 100 -5.996 18.495 -4.463 1.00 1.24 C ATOM 3270 O SER B 100 -5.093 19.236 -4.863 1.00 1.29 O ATOM 3271 CB SER B 100 -6.922 20.228 -2.903 1.00 1.52 C ATOM 3272 OG SER B 100 -8.090 20.745 -2.278 1.00 2.27 O ATOM 0 H SER B 100 -7.485 17.612 -2.366 1.00 1.37 H new ATOM 0 HA SER B 100 -7.894 19.457 -4.654 1.00 1.42 H new ATOM 0 HB2 SER B 100 -6.222 19.882 -2.142 1.00 1.52 H new ATOM 0 HB3 SER B 100 -6.422 21.021 -3.459 1.00 1.52 H new ATOM 0 HG SER B 100 -7.842 21.479 -1.678 1.00 2.27 H new ATOM 3278 N ASP B 101 -5.942 17.164 -4.531 1.00 1.08 N ATOM 3279 CA ASP B 101 -4.795 16.453 -5.093 1.00 0.96 C ATOM 3280 C ASP B 101 -3.530 16.777 -4.305 1.00 0.87 C ATOM 3281 O ASP B 101 -2.470 17.048 -4.870 1.00 0.91 O ATOM 3282 CB ASP B 101 -4.622 16.801 -6.574 1.00 1.15 C ATOM 3283 CG ASP B 101 -3.636 15.894 -7.278 1.00 1.33 C ATOM 3284 OD1 ASP B 101 -3.698 14.664 -7.063 1.00 1.27 O ATOM 3285 OD2 ASP B 101 -2.810 16.409 -8.057 1.00 2.06 O ATOM 0 H ASP B 101 -6.688 16.552 -4.200 1.00 1.08 H new ATOM 0 HA ASP B 101 -4.978 15.381 -5.016 1.00 0.96 H new ATOM 0 HB2 ASP B 101 -5.589 16.736 -7.073 1.00 1.15 H new ATOM 0 HB3 ASP B 101 -4.286 17.834 -6.663 1.00 1.15 H new ATOM 3290 N GLU B 102 -3.659 16.768 -2.988 1.00 0.88 N ATOM 3291 CA GLU B 102 -2.537 17.058 -2.111 1.00 0.85 C ATOM 3292 C GLU B 102 -1.761 15.785 -1.798 1.00 0.72 C ATOM 3293 O GLU B 102 -2.328 14.808 -1.302 1.00 0.72 O ATOM 3294 CB GLU B 102 -3.017 17.700 -0.805 1.00 1.03 C ATOM 3295 CG GLU B 102 -4.323 18.467 -0.930 1.00 1.30 C ATOM 3296 CD GLU B 102 -5.524 17.626 -0.552 1.00 1.72 C ATOM 3297 OE1 GLU B 102 -5.838 17.537 0.655 1.00 1.82 O ATOM 3298 OE2 GLU B 102 -6.152 17.042 -1.459 1.00 2.51 O ATOM 0 H GLU B 102 -4.532 16.562 -2.502 1.00 0.88 H new ATOM 0 HA GLU B 102 -1.882 17.759 -2.628 1.00 0.85 H new ATOM 0 HB2 GLU B 102 -3.137 16.920 -0.053 1.00 1.03 H new ATOM 0 HB3 GLU B 102 -2.244 18.377 -0.441 1.00 1.03 H new ATOM 0 HG2 GLU B 102 -4.285 19.350 -0.292 1.00 1.30 H new ATOM 0 HG3 GLU B 102 -4.438 18.820 -1.955 1.00 1.30 H new ATOM 3305 N ILE B 103 -0.474 15.795 -2.108 1.00 0.68 N ATOM 3306 CA ILE B 103 0.379 14.650 -1.845 1.00 0.59 C ATOM 3307 C ILE B 103 0.704 14.569 -0.358 1.00 0.61 C ATOM 3308 O ILE B 103 1.385 15.445 0.190 1.00 0.74 O ATOM 3309 CB ILE B 103 1.701 14.719 -2.642 1.00 0.62 C ATOM 3310 CG1 ILE B 103 1.427 15.063 -4.111 1.00 0.67 C ATOM 3311 CG2 ILE B 103 2.453 13.396 -2.533 1.00 0.56 C ATOM 3312 CD1 ILE B 103 2.680 15.268 -4.933 1.00 0.99 C ATOM 0 H ILE B 103 0.002 16.585 -2.543 1.00 0.68 H new ATOM 0 HA ILE B 103 -0.169 13.762 -2.162 1.00 0.59 H new ATOM 0 HB ILE B 103 2.322 15.508 -2.217 1.00 0.62 H new ATOM 0 HG12 ILE B 103 0.837 14.263 -4.558 1.00 0.67 H new ATOM 0 HG13 ILE B 103 0.822 15.968 -4.156 1.00 0.67 H new ATOM 0 HG21 ILE B 103 3.382 13.458 -3.099 1.00 0.56 H new ATOM 0 HG22 ILE B 103 2.678 13.191 -1.486 1.00 0.56 H new ATOM 0 HG23 ILE B 103 1.836 12.593 -2.936 1.00 0.56 H new ATOM 0 HD11 ILE B 103 2.406 15.508 -5.960 1.00 0.99 H new ATOM 0 HD12 ILE B 103 3.261 16.088 -4.512 1.00 0.99 H new ATOM 0 HD13 ILE B 103 3.277 14.356 -4.920 1.00 0.99 H new ATOM 3324 N GLU B 104 0.195 13.536 0.297 1.00 0.54 N ATOM 3325 CA GLU B 104 0.446 13.342 1.719 1.00 0.59 C ATOM 3326 C GLU B 104 1.796 12.670 1.914 1.00 0.51 C ATOM 3327 O GLU B 104 2.684 13.204 2.581 1.00 0.56 O ATOM 3328 CB GLU B 104 -0.653 12.493 2.363 1.00 0.69 C ATOM 3329 CG GLU B 104 -1.842 13.296 2.865 1.00 0.85 C ATOM 3330 CD GLU B 104 -2.595 12.583 3.970 1.00 1.06 C ATOM 3331 OE1 GLU B 104 -2.021 12.405 5.067 1.00 1.44 O ATOM 3332 OE2 GLU B 104 -3.760 12.189 3.749 1.00 1.33 O ATOM 0 H GLU B 104 -0.393 12.821 -0.131 1.00 0.54 H new ATOM 0 HA GLU B 104 0.449 14.319 2.202 1.00 0.59 H new ATOM 0 HB2 GLU B 104 -1.004 11.760 1.637 1.00 0.69 H new ATOM 0 HB3 GLU B 104 -0.226 11.936 3.197 1.00 0.69 H new ATOM 0 HG2 GLU B 104 -1.496 14.263 3.230 1.00 0.85 H new ATOM 0 HG3 GLU B 104 -2.521 13.493 2.035 1.00 0.85 H new ATOM 3339 N TYR B 105 1.949 11.506 1.300 1.00 0.42 N ATOM 3340 CA TYR B 105 3.181 10.743 1.389 1.00 0.40 C ATOM 3341 C TYR B 105 3.309 9.810 0.189 1.00 0.33 C ATOM 3342 O TYR B 105 2.495 9.857 -0.735 1.00 0.37 O ATOM 3343 CB TYR B 105 3.239 9.944 2.702 1.00 0.46 C ATOM 3344 CG TYR B 105 2.007 9.107 2.996 1.00 0.47 C ATOM 3345 CD1 TYR B 105 1.758 7.926 2.304 1.00 0.45 C ATOM 3346 CD2 TYR B 105 1.101 9.493 3.976 1.00 0.59 C ATOM 3347 CE1 TYR B 105 0.643 7.158 2.579 1.00 0.55 C ATOM 3348 CE2 TYR B 105 -0.018 8.730 4.256 1.00 0.67 C ATOM 3349 CZ TYR B 105 -0.241 7.563 3.555 1.00 0.65 C ATOM 3350 OH TYR B 105 -1.350 6.796 3.833 1.00 0.77 O ATOM 0 H TYR B 105 1.226 11.067 0.730 1.00 0.42 H new ATOM 0 HA TYR B 105 4.018 11.441 1.382 1.00 0.40 H new ATOM 0 HB2 TYR B 105 4.108 9.287 2.672 1.00 0.46 H new ATOM 0 HB3 TYR B 105 3.393 10.639 3.527 1.00 0.46 H new ATOM 0 HD1 TYR B 105 2.448 7.604 1.538 1.00 0.45 H new ATOM 0 HD2 TYR B 105 1.274 10.405 4.529 1.00 0.59 H new ATOM 0 HE1 TYR B 105 0.465 6.244 2.031 1.00 0.55 H new ATOM 0 HE2 TYR B 105 -0.714 9.046 5.019 1.00 0.67 H new ATOM 0 HH TYR B 105 -1.870 7.220 4.547 1.00 0.77 H new ATOM 3360 N ILE B 106 4.331 8.974 0.204 1.00 0.26 N ATOM 3361 CA ILE B 106 4.567 8.026 -0.869 1.00 0.25 C ATOM 3362 C ILE B 106 4.632 6.610 -0.310 1.00 0.26 C ATOM 3363 O ILE B 106 5.435 6.319 0.579 1.00 0.28 O ATOM 3364 CB ILE B 106 5.886 8.321 -1.619 1.00 0.26 C ATOM 3365 CG1 ILE B 106 5.988 9.803 -1.980 1.00 0.31 C ATOM 3366 CG2 ILE B 106 5.981 7.465 -2.876 1.00 0.30 C ATOM 3367 CD1 ILE B 106 7.350 10.202 -2.507 1.00 0.36 C ATOM 0 H ILE B 106 5.018 8.933 0.957 1.00 0.26 H new ATOM 0 HA ILE B 106 3.738 8.122 -1.571 1.00 0.25 H new ATOM 0 HB ILE B 106 6.717 8.072 -0.959 1.00 0.26 H new ATOM 0 HG12 ILE B 106 5.233 10.039 -2.730 1.00 0.31 H new ATOM 0 HG13 ILE B 106 5.759 10.401 -1.098 1.00 0.31 H new ATOM 0 HG21 ILE B 106 6.915 7.683 -3.395 1.00 0.30 H new ATOM 0 HG22 ILE B 106 5.956 6.411 -2.601 1.00 0.30 H new ATOM 0 HG23 ILE B 106 5.140 7.689 -3.533 1.00 0.30 H new ATOM 0 HD11 ILE B 106 7.351 11.266 -2.743 1.00 0.36 H new ATOM 0 HD12 ILE B 106 8.107 9.997 -1.750 1.00 0.36 H new ATOM 0 HD13 ILE B 106 7.573 9.630 -3.408 1.00 0.36 H new ATOM 3379 N ILE B 107 3.784 5.739 -0.820 1.00 0.29 N ATOM 3380 CA ILE B 107 3.763 4.354 -0.383 1.00 0.34 C ATOM 3381 C ILE B 107 4.936 3.617 -1.020 1.00 0.40 C ATOM 3382 O ILE B 107 5.310 3.919 -2.151 1.00 0.52 O ATOM 3383 CB ILE B 107 2.443 3.660 -0.778 1.00 0.44 C ATOM 3384 CG1 ILE B 107 1.258 4.601 -0.555 1.00 0.46 C ATOM 3385 CG2 ILE B 107 2.258 2.378 0.017 1.00 0.53 C ATOM 3386 CD1 ILE B 107 -0.017 4.139 -1.226 1.00 0.79 C ATOM 0 H ILE B 107 3.098 5.965 -1.540 1.00 0.29 H new ATOM 0 HA ILE B 107 3.843 4.331 0.704 1.00 0.34 H new ATOM 0 HB ILE B 107 2.490 3.406 -1.837 1.00 0.44 H new ATOM 0 HG12 ILE B 107 1.080 4.700 0.516 1.00 0.46 H new ATOM 0 HG13 ILE B 107 1.517 5.592 -0.928 1.00 0.46 H new ATOM 0 HG21 ILE B 107 1.322 1.901 -0.274 1.00 0.53 H new ATOM 0 HG22 ILE B 107 3.088 1.701 -0.185 1.00 0.53 H new ATOM 0 HG23 ILE B 107 2.231 2.611 1.082 1.00 0.53 H new ATOM 0 HD11 ILE B 107 -0.814 4.855 -1.025 1.00 0.79 H new ATOM 0 HD12 ILE B 107 0.143 4.067 -2.302 1.00 0.79 H new ATOM 0 HD13 ILE B 107 -0.300 3.162 -0.835 1.00 0.79 H new ATOM 3398 N CYS B 108 5.538 2.685 -0.302 1.00 0.39 N ATOM 3399 CA CYS B 108 6.661 1.949 -0.850 1.00 0.47 C ATOM 3400 C CYS B 108 6.505 0.448 -0.651 1.00 0.37 C ATOM 3401 O CYS B 108 6.549 -0.056 0.473 1.00 0.43 O ATOM 3402 CB CYS B 108 7.980 2.431 -0.237 1.00 0.61 C ATOM 3403 SG CYS B 108 8.077 2.280 1.562 1.00 1.55 S ATOM 0 H CYS B 108 5.273 2.423 0.647 1.00 0.39 H new ATOM 0 HA CYS B 108 6.680 2.143 -1.923 1.00 0.47 H new ATOM 0 HB2 CYS B 108 8.799 1.865 -0.680 1.00 0.61 H new ATOM 0 HB3 CYS B 108 8.131 3.476 -0.509 1.00 0.61 H new ATOM 0 HG CYS B 108 6.890 2.417 2.074 1.00 1.55 H new ATOM 3409 N THR B 109 6.284 -0.253 -1.747 1.00 0.32 N ATOM 3410 CA THR B 109 6.167 -1.693 -1.721 1.00 0.29 C ATOM 3411 C THR B 109 7.548 -2.300 -1.945 1.00 0.26 C ATOM 3412 O THR B 109 7.916 -2.661 -3.069 1.00 0.27 O ATOM 3413 CB THR B 109 5.189 -2.195 -2.799 1.00 0.39 C ATOM 3414 OG1 THR B 109 4.180 -1.205 -3.044 1.00 0.48 O ATOM 3415 CG2 THR B 109 4.531 -3.492 -2.365 1.00 0.49 C ATOM 0 H THR B 109 6.181 0.160 -2.674 1.00 0.32 H new ATOM 0 HA THR B 109 5.773 -1.998 -0.752 1.00 0.29 H new ATOM 0 HB THR B 109 5.752 -2.376 -3.714 1.00 0.39 H new ATOM 0 HG1 THR B 109 3.295 -1.624 -3.008 1.00 0.48 H new ATOM 0 HG21 THR B 109 3.844 -3.829 -3.141 1.00 0.49 H new ATOM 0 HG22 THR B 109 5.296 -4.251 -2.203 1.00 0.49 H new ATOM 0 HG23 THR B 109 3.980 -3.328 -1.439 1.00 0.49 H new ATOM 3423 N ASN B 110 8.326 -2.351 -0.874 1.00 0.35 N ATOM 3424 CA ASN B 110 9.682 -2.884 -0.916 1.00 0.40 C ATOM 3425 C ASN B 110 9.657 -4.389 -1.122 1.00 0.45 C ATOM 3426 O ASN B 110 9.316 -5.137 -0.211 1.00 0.57 O ATOM 3427 CB ASN B 110 10.429 -2.557 0.383 1.00 0.53 C ATOM 3428 CG ASN B 110 10.453 -1.074 0.701 1.00 1.18 C ATOM 3429 OD1 ASN B 110 11.516 -0.397 0.304 1.00 1.84 O flip ATOM 3430 ND2 ASN B 110 9.522 -0.540 1.301 1.00 1.84 N flip ATOM 0 H ASN B 110 8.037 -2.025 0.048 1.00 0.35 H new ATOM 0 HA ASN B 110 10.202 -2.418 -1.753 1.00 0.40 H new ATOM 0 HB2 ASN B 110 9.960 -3.092 1.209 1.00 0.53 H new ATOM 0 HB3 ASN B 110 11.453 -2.923 0.308 1.00 0.53 H new ATOM 0 HD21 ASN B 110 8.717 -1.095 1.592 1.00 1.84 H new ATOM 0 HD22 ASN B 110 9.554 0.458 1.508 1.00 1.84 H new ATOM 3437 N THR B 111 10.012 -4.827 -2.319 1.00 0.39 N ATOM 3438 CA THR B 111 10.033 -6.245 -2.636 1.00 0.41 C ATOM 3439 C THR B 111 11.462 -6.707 -2.909 1.00 0.38 C ATOM 3440 O THR B 111 12.090 -6.266 -3.872 1.00 0.43 O ATOM 3441 CB THR B 111 9.138 -6.567 -3.855 1.00 0.45 C ATOM 3442 OG1 THR B 111 9.343 -5.605 -4.900 1.00 0.50 O ATOM 3443 CG2 THR B 111 7.669 -6.579 -3.464 1.00 0.52 C ATOM 0 H THR B 111 10.290 -4.219 -3.089 1.00 0.39 H new ATOM 0 HA THR B 111 9.638 -6.781 -1.773 1.00 0.41 H new ATOM 0 HB THR B 111 9.416 -7.557 -4.216 1.00 0.45 H new ATOM 0 HG1 THR B 111 9.985 -4.928 -4.600 1.00 0.50 H new ATOM 0 HG21 THR B 111 7.061 -6.808 -4.339 1.00 0.52 H new ATOM 0 HG22 THR B 111 7.502 -7.337 -2.698 1.00 0.52 H new ATOM 0 HG23 THR B 111 7.388 -5.601 -3.073 1.00 0.52 H new ATOM 3451 N ASN B 112 11.982 -7.579 -2.053 1.00 0.36 N ATOM 3452 CA ASN B 112 13.345 -8.080 -2.214 1.00 0.36 C ATOM 3453 C ASN B 112 13.474 -8.948 -3.460 1.00 0.34 C ATOM 3454 O ASN B 112 12.603 -9.770 -3.752 1.00 0.37 O ATOM 3455 CB ASN B 112 13.781 -8.873 -0.976 1.00 0.45 C ATOM 3456 CG ASN B 112 14.964 -9.791 -1.247 1.00 0.39 C ATOM 3457 OD1 ASN B 112 14.793 -10.980 -1.519 1.00 0.71 O ATOM 3458 ND2 ASN B 112 16.169 -9.244 -1.179 1.00 0.42 N ATOM 0 H ASN B 112 11.485 -7.953 -1.244 1.00 0.36 H new ATOM 0 HA ASN B 112 14.000 -7.216 -2.330 1.00 0.36 H new ATOM 0 HB2 ASN B 112 14.043 -8.177 -0.179 1.00 0.45 H new ATOM 0 HB3 ASN B 112 12.941 -9.468 -0.617 1.00 0.45 H new ATOM 0 HD21 ASN B 112 16.998 -9.812 -1.355 1.00 0.42 H new ATOM 0 HD22 ASN B 112 16.268 -8.255 -0.951 1.00 0.42 H new ATOM 3465 N VAL B 113 14.558 -8.746 -4.192 1.00 0.36 N ATOM 3466 CA VAL B 113 14.826 -9.507 -5.399 1.00 0.44 C ATOM 3467 C VAL B 113 15.939 -10.512 -5.131 1.00 0.50 C ATOM 3468 O VAL B 113 15.808 -11.701 -5.426 1.00 0.78 O ATOM 3469 CB VAL B 113 15.235 -8.585 -6.570 1.00 0.52 C ATOM 3470 CG1 VAL B 113 15.470 -9.389 -7.841 1.00 0.98 C ATOM 3471 CG2 VAL B 113 14.184 -7.511 -6.802 1.00 0.83 C ATOM 0 H VAL B 113 15.272 -8.054 -3.967 1.00 0.36 H new ATOM 0 HA VAL B 113 13.911 -10.028 -5.681 1.00 0.44 H new ATOM 0 HB VAL B 113 16.171 -8.096 -6.301 1.00 0.52 H new ATOM 0 HG11 VAL B 113 15.757 -8.716 -8.649 1.00 0.98 H new ATOM 0 HG12 VAL B 113 16.267 -10.113 -7.672 1.00 0.98 H new ATOM 0 HG13 VAL B 113 14.555 -9.915 -8.114 1.00 0.98 H new ATOM 0 HG21 VAL B 113 14.492 -6.873 -7.631 1.00 0.83 H new ATOM 0 HG22 VAL B 113 13.230 -7.981 -7.041 1.00 0.83 H new ATOM 0 HG23 VAL B 113 14.075 -6.908 -5.901 1.00 0.83 H new ATOM 3481 N LYS B 114 17.024 -10.026 -4.542 1.00 0.66 N ATOM 3482 CA LYS B 114 18.170 -10.862 -4.222 1.00 0.80 C ATOM 3483 C LYS B 114 18.919 -10.282 -3.026 1.00 0.96 C ATOM 3484 O LYS B 114 18.493 -10.530 -1.878 1.00 1.54 O ATOM 3485 CB LYS B 114 19.106 -10.973 -5.431 1.00 1.37 C ATOM 3486 CG LYS B 114 20.250 -11.953 -5.224 1.00 1.56 C ATOM 3487 CD LYS B 114 21.513 -11.486 -5.927 1.00 2.38 C ATOM 3488 CE LYS B 114 22.668 -11.331 -4.949 1.00 2.81 C ATOM 3489 NZ LYS B 114 22.406 -10.278 -3.932 1.00 3.21 N ATOM 3490 OXT LYS B 114 19.921 -9.566 -3.242 1.00 0.67 O ATOM 0 H LYS B 114 17.133 -9.048 -4.275 1.00 0.66 H new ATOM 0 HA LYS B 114 17.815 -11.861 -3.968 1.00 0.80 H new ATOM 0 HB2 LYS B 114 18.527 -11.281 -6.302 1.00 1.37 H new ATOM 0 HB3 LYS B 114 19.517 -9.988 -5.654 1.00 1.37 H new ATOM 0 HG2 LYS B 114 20.446 -12.066 -4.158 1.00 1.56 H new ATOM 0 HG3 LYS B 114 19.963 -12.935 -5.601 1.00 1.56 H new ATOM 0 HD2 LYS B 114 21.785 -12.202 -6.703 1.00 2.38 H new ATOM 0 HD3 LYS B 114 21.324 -10.534 -6.423 1.00 2.38 H new ATOM 0 HE2 LYS B 114 22.847 -12.282 -4.447 1.00 2.81 H new ATOM 0 HE3 LYS B 114 23.577 -11.085 -5.499 1.00 2.81 H new ATOM 0 HZ1 LYS B 114 22.594 -10.658 -2.982 1.00 3.21 H new ATOM 0 HZ2 LYS B 114 23.027 -9.463 -4.108 1.00 3.21 H new ATOM 0 HZ3 LYS B 114 21.413 -9.976 -3.993 1.00 3.21 H new TER 3504 LYS B 114