USER MOD reduce.3.24.130724 H: found=0, std=0, add=1065, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1052 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 MET CE :methyl -170:sc= -0.183 (180deg=-0.318) USER MOD Set 1.2: A 131 MET CE :methyl -117:sc=-0.00769 (180deg=-0.25) USER MOD Set 2.1: A 46 HIS : no HE2:sc= -1.01 X(o=0.41,f=0.62) USER MOD Set 2.2: A 55 GLN : amide:sc= 0.694 K(o=0.41,f=-1.3) USER MOD Set 2.3: A 58 CYS SG : rot -80:sc= -0.589 USER MOD Set 2.4: A 100 GLN : amide:sc= 1.31 K(o=0.41,f=-3.7) USER MOD Set 3.1: A 82 HIS : no HE2:sc= 0.376 K(o=1.6,f=-4.6!) USER MOD Set 3.2: A 88 SER OG : rot -161:sc= 1.2 USER MOD Set 4.1: A 73 CYS SG : rot 180:sc= 0 USER MOD Set 4.2: A 91 HIS : no HD1:sc= -0.36 K(o=-0.16,f=-4.4!) USER MOD Set 4.3: A 116 THR OG1 : rot 96:sc= 0.198 USER MOD Set 5.1: A 40 TYR OH : rot 14:sc= 0.872 USER MOD Set 5.2: A 89 MET CE :methyl 153:sc= -0.0923 (180deg=-0.443) USER MOD Set 6.1: A 4 LYS NZ :NH3+ 174:sc= 1.21 (180deg=0.74) USER MOD Set 6.2: A 6 TYR OH : rot 1:sc= 0.967 USER MOD Single : A 3 LYS NZ :NH3+ -167:sc= 1.18 (180deg=0.785) USER MOD Single : A 11 ASN : amide:sc= 0.378 K(o=0.38,f=-1.4!) USER MOD Single : A 14 LYS NZ :NH3+ -149:sc= 0.821 (180deg=-0.0341) USER MOD Single : A 22 ASN : amide:sc= -0.0461 K(o=-0.046,f=-1.5!) USER MOD Single : A 27 THR OG1 : rot 70:sc= -0.63 USER MOD Single : A 30 ASN : amide:sc= -0.206 K(o=-0.21,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 1.52 K(o=1.5,f=-6!) USER MOD Single : A 41 ASN : amide:sc= -1.76! C(o=-1.8!,f=-8.3!) USER MOD Single : A 44 THR OG1 : rot -51:sc= 0.678 USER MOD Single : A 54 SER OG : rot -100:sc= -0.378 USER MOD Single : A 62 ASN : amide:sc= -0.0099 K(o=-0.0099,f=-1.2!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -169:sc= 0.00679 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 78 ASN : amide:sc= -0.0262 K(o=-0.026,f=-1.3!) USER MOD Single : A 80 HIS : no HD1:sc= 0.934 K(o=0.93,f=-9.1!) USER MOD Single : A 84 THR OG1 : rot -70:sc= 0.805 USER MOD Single : A 87 MET CE :methyl 135:sc= -0.0682 (180deg=-0.733) USER MOD Single : A 96 THR OG1 : rot 70:sc= 0.598 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0547 USER MOD Single : A 99 CYS SG : rot 145:sc= -0.0648 USER MOD Single : A 105 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.69) USER MOD Single : A 108 GLN : amide:sc= -0.0853 X(o=-0.085,f=-0.27) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc=-0.00351 X(o=-0.0035,f=-0.4) USER MOD Single : A 120 GLN : amide:sc= 0.412 K(o=0.41,f=-0.9) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl -160:sc= -0.108 (180deg=-0.662) USER MOD Single : A 130 THR OG1 : rot -100:sc= 0.836 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -0.832 K(o=-0.83,f=-8.3!) USER MOD Single : A 137 MET CE :methyl -110:sc= -0.235 (180deg=-0.512) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -6.471 1.359 -11.990 1.00 0.00 N ATOM 19 CA ALA A 2 -5.792 0.818 -10.819 1.00 0.00 C ATOM 20 C ALA A 2 -4.279 0.869 -10.987 1.00 0.00 C ATOM 21 O ALA A 2 -3.769 0.875 -12.107 1.00 0.00 O ATOM 22 CB ALA A 2 -6.248 -0.610 -10.557 1.00 0.00 C ATOM 0 HA ALA A 2 -6.056 1.436 -9.961 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.733 -1.001 -9.680 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.324 -0.622 -10.381 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.015 -1.231 -11.422 1.00 0.00 H new ATOM 28 N LYS A 3 -3.566 0.904 -9.867 1.00 0.00 N ATOM 29 CA LYS A 3 -2.108 0.946 -9.888 1.00 0.00 C ATOM 30 C LYS A 3 -1.514 -0.112 -8.967 1.00 0.00 C ATOM 31 O LYS A 3 -2.241 -0.850 -8.302 1.00 0.00 O ATOM 32 CB LYS A 3 -1.607 2.335 -9.487 1.00 0.00 C ATOM 33 CG LYS A 3 -2.141 3.470 -10.350 1.00 0.00 C ATOM 34 CD LYS A 3 -1.491 4.795 -9.984 1.00 0.00 C ATOM 35 CE LYS A 3 -2.000 5.926 -10.867 1.00 0.00 C ATOM 36 NZ LYS A 3 -1.303 7.209 -10.584 1.00 0.00 N ATOM 0 H LYS A 3 -3.974 0.904 -8.932 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.782 0.733 -10.906 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -1.884 2.522 -8.450 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.518 2.342 -9.532 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.955 3.249 -11.401 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.221 3.546 -10.227 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.697 5.027 -8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.409 4.711 -10.085 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.859 5.660 -11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.071 6.053 -10.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.818 7.991 -11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.269 7.366 -9.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.334 7.168 -10.960 1.00 0.00 H new ATOM 50 N LYS A 4 -0.187 -0.180 -8.933 1.00 0.00 N ATOM 51 CA LYS A 4 0.508 -1.126 -8.068 1.00 0.00 C ATOM 52 C LYS A 4 1.702 -0.474 -7.385 1.00 0.00 C ATOM 53 O LYS A 4 2.441 0.295 -8.002 1.00 0.00 O ATOM 54 CB LYS A 4 0.964 -2.348 -8.869 1.00 0.00 C ATOM 55 CG LYS A 4 1.592 -3.452 -8.029 1.00 0.00 C ATOM 56 CD LYS A 4 2.061 -4.609 -8.899 1.00 0.00 C ATOM 57 CE LYS A 4 2.815 -5.647 -8.081 1.00 0.00 C ATOM 58 NZ LYS A 4 3.527 -6.627 -8.945 1.00 0.00 N ATOM 0 H LYS A 4 0.428 0.409 -9.494 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.192 -1.448 -7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.107 -2.758 -9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.684 -2.026 -9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.436 -3.050 -7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.868 -3.813 -7.299 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.202 -5.076 -9.380 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.705 -4.231 -9.693 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.534 -5.146 -7.433 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.116 -6.176 -7.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.109 -7.254 -8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.832 -7.195 -9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.138 -6.119 -9.616 1.00 0.00 H new ATOM 72 N GLY A 5 1.888 -0.783 -6.106 1.00 0.00 N ATOM 73 CA GLY A 5 2.977 -0.206 -5.328 1.00 0.00 C ATOM 74 C GLY A 5 4.025 -1.256 -4.982 1.00 0.00 C ATOM 75 O GLY A 5 3.714 -2.442 -4.870 1.00 0.00 O ATOM 0 H GLY A 5 1.297 -1.431 -5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.441 0.603 -5.892 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.581 0.231 -4.412 1.00 0.00 H new ATOM 79 N TYR A 6 5.266 -0.814 -4.814 1.00 0.00 N ATOM 80 CA TYR A 6 6.360 -1.715 -4.469 1.00 0.00 C ATOM 81 C TYR A 6 7.105 -1.228 -3.233 1.00 0.00 C ATOM 82 O TYR A 6 7.525 -0.073 -3.164 1.00 0.00 O ATOM 83 CB TYR A 6 7.325 -1.859 -5.648 1.00 0.00 C ATOM 84 CG TYR A 6 6.714 -2.527 -6.860 1.00 0.00 C ATOM 85 CD1 TYR A 6 5.974 -1.779 -7.764 1.00 0.00 C ATOM 86 CD2 TYR A 6 6.892 -3.887 -7.066 1.00 0.00 C ATOM 87 CE1 TYR A 6 5.415 -2.389 -8.870 1.00 0.00 C ATOM 88 CE2 TYR A 6 6.333 -4.497 -8.172 1.00 0.00 C ATOM 89 CZ TYR A 6 5.598 -3.752 -9.072 1.00 0.00 C ATOM 90 OH TYR A 6 5.041 -4.360 -10.174 1.00 0.00 O ATOM 0 H TYR A 6 5.540 0.164 -4.911 1.00 0.00 H new ATOM 0 HA TYR A 6 5.932 -2.692 -4.243 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.686 -0.871 -5.933 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.193 -2.435 -5.327 1.00 0.00 H new ATOM 0 HD1 TYR A 6 5.835 -0.720 -7.603 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.468 -4.469 -6.362 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.838 -1.809 -9.575 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.471 -5.556 -8.332 1.00 0.00 H new ATOM 0 HH TYR A 6 4.567 -3.692 -10.712 1.00 0.00 H new ATOM 100 N ILE A 7 7.266 -2.116 -2.258 1.00 0.00 N ATOM 101 CA ILE A 7 8.127 -1.848 -1.113 1.00 0.00 C ATOM 102 C ILE A 7 9.249 -2.875 -1.015 1.00 0.00 C ATOM 103 O ILE A 7 8.999 -4.067 -0.830 1.00 0.00 O ATOM 104 CB ILE A 7 7.317 -1.846 0.197 1.00 0.00 C ATOM 105 CG1 ILE A 7 6.366 -0.647 0.234 1.00 0.00 C ATOM 106 CG2 ILE A 7 8.248 -1.828 1.398 1.00 0.00 C ATOM 107 CD1 ILE A 7 5.338 -0.717 1.339 1.00 0.00 C ATOM 0 H ILE A 7 6.811 -3.029 -2.238 1.00 0.00 H new ATOM 0 HA ILE A 7 8.565 -0.861 -1.262 1.00 0.00 H new ATOM 0 HB ILE A 7 6.722 -2.759 0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.951 0.265 0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.851 -0.574 -0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.659 -1.827 2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.886 -2.712 1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.868 -0.932 1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.701 0.167 1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.727 -1.610 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.843 -0.758 2.304 1.00 0.00 H new ATOM 119 N LEU A 8 10.486 -2.407 -1.140 1.00 0.00 N ATOM 120 CA LEU A 8 11.652 -3.266 -0.966 1.00 0.00 C ATOM 121 C LEU A 8 12.300 -3.044 0.395 1.00 0.00 C ATOM 122 O LEU A 8 12.677 -1.924 0.739 1.00 0.00 O ATOM 123 CB LEU A 8 12.676 -3.001 -2.077 1.00 0.00 C ATOM 124 CG LEU A 8 13.992 -3.781 -1.968 1.00 0.00 C ATOM 125 CD1 LEU A 8 13.714 -5.271 -2.122 1.00 0.00 C ATOM 126 CD2 LEU A 8 14.961 -3.294 -3.035 1.00 0.00 C ATOM 0 H LEU A 8 10.708 -1.436 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 8 11.317 -4.302 -1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.214 -3.236 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.906 -1.936 -2.087 1.00 0.00 H new ATOM 0 HG LEU A 8 14.444 -3.614 -0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.649 -5.826 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.033 -5.597 -1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.261 -5.458 -3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.896 -3.848 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.526 -3.453 -4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.156 -2.231 -2.891 1.00 0.00 H new ATOM 138 N MET A 9 12.428 -4.119 1.164 1.00 0.00 N ATOM 139 CA MET A 9 12.979 -4.035 2.512 1.00 0.00 C ATOM 140 C MET A 9 14.494 -4.192 2.499 1.00 0.00 C ATOM 141 O MET A 9 15.048 -4.889 1.649 1.00 0.00 O ATOM 142 CB MET A 9 12.341 -5.093 3.410 1.00 0.00 C ATOM 143 CG MET A 9 10.820 -5.060 3.440 1.00 0.00 C ATOM 144 SD MET A 9 10.171 -3.482 4.028 1.00 0.00 S ATOM 145 CE MET A 9 10.634 -3.548 5.756 1.00 0.00 C ATOM 0 H MET A 9 12.158 -5.060 0.877 1.00 0.00 H new ATOM 0 HA MET A 9 12.748 -3.047 2.911 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.664 -6.079 3.075 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.715 -4.963 4.426 1.00 0.00 H new ATOM 0 HG2 MET A 9 10.436 -5.256 2.439 1.00 0.00 H new ATOM 0 HG3 MET A 9 10.456 -5.861 4.083 1.00 0.00 H new ATOM 0 HE1 MET A 9 10.151 -2.732 6.293 1.00 0.00 H new ATOM 0 HE2 MET A 9 10.317 -4.500 6.182 1.00 0.00 H new ATOM 0 HE3 MET A 9 11.716 -3.453 5.847 1.00 0.00 H new ATOM 155 N GLU A 10 15.159 -3.539 3.446 1.00 0.00 N ATOM 156 CA GLU A 10 16.610 -3.628 3.561 1.00 0.00 C ATOM 157 C GLU A 10 17.051 -5.047 3.895 1.00 0.00 C ATOM 158 O GLU A 10 18.189 -5.433 3.628 1.00 0.00 O ATOM 159 CB GLU A 10 17.119 -2.660 4.633 1.00 0.00 C ATOM 160 CG GLU A 10 18.636 -2.545 4.706 1.00 0.00 C ATOM 161 CD GLU A 10 19.245 -2.030 3.432 1.00 0.00 C ATOM 162 OE1 GLU A 10 18.794 -1.022 2.945 1.00 0.00 O ATOM 163 OE2 GLU A 10 20.163 -2.648 2.946 1.00 0.00 O ATOM 0 H GLU A 10 14.716 -2.942 4.145 1.00 0.00 H new ATOM 0 HA GLU A 10 17.038 -3.354 2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.700 -1.672 4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.744 -2.982 5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 10 18.906 -1.880 5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 10 19.059 -3.523 4.936 1.00 0.00 H new ATOM 170 N ASN A 11 16.143 -5.821 4.479 1.00 0.00 N ATOM 171 CA ASN A 11 16.434 -7.203 4.844 1.00 0.00 C ATOM 172 C ASN A 11 16.471 -8.101 3.615 1.00 0.00 C ATOM 173 O ASN A 11 16.903 -9.251 3.687 1.00 0.00 O ATOM 174 CB ASN A 11 15.419 -7.715 5.851 1.00 0.00 C ATOM 175 CG ASN A 11 15.569 -7.072 7.201 1.00 0.00 C ATOM 176 OD1 ASN A 11 16.633 -6.535 7.532 1.00 0.00 O ATOM 177 ND2 ASN A 11 14.525 -7.116 7.988 1.00 0.00 N ATOM 0 H ASN A 11 15.198 -5.515 4.710 1.00 0.00 H new ATOM 0 HA ASN A 11 17.421 -7.227 5.305 1.00 0.00 H new ATOM 0 HB2 ASN A 11 14.413 -7.529 5.474 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.527 -8.795 5.953 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.568 -6.697 8.917 1.00 0.00 H new ATOM 0 HD22 ASN A 11 13.668 -7.570 7.673 1.00 0.00 H new ATOM 184 N GLY A 12 16.016 -7.569 2.486 1.00 0.00 N ATOM 185 CA GLY A 12 15.972 -8.331 1.244 1.00 0.00 C ATOM 186 C GLY A 12 14.557 -8.805 0.938 1.00 0.00 C ATOM 187 O GLY A 12 14.303 -9.392 -0.113 1.00 0.00 O ATOM 0 H GLY A 12 15.672 -6.612 2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.337 -7.714 0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 12 16.638 -9.191 1.318 1.00 0.00 H new ATOM 191 N GLY A 13 13.638 -8.547 1.863 1.00 0.00 N ATOM 192 CA GLY A 13 12.241 -8.921 1.681 1.00 0.00 C ATOM 193 C GLY A 13 11.555 -8.013 0.669 1.00 0.00 C ATOM 194 O GLY A 13 11.980 -6.880 0.449 1.00 0.00 O ATOM 0 H GLY A 13 13.837 -8.080 2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.180 -9.956 1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.719 -8.865 2.636 1.00 0.00 H new ATOM 198 N LYS A 14 10.491 -8.520 0.054 1.00 0.00 N ATOM 199 CA LYS A 14 9.760 -7.767 -0.957 1.00 0.00 C ATOM 200 C LYS A 14 8.264 -7.770 -0.672 1.00 0.00 C ATOM 201 O LYS A 14 7.668 -8.823 -0.443 1.00 0.00 O ATOM 202 CB LYS A 14 10.031 -8.336 -2.350 1.00 0.00 C ATOM 203 CG LYS A 14 9.415 -7.534 -3.490 1.00 0.00 C ATOM 204 CD LYS A 14 10.078 -6.173 -3.629 1.00 0.00 C ATOM 205 CE LYS A 14 9.513 -5.398 -4.810 1.00 0.00 C ATOM 206 NZ LYS A 14 9.594 -6.175 -6.076 1.00 0.00 N ATOM 0 H LYS A 14 10.116 -9.450 0.239 1.00 0.00 H new ATOM 0 HA LYS A 14 10.111 -6.736 -0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.109 -8.392 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.650 -9.356 -2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.517 -8.088 -4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.348 -7.404 -3.311 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.932 -5.600 -2.713 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.153 -6.302 -3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.473 -5.139 -4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.059 -4.461 -4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.715 -5.522 -6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.405 -6.825 -6.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.719 -6.722 -6.204 1.00 0.00 H new ATOM 220 N ILE A 15 7.660 -6.587 -0.690 1.00 0.00 N ATOM 221 CA ILE A 15 6.223 -6.456 -0.485 1.00 0.00 C ATOM 222 C ILE A 15 5.552 -5.802 -1.686 1.00 0.00 C ATOM 223 O ILE A 15 5.744 -4.615 -1.947 1.00 0.00 O ATOM 224 CB ILE A 15 5.920 -5.634 0.782 1.00 0.00 C ATOM 225 CG1 ILE A 15 6.532 -6.308 2.013 1.00 0.00 C ATOM 226 CG2 ILE A 15 4.420 -5.460 0.957 1.00 0.00 C ATOM 227 CD1 ILE A 15 6.440 -5.476 3.273 1.00 0.00 C ATOM 0 H ILE A 15 8.145 -5.703 -0.845 1.00 0.00 H new ATOM 0 HA ILE A 15 5.821 -7.462 -0.362 1.00 0.00 H new ATOM 0 HB ILE A 15 6.368 -4.647 0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.031 -7.261 2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.580 -6.530 1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.224 -4.877 1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.011 -4.940 0.091 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.948 -6.438 1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.894 -6.019 4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.966 -4.533 3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.393 -5.276 3.501 1.00 0.00 H new ATOM 239 N GLU A 16 4.763 -6.585 -2.416 1.00 0.00 N ATOM 240 CA GLU A 16 4.080 -6.090 -3.604 1.00 0.00 C ATOM 241 C GLU A 16 2.570 -6.068 -3.402 1.00 0.00 C ATOM 242 O GLU A 16 1.974 -7.065 -2.996 1.00 0.00 O ATOM 243 CB GLU A 16 4.429 -6.953 -4.819 1.00 0.00 C ATOM 244 CG GLU A 16 5.905 -6.947 -5.191 1.00 0.00 C ATOM 245 CD GLU A 16 6.191 -7.695 -6.462 1.00 0.00 C ATOM 246 OE1 GLU A 16 5.259 -8.115 -7.105 1.00 0.00 O ATOM 247 OE2 GLU A 16 7.344 -7.848 -6.792 1.00 0.00 O ATOM 0 H GLU A 16 4.581 -7.566 -2.204 1.00 0.00 H new ATOM 0 HA GLU A 16 4.418 -5.069 -3.781 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.121 -7.980 -4.621 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.850 -6.606 -5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.243 -5.916 -5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.481 -7.389 -4.378 1.00 0.00 H new ATOM 254 N PHE A 17 1.956 -4.925 -3.688 1.00 0.00 N ATOM 255 CA PHE A 17 0.563 -4.692 -3.327 1.00 0.00 C ATOM 256 C PHE A 17 -0.150 -3.862 -4.388 1.00 0.00 C ATOM 257 O PHE A 17 0.469 -3.045 -5.069 1.00 0.00 O ATOM 258 CB PHE A 17 0.472 -3.984 -1.973 1.00 0.00 C ATOM 259 CG PHE A 17 1.282 -2.720 -1.896 1.00 0.00 C ATOM 260 CD1 PHE A 17 2.643 -2.765 -1.635 1.00 0.00 C ATOM 261 CD2 PHE A 17 0.682 -1.484 -2.082 1.00 0.00 C ATOM 262 CE1 PHE A 17 3.387 -1.604 -1.563 1.00 0.00 C ATOM 263 CE2 PHE A 17 1.424 -0.321 -2.011 1.00 0.00 C ATOM 264 CZ PHE A 17 2.777 -0.380 -1.751 1.00 0.00 C ATOM 0 H PHE A 17 2.402 -4.144 -4.170 1.00 0.00 H new ATOM 0 HA PHE A 17 0.072 -5.663 -3.259 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.572 -3.749 -1.765 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.806 -4.667 -1.192 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.127 -3.719 -1.486 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.377 -1.430 -2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.447 -1.654 -1.360 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.944 0.635 -2.159 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.358 0.529 -1.695 1.00 0.00 H new ATOM 274 N GLU A 18 -1.454 -4.078 -4.522 1.00 0.00 N ATOM 275 CA GLU A 18 -2.261 -3.320 -5.470 1.00 0.00 C ATOM 276 C GLU A 18 -2.845 -2.071 -4.823 1.00 0.00 C ATOM 277 O GLU A 18 -3.044 -2.025 -3.609 1.00 0.00 O ATOM 278 CB GLU A 18 -3.390 -4.193 -6.026 1.00 0.00 C ATOM 279 CG GLU A 18 -2.918 -5.382 -6.850 1.00 0.00 C ATOM 280 CD GLU A 18 -2.141 -4.977 -8.072 1.00 0.00 C ATOM 281 OE1 GLU A 18 -2.636 -4.176 -8.828 1.00 0.00 O ATOM 282 OE2 GLU A 18 -1.051 -5.467 -8.248 1.00 0.00 O ATOM 0 H GLU A 18 -1.975 -4.772 -3.986 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.610 -3.010 -6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.993 -4.559 -5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.041 -3.574 -6.644 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.296 -6.025 -6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.782 -5.972 -7.155 1.00 0.00 H new ATOM 289 N LEU A 19 -3.116 -1.059 -5.639 1.00 0.00 N ATOM 290 CA LEU A 19 -3.707 0.181 -5.152 1.00 0.00 C ATOM 291 C LEU A 19 -5.142 0.336 -5.639 1.00 0.00 C ATOM 292 O LEU A 19 -5.476 -0.065 -6.753 1.00 0.00 O ATOM 293 CB LEU A 19 -2.872 1.383 -5.612 1.00 0.00 C ATOM 294 CG LEU A 19 -1.443 1.452 -5.057 1.00 0.00 C ATOM 295 CD1 LEU A 19 -0.717 2.641 -5.671 1.00 0.00 C ATOM 296 CD2 LEU A 19 -1.492 1.563 -3.541 1.00 0.00 C ATOM 0 H LEU A 19 -2.935 -1.073 -6.643 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.716 0.142 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.819 1.370 -6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.396 2.296 -5.329 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.897 0.545 -5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.298 2.690 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.681 2.525 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.248 3.560 -5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.477 1.612 -3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.035 2.466 -3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.000 0.691 -3.129 1.00 0.00 H new ATOM 308 N PHE A 20 -5.988 0.920 -4.796 1.00 0.00 N ATOM 309 CA PHE A 20 -7.414 1.010 -5.083 1.00 0.00 C ATOM 310 C PHE A 20 -7.926 2.432 -4.890 1.00 0.00 C ATOM 311 O PHE A 20 -8.489 2.762 -3.845 1.00 0.00 O ATOM 312 CB PHE A 20 -8.202 0.053 -4.186 1.00 0.00 C ATOM 313 CG PHE A 20 -7.773 -1.382 -4.306 1.00 0.00 C ATOM 314 CD1 PHE A 20 -8.129 -2.136 -5.414 1.00 0.00 C ATOM 315 CD2 PHE A 20 -7.011 -1.979 -3.313 1.00 0.00 C ATOM 316 CE1 PHE A 20 -7.737 -3.456 -5.526 1.00 0.00 C ATOM 317 CE2 PHE A 20 -6.616 -3.299 -3.424 1.00 0.00 C ATOM 318 CZ PHE A 20 -6.979 -4.037 -4.530 1.00 0.00 C ATOM 0 H PHE A 20 -5.710 1.338 -3.908 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.560 0.728 -6.126 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.093 0.370 -3.149 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.261 0.128 -4.433 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.720 -1.686 -6.198 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.723 -1.407 -2.444 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.024 -4.033 -6.393 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.023 -3.752 -2.644 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.671 -5.068 -4.617 1.00 0.00 H new ATOM 328 N PRO A 21 -7.729 3.269 -5.903 1.00 0.00 N ATOM 329 CA PRO A 21 -8.237 4.635 -5.877 1.00 0.00 C ATOM 330 C PRO A 21 -9.761 4.656 -5.863 1.00 0.00 C ATOM 331 O PRO A 21 -10.374 5.681 -5.568 1.00 0.00 O ATOM 332 CB PRO A 21 -7.676 5.236 -7.169 1.00 0.00 C ATOM 333 CG PRO A 21 -7.477 4.060 -8.063 1.00 0.00 C ATOM 334 CD PRO A 21 -7.007 2.966 -7.143 1.00 0.00 C ATOM 0 HA PRO A 21 -7.939 5.189 -4.987 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.368 5.956 -7.606 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.739 5.763 -6.989 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.402 3.784 -8.568 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.741 4.271 -8.839 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.256 1.977 -7.527 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.927 2.990 -7.001 1.00 0.00 H new ATOM 342 N ASN A 22 -10.365 3.517 -6.184 1.00 0.00 N ATOM 343 CA ASN A 22 -11.811 3.363 -6.081 1.00 0.00 C ATOM 344 C ASN A 22 -12.253 3.276 -4.625 1.00 0.00 C ATOM 345 O ASN A 22 -13.398 3.587 -4.295 1.00 0.00 O ATOM 346 CB ASN A 22 -12.274 2.140 -6.853 1.00 0.00 C ATOM 347 CG ASN A 22 -12.195 2.333 -8.342 1.00 0.00 C ATOM 348 OD1 ASN A 22 -12.173 3.467 -8.833 1.00 0.00 O ATOM 349 ND2 ASN A 22 -12.148 1.246 -9.069 1.00 0.00 N ATOM 0 H ASN A 22 -9.875 2.687 -6.518 1.00 0.00 H new ATOM 0 HA ASN A 22 -12.274 4.246 -6.520 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.664 1.283 -6.568 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.302 1.906 -6.574 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.091 1.314 -10.085 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.169 0.331 -8.620 1.00 0.00 H new ATOM 356 N GLU A 23 -11.339 2.852 -3.759 1.00 0.00 N ATOM 357 CA GLU A 23 -11.609 2.796 -2.328 1.00 0.00 C ATOM 358 C GLU A 23 -11.238 4.106 -1.644 1.00 0.00 C ATOM 359 O GLU A 23 -11.967 4.595 -0.781 1.00 0.00 O ATOM 360 CB GLU A 23 -10.840 1.639 -1.685 1.00 0.00 C ATOM 361 CG GLU A 23 -11.286 0.257 -2.142 1.00 0.00 C ATOM 362 CD GLU A 23 -10.463 -0.850 -1.546 1.00 0.00 C ATOM 363 OE1 GLU A 23 -9.545 -0.557 -0.817 1.00 0.00 O ATOM 364 OE2 GLU A 23 -10.752 -1.992 -1.819 1.00 0.00 O ATOM 0 H GLU A 23 -10.404 2.542 -4.024 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.679 2.632 -2.198 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.779 1.757 -1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.949 1.703 -0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.332 0.111 -1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.226 0.202 -3.229 1.00 0.00 H new ATOM 371 N ALA A 24 -10.100 4.669 -2.036 1.00 0.00 N ATOM 372 CA ALA A 24 -9.638 5.932 -1.473 1.00 0.00 C ATOM 373 C ALA A 24 -8.807 6.715 -2.482 1.00 0.00 C ATOM 374 O ALA A 24 -7.589 6.557 -2.553 1.00 0.00 O ATOM 375 CB ALA A 24 -8.832 5.684 -0.205 1.00 0.00 C ATOM 0 H ALA A 24 -9.481 4.270 -2.742 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.515 6.529 -1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.494 6.636 0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.456 5.175 0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.968 5.062 -0.439 1.00 0.00 H new ATOM 381 N PRO A 25 -9.475 7.558 -3.262 1.00 0.00 N ATOM 382 CA PRO A 25 -8.805 8.340 -4.295 1.00 0.00 C ATOM 383 C PRO A 25 -7.646 9.139 -3.715 1.00 0.00 C ATOM 384 O PRO A 25 -6.507 9.016 -4.165 1.00 0.00 O ATOM 385 CB PRO A 25 -9.920 9.254 -4.812 1.00 0.00 C ATOM 386 CG PRO A 25 -11.168 8.468 -4.599 1.00 0.00 C ATOM 387 CD PRO A 25 -10.943 7.759 -3.289 1.00 0.00 C ATOM 0 HA PRO A 25 -8.360 7.729 -5.080 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.946 10.197 -4.267 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.778 9.498 -5.865 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.043 9.116 -4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.336 7.760 -5.411 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.283 8.357 -2.444 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.480 6.812 -3.246 1.00 0.00 H new ATOM 395 N VAL A 26 -7.943 9.961 -2.714 1.00 0.00 N ATOM 396 CA VAL A 26 -6.970 10.911 -2.188 1.00 0.00 C ATOM 397 C VAL A 26 -5.828 10.195 -1.480 1.00 0.00 C ATOM 398 O VAL A 26 -4.666 10.580 -1.606 1.00 0.00 O ATOM 399 CB VAL A 26 -7.649 11.884 -1.206 1.00 0.00 C ATOM 400 CG1 VAL A 26 -6.613 12.768 -0.528 1.00 0.00 C ATOM 401 CG2 VAL A 26 -8.679 12.729 -1.942 1.00 0.00 C ATOM 0 H VAL A 26 -8.851 9.988 -2.250 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.563 11.468 -3.032 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.158 11.307 -0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.111 13.449 0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.908 12.145 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.077 13.344 -1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.155 13.415 -1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.186 13.299 -2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.434 12.079 -2.383 1.00 0.00 H new ATOM 411 N THR A 27 -6.166 9.148 -0.733 1.00 0.00 N ATOM 412 CA THR A 27 -5.178 8.415 0.051 1.00 0.00 C ATOM 413 C THR A 27 -4.154 7.739 -0.850 1.00 0.00 C ATOM 414 O THR A 27 -2.950 7.808 -0.599 1.00 0.00 O ATOM 415 CB THR A 27 -5.854 7.362 0.948 1.00 0.00 C ATOM 416 OG1 THR A 27 -6.802 8.004 1.812 1.00 0.00 O ATOM 417 CG2 THR A 27 -4.817 6.637 1.792 1.00 0.00 C ATOM 0 H THR A 27 -7.117 8.788 -0.654 1.00 0.00 H new ATOM 0 HA THR A 27 -4.665 9.139 0.684 1.00 0.00 H new ATOM 0 HB THR A 27 -6.363 6.637 0.312 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.564 8.320 1.284 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.312 5.896 2.420 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.101 6.138 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.294 7.356 2.423 1.00 0.00 H new ATOM 425 N VAL A 28 -4.637 7.083 -1.900 1.00 0.00 N ATOM 426 CA VAL A 28 -3.760 6.467 -2.889 1.00 0.00 C ATOM 427 C VAL A 28 -2.874 7.506 -3.563 1.00 0.00 C ATOM 428 O VAL A 28 -1.675 7.292 -3.741 1.00 0.00 O ATOM 429 CB VAL A 28 -4.592 5.735 -3.958 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.708 5.306 -5.119 1.00 0.00 C ATOM 431 CG2 VAL A 28 -5.290 4.533 -3.338 1.00 0.00 C ATOM 0 H VAL A 28 -5.632 6.964 -2.088 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.124 5.752 -2.368 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.350 6.417 -4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.312 4.790 -5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.247 6.185 -5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.930 4.635 -4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.877 4.020 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.545 3.849 -2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.949 4.868 -2.537 1.00 0.00 H new ATOM 441 N ALA A 29 -3.471 8.634 -3.936 1.00 0.00 N ATOM 442 CA ALA A 29 -2.733 9.718 -4.573 1.00 0.00 C ATOM 443 C ALA A 29 -1.588 10.197 -3.689 1.00 0.00 C ATOM 444 O ALA A 29 -0.454 10.333 -4.146 1.00 0.00 O ATOM 445 CB ALA A 29 -3.666 10.873 -4.901 1.00 0.00 C ATOM 0 H ALA A 29 -4.466 8.821 -3.808 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.307 9.336 -5.500 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.100 11.674 -5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.447 10.529 -5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.121 11.245 -3.983 1.00 0.00 H new ATOM 451 N ASN A 30 -1.893 10.451 -2.420 1.00 0.00 N ATOM 452 CA ASN A 30 -0.897 10.946 -1.478 1.00 0.00 C ATOM 453 C ASN A 30 0.226 9.934 -1.282 1.00 0.00 C ATOM 454 O ASN A 30 1.405 10.287 -1.314 1.00 0.00 O ATOM 455 CB ASN A 30 -1.543 11.289 -0.148 1.00 0.00 C ATOM 456 CG ASN A 30 -2.352 12.555 -0.210 1.00 0.00 C ATOM 457 OD1 ASN A 30 -2.177 13.375 -1.119 1.00 0.00 O ATOM 458 ND2 ASN A 30 -3.235 12.731 0.739 1.00 0.00 N ATOM 0 H ASN A 30 -2.823 10.322 -2.021 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.462 11.854 -1.897 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.186 10.466 0.163 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.769 11.393 0.612 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.813 13.571 0.748 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.346 12.028 1.469 1.00 0.00 H new ATOM 465 N PHE A 31 -0.148 8.675 -1.080 1.00 0.00 N ATOM 466 CA PHE A 31 0.827 7.603 -0.920 1.00 0.00 C ATOM 467 C PHE A 31 1.767 7.529 -2.116 1.00 0.00 C ATOM 468 O PHE A 31 2.983 7.431 -1.956 1.00 0.00 O ATOM 469 CB PHE A 31 0.118 6.260 -0.738 1.00 0.00 C ATOM 470 CG PHE A 31 1.056 5.103 -0.534 1.00 0.00 C ATOM 471 CD1 PHE A 31 1.564 4.818 0.724 1.00 0.00 C ATOM 472 CD2 PHE A 31 1.430 4.298 -1.599 1.00 0.00 C ATOM 473 CE1 PHE A 31 2.427 3.755 0.913 1.00 0.00 C ATOM 474 CE2 PHE A 31 2.290 3.234 -1.414 1.00 0.00 C ATOM 475 CZ PHE A 31 2.789 2.962 -0.156 1.00 0.00 C ATOM 0 H PHE A 31 -1.120 8.372 -1.023 1.00 0.00 H new ATOM 0 HA PHE A 31 1.417 7.822 -0.030 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.553 6.327 0.118 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.501 6.064 -1.614 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.282 5.433 1.566 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.044 4.506 -2.586 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.818 3.545 1.898 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.572 2.615 -2.253 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.462 2.130 -0.009 1.00 0.00 H new ATOM 485 N GLU A 32 1.195 7.578 -3.314 1.00 0.00 N ATOM 486 CA GLU A 32 1.985 7.554 -4.540 1.00 0.00 C ATOM 487 C GLU A 32 2.958 8.724 -4.593 1.00 0.00 C ATOM 488 O GLU A 32 4.148 8.543 -4.851 1.00 0.00 O ATOM 489 CB GLU A 32 1.067 7.585 -5.766 1.00 0.00 C ATOM 490 CG GLU A 32 1.801 7.641 -7.098 1.00 0.00 C ATOM 491 CD GLU A 32 0.869 7.659 -8.278 1.00 0.00 C ATOM 492 OE1 GLU A 32 -0.321 7.696 -8.071 1.00 0.00 O ATOM 493 OE2 GLU A 32 1.347 7.637 -9.387 1.00 0.00 O ATOM 0 H GLU A 32 0.187 7.635 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 32 2.562 6.629 -4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.432 6.699 -5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.409 8.451 -5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.429 8.531 -7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.465 6.780 -7.178 1.00 0.00 H new ATOM 500 N LYS A 33 2.445 9.924 -4.345 1.00 0.00 N ATOM 501 CA LYS A 33 3.250 11.136 -4.445 1.00 0.00 C ATOM 502 C LYS A 33 4.433 11.092 -3.486 1.00 0.00 C ATOM 503 O LYS A 33 5.543 11.496 -3.836 1.00 0.00 O ATOM 504 CB LYS A 33 2.393 12.372 -4.167 1.00 0.00 C ATOM 505 CG LYS A 33 1.408 12.717 -5.276 1.00 0.00 C ATOM 506 CD LYS A 33 0.565 13.929 -4.909 1.00 0.00 C ATOM 507 CE LYS A 33 -0.438 14.260 -6.005 1.00 0.00 C ATOM 508 NZ LYS A 33 -1.260 15.452 -5.666 1.00 0.00 N ATOM 0 H LYS A 33 1.475 10.084 -4.073 1.00 0.00 H new ATOM 0 HA LYS A 33 3.638 11.196 -5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.839 12.214 -3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.051 13.226 -4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.952 12.916 -6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.758 11.863 -5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.036 13.737 -3.975 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.214 14.787 -4.737 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.093 14.440 -6.940 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.092 13.403 -6.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.930 15.643 -6.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.787 15.272 -4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.639 16.276 -5.535 1.00 0.00 H new ATOM 522 N LEU A 34 4.190 10.600 -2.277 1.00 0.00 N ATOM 523 CA LEU A 34 5.241 10.476 -1.275 1.00 0.00 C ATOM 524 C LEU A 34 6.269 9.428 -1.680 1.00 0.00 C ATOM 525 O LEU A 34 7.473 9.682 -1.655 1.00 0.00 O ATOM 526 CB LEU A 34 4.636 10.109 0.087 1.00 0.00 C ATOM 527 CG LEU A 34 3.802 11.206 0.761 1.00 0.00 C ATOM 528 CD1 LEU A 34 3.117 10.636 1.995 1.00 0.00 C ATOM 529 CD2 LEU A 34 4.702 12.376 1.128 1.00 0.00 C ATOM 0 H LEU A 34 3.273 10.280 -1.967 1.00 0.00 H new ATOM 0 HA LEU A 34 5.745 11.440 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.008 9.227 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.446 9.829 0.760 1.00 0.00 H new ATOM 0 HG LEU A 34 3.035 11.565 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.524 11.415 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.465 9.813 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.870 10.272 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.109 13.155 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.478 12.037 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.165 12.776 0.226 1.00 0.00 H new ATOM 541 N ALA A 35 5.785 8.247 -2.053 1.00 0.00 N ATOM 542 CA ALA A 35 6.663 7.137 -2.403 1.00 0.00 C ATOM 543 C ALA A 35 7.603 7.514 -3.540 1.00 0.00 C ATOM 544 O ALA A 35 8.802 7.237 -3.485 1.00 0.00 O ATOM 545 CB ALA A 35 5.843 5.912 -2.778 1.00 0.00 C ATOM 0 H ALA A 35 4.790 8.035 -2.120 1.00 0.00 H new ATOM 0 HA ALA A 35 7.271 6.901 -1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.512 5.091 -3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.219 5.619 -1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.209 6.146 -3.633 1.00 0.00 H new ATOM 551 N ASN A 36 7.053 8.148 -4.570 1.00 0.00 N ATOM 552 CA ASN A 36 7.814 8.456 -5.775 1.00 0.00 C ATOM 553 C ASN A 36 8.634 9.726 -5.599 1.00 0.00 C ATOM 554 O ASN A 36 9.273 10.200 -6.540 1.00 0.00 O ATOM 555 CB ASN A 36 6.890 8.578 -6.973 1.00 0.00 C ATOM 556 CG ASN A 36 6.400 7.245 -7.463 1.00 0.00 C ATOM 557 OD1 ASN A 36 7.042 6.212 -7.238 1.00 0.00 O ATOM 558 ND2 ASN A 36 5.275 7.245 -8.131 1.00 0.00 N ATOM 0 H ASN A 36 6.082 8.459 -4.594 1.00 0.00 H new ATOM 0 HA ASN A 36 8.506 7.633 -5.954 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.035 9.199 -6.706 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.414 9.088 -7.781 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.895 6.369 -8.489 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.778 8.121 -8.293 1.00 0.00 H new ATOM 565 N GLU A 37 8.614 10.275 -4.389 1.00 0.00 N ATOM 566 CA GLU A 37 9.546 11.330 -4.010 1.00 0.00 C ATOM 567 C GLU A 37 10.589 10.816 -3.025 1.00 0.00 C ATOM 568 O GLU A 37 11.407 11.584 -2.515 1.00 0.00 O ATOM 569 CB GLU A 37 8.793 12.514 -3.400 1.00 0.00 C ATOM 570 CG GLU A 37 7.951 13.303 -4.392 1.00 0.00 C ATOM 571 CD GLU A 37 7.200 14.436 -3.751 1.00 0.00 C ATOM 572 OE1 GLU A 37 7.371 14.647 -2.575 1.00 0.00 O ATOM 573 OE2 GLU A 37 6.453 15.091 -4.440 1.00 0.00 O ATOM 0 H GLU A 37 7.961 10.006 -3.653 1.00 0.00 H new ATOM 0 HA GLU A 37 10.060 11.660 -4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.145 12.146 -2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.514 13.188 -2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.597 13.699 -5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.242 12.630 -4.874 1.00 0.00 H new ATOM 580 N GLY A 38 10.556 9.515 -2.761 1.00 0.00 N ATOM 581 CA GLY A 38 11.552 8.880 -1.907 1.00 0.00 C ATOM 582 C GLY A 38 11.273 9.154 -0.436 1.00 0.00 C ATOM 583 O GLY A 38 12.170 9.073 0.403 1.00 0.00 O ATOM 0 H GLY A 38 9.848 8.878 -3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.555 7.805 -2.085 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.545 9.248 -2.166 1.00 0.00 H new ATOM 587 N PHE A 39 10.021 9.478 -0.127 1.00 0.00 N ATOM 588 CA PHE A 39 9.617 9.752 1.247 1.00 0.00 C ATOM 589 C PHE A 39 9.655 8.487 2.096 1.00 0.00 C ATOM 590 O PHE A 39 10.330 8.438 3.123 1.00 0.00 O ATOM 591 CB PHE A 39 8.211 10.353 1.281 1.00 0.00 C ATOM 592 CG PHE A 39 7.675 10.563 2.668 1.00 0.00 C ATOM 593 CD1 PHE A 39 8.032 11.683 3.403 1.00 0.00 C ATOM 594 CD2 PHE A 39 6.813 9.640 3.242 1.00 0.00 C ATOM 595 CE1 PHE A 39 7.539 11.877 4.679 1.00 0.00 C ATOM 596 CE2 PHE A 39 6.318 9.832 4.517 1.00 0.00 C ATOM 597 CZ PHE A 39 6.682 10.953 5.236 1.00 0.00 C ATOM 0 H PHE A 39 9.268 9.557 -0.811 1.00 0.00 H new ATOM 0 HA PHE A 39 10.325 10.469 1.663 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.222 11.309 0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.533 9.698 0.735 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.703 12.412 2.973 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.525 8.761 2.685 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.826 12.754 5.240 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.647 9.106 4.951 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.296 11.105 6.233 1.00 0.00 H new ATOM 607 N TYR A 40 8.926 7.466 1.658 1.00 0.00 N ATOM 608 CA TYR A 40 8.809 6.227 2.419 1.00 0.00 C ATOM 609 C TYR A 40 10.113 5.441 2.396 1.00 0.00 C ATOM 610 O TYR A 40 10.358 4.602 3.263 1.00 0.00 O ATOM 611 CB TYR A 40 7.663 5.371 1.875 1.00 0.00 C ATOM 612 CG TYR A 40 6.291 5.846 2.300 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.863 5.652 3.605 1.00 0.00 C ATOM 614 CD2 TYR A 40 5.461 6.477 1.384 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.610 6.085 3.992 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.208 6.911 1.773 1.00 0.00 C ATOM 617 CZ TYR A 40 3.785 6.712 3.082 1.00 0.00 C ATOM 618 OH TYR A 40 2.537 7.145 3.469 1.00 0.00 O ATOM 0 H TYR A 40 8.407 7.472 0.780 1.00 0.00 H new ATOM 0 HA TYR A 40 8.591 6.489 3.454 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.713 5.363 0.786 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.800 4.342 2.208 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.509 5.162 4.318 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.794 6.629 0.368 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.276 5.933 5.008 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.560 7.403 1.063 1.00 0.00 H new ATOM 0 HH TYR A 40 2.477 7.137 4.447 1.00 0.00 H new ATOM 628 N ASN A 41 10.946 5.716 1.398 1.00 0.00 N ATOM 629 CA ASN A 41 12.304 5.185 1.366 1.00 0.00 C ATOM 630 C ASN A 41 13.081 5.582 2.614 1.00 0.00 C ATOM 631 O ASN A 41 13.423 6.750 2.799 1.00 0.00 O ATOM 632 CB ASN A 41 13.029 5.649 0.116 1.00 0.00 C ATOM 633 CG ASN A 41 14.431 5.114 0.028 1.00 0.00 C ATOM 634 OD1 ASN A 41 15.034 4.750 1.044 1.00 0.00 O ATOM 635 ND2 ASN A 41 14.961 5.057 -1.166 1.00 0.00 N ATOM 0 H ASN A 41 10.704 6.304 0.600 1.00 0.00 H new ATOM 0 HA ASN A 41 12.238 4.097 1.345 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.468 5.333 -0.763 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.058 6.739 0.101 1.00 0.00 H new ATOM 0 HD21 ASN A 41 15.909 4.701 -1.287 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.426 5.368 -1.977 1.00 0.00 H new ATOM 642 N GLY A 42 13.356 4.603 3.469 1.00 0.00 N ATOM 643 CA GLY A 42 14.216 4.818 4.627 1.00 0.00 C ATOM 644 C GLY A 42 13.407 4.834 5.918 1.00 0.00 C ATOM 645 O GLY A 42 13.968 4.908 7.012 1.00 0.00 O ATOM 0 H GLY A 42 12.996 3.653 3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.968 4.031 4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.749 5.762 4.517 1.00 0.00 H new ATOM 649 N LEU A 43 12.088 4.765 5.784 1.00 0.00 N ATOM 650 CA LEU A 43 11.199 4.760 6.941 1.00 0.00 C ATOM 651 C LEU A 43 11.049 3.356 7.514 1.00 0.00 C ATOM 652 O LEU A 43 11.166 2.366 6.794 1.00 0.00 O ATOM 653 CB LEU A 43 9.821 5.311 6.554 1.00 0.00 C ATOM 654 CG LEU A 43 9.808 6.745 6.009 1.00 0.00 C ATOM 655 CD1 LEU A 43 8.372 7.242 5.920 1.00 0.00 C ATOM 656 CD2 LEU A 43 10.641 7.640 6.913 1.00 0.00 C ATOM 0 H LEU A 43 11.609 4.712 4.885 1.00 0.00 H new ATOM 0 HA LEU A 43 11.642 5.398 7.706 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.384 4.652 5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.174 5.269 7.430 1.00 0.00 H new ATOM 0 HG LEU A 43 10.242 6.767 5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.363 8.261 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.804 6.595 5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.920 7.227 6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.631 8.659 6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.223 7.631 7.920 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.667 7.273 6.943 1.00 0.00 H new ATOM 668 N THR A 44 10.788 3.279 8.815 1.00 0.00 N ATOM 669 CA THR A 44 10.791 2.005 9.522 1.00 0.00 C ATOM 670 C THR A 44 9.396 1.646 10.017 1.00 0.00 C ATOM 671 O THR A 44 8.496 2.485 10.027 1.00 0.00 O ATOM 672 CB THR A 44 11.771 2.032 10.711 1.00 0.00 C ATOM 673 OG1 THR A 44 11.298 2.954 11.701 1.00 0.00 O ATOM 674 CG2 THR A 44 13.156 2.456 10.250 1.00 0.00 C ATOM 0 H THR A 44 10.572 4.085 9.401 1.00 0.00 H new ATOM 0 HA THR A 44 11.118 1.244 8.813 1.00 0.00 H new ATOM 0 HB THR A 44 11.832 1.030 11.136 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.094 3.813 11.277 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.835 2.470 11.103 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.523 1.750 9.505 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.104 3.453 9.812 1.00 0.00 H new ATOM 682 N PHE A 45 9.223 0.395 10.429 1.00 0.00 N ATOM 683 CA PHE A 45 7.985 -0.039 11.065 1.00 0.00 C ATOM 684 C PHE A 45 8.134 -0.091 12.581 1.00 0.00 C ATOM 685 O PHE A 45 8.779 -0.990 13.121 1.00 0.00 O ATOM 686 CB PHE A 45 7.568 -1.415 10.542 1.00 0.00 C ATOM 687 CG PHE A 45 7.132 -1.409 9.104 1.00 0.00 C ATOM 688 CD1 PHE A 45 8.068 -1.432 8.081 1.00 0.00 C ATOM 689 CD2 PHE A 45 5.787 -1.379 8.772 1.00 0.00 C ATOM 690 CE1 PHE A 45 7.669 -1.425 6.758 1.00 0.00 C ATOM 691 CE2 PHE A 45 5.385 -1.375 7.451 1.00 0.00 C ATOM 692 CZ PHE A 45 6.327 -1.398 6.443 1.00 0.00 C ATOM 0 H PHE A 45 9.926 -0.338 10.334 1.00 0.00 H new ATOM 0 HA PHE A 45 7.213 0.689 10.817 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.404 -2.106 10.656 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.753 -1.796 11.158 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.121 -1.456 8.321 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.044 -1.359 9.556 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.408 -1.441 5.971 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.333 -1.354 7.207 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.014 -1.395 5.409 1.00 0.00 H new ATOM 702 N HIS A 46 7.533 0.879 13.263 1.00 0.00 N ATOM 703 CA HIS A 46 7.787 1.087 14.683 1.00 0.00 C ATOM 704 C HIS A 46 7.036 0.070 15.533 1.00 0.00 C ATOM 705 O HIS A 46 7.349 -0.124 16.707 1.00 0.00 O ATOM 706 CB HIS A 46 7.388 2.506 15.102 1.00 0.00 C ATOM 707 CG HIS A 46 5.908 2.733 15.118 1.00 0.00 C ATOM 708 ND1 HIS A 46 5.147 2.592 16.259 1.00 0.00 N ATOM 709 CD2 HIS A 46 5.050 3.091 14.135 1.00 0.00 C ATOM 710 CE1 HIS A 46 3.882 2.854 15.976 1.00 0.00 C ATOM 711 NE2 HIS A 46 3.798 3.159 14.694 1.00 0.00 N ATOM 0 H HIS A 46 6.866 1.534 12.854 1.00 0.00 H new ATOM 0 HA HIS A 46 8.856 0.954 14.848 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.789 2.709 16.095 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.849 3.220 14.420 1.00 0.00 H new ATOM 0 HD1 HIS A 46 5.504 2.327 17.177 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.303 3.287 13.103 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.058 2.824 16.674 1.00 0.00 H new ATOM 718 N ARG A 47 6.045 -0.578 14.931 1.00 0.00 N ATOM 719 CA ARG A 47 5.192 -1.515 15.653 1.00 0.00 C ATOM 720 C ARG A 47 4.704 -2.632 14.740 1.00 0.00 C ATOM 721 O ARG A 47 3.554 -2.630 14.300 1.00 0.00 O ATOM 722 CB ARG A 47 3.994 -0.794 16.254 1.00 0.00 C ATOM 723 CG ARG A 47 3.085 -1.665 17.107 1.00 0.00 C ATOM 724 CD ARG A 47 1.939 -0.895 17.652 1.00 0.00 C ATOM 725 NE ARG A 47 2.375 0.168 18.543 1.00 0.00 N ATOM 726 CZ ARG A 47 2.692 -0.004 19.841 1.00 0.00 C ATOM 727 NH1 ARG A 47 2.618 -1.200 20.383 1.00 0.00 N ATOM 728 NH2 ARG A 47 3.079 1.029 20.570 1.00 0.00 N ATOM 0 H ARG A 47 5.812 -0.472 13.944 1.00 0.00 H new ATOM 0 HA ARG A 47 5.789 -1.953 16.453 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.355 0.035 16.863 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.405 -0.362 15.445 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.713 -2.497 16.509 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.659 -2.094 17.929 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.365 -0.467 16.830 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.272 -1.569 18.190 1.00 0.00 H new ATOM 0 HE ARG A 47 2.446 1.110 18.158 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.321 -1.997 19.821 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.858 -1.330 21.366 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.138 1.956 20.150 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.319 0.898 21.553 1.00 0.00 H new ATOM 742 N VAL A 48 5.585 -3.587 14.459 1.00 0.00 N ATOM 743 CA VAL A 48 5.219 -4.759 13.672 1.00 0.00 C ATOM 744 C VAL A 48 4.548 -5.817 14.539 1.00 0.00 C ATOM 745 O VAL A 48 5.135 -6.304 15.505 1.00 0.00 O ATOM 746 CB VAL A 48 6.466 -5.364 13.003 1.00 0.00 C ATOM 747 CG1 VAL A 48 6.103 -6.632 12.247 1.00 0.00 C ATOM 748 CG2 VAL A 48 7.101 -4.343 12.070 1.00 0.00 C ATOM 0 H VAL A 48 6.558 -3.572 14.765 1.00 0.00 H new ATOM 0 HA VAL A 48 4.514 -4.436 12.906 1.00 0.00 H new ATOM 0 HB VAL A 48 7.188 -5.627 13.776 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.997 -7.046 11.780 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.684 -7.362 12.940 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.367 -6.399 11.478 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.983 -4.778 11.600 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.384 -4.058 11.301 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.392 -3.461 12.640 1.00 0.00 H new ATOM 758 N ILE A 49 3.315 -6.166 14.189 1.00 0.00 N ATOM 759 CA ILE A 49 2.570 -7.184 14.922 1.00 0.00 C ATOM 760 C ILE A 49 2.002 -8.237 13.978 1.00 0.00 C ATOM 761 O ILE A 49 0.934 -8.051 13.397 1.00 0.00 O ATOM 762 CB ILE A 49 1.426 -6.549 15.732 1.00 0.00 C ATOM 763 CG1 ILE A 49 1.967 -5.449 16.651 1.00 0.00 C ATOM 764 CG2 ILE A 49 0.695 -7.610 16.541 1.00 0.00 C ATOM 765 CD1 ILE A 49 0.892 -4.675 17.376 1.00 0.00 C ATOM 0 H ILE A 49 2.810 -5.759 13.402 1.00 0.00 H new ATOM 0 HA ILE A 49 3.267 -7.667 15.607 1.00 0.00 H new ATOM 0 HB ILE A 49 0.718 -6.098 15.036 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.635 -5.899 17.385 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.564 -4.755 16.059 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.111 -7.144 17.108 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.279 -8.359 15.867 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.393 -8.088 17.228 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.353 -3.915 18.006 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.237 -4.195 16.649 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.309 -5.356 17.996 1.00 0.00 H new ATOM 777 N PRO A 50 2.724 -9.342 13.832 1.00 0.00 N ATOM 778 CA PRO A 50 2.291 -10.430 12.963 1.00 0.00 C ATOM 779 C PRO A 50 1.105 -11.174 13.561 1.00 0.00 C ATOM 780 O PRO A 50 1.054 -11.412 14.768 1.00 0.00 O ATOM 781 CB PRO A 50 3.533 -11.322 12.881 1.00 0.00 C ATOM 782 CG PRO A 50 4.242 -11.081 14.169 1.00 0.00 C ATOM 783 CD PRO A 50 4.044 -9.613 14.438 1.00 0.00 C ATOM 0 HA PRO A 50 1.947 -10.090 11.986 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.263 -12.372 12.766 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.157 -11.058 12.027 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.827 -11.691 14.971 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.300 -11.332 14.093 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.051 -9.393 15.506 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.829 -9.009 13.983 1.00 0.00 H new ATOM 791 N GLY A 51 0.151 -11.539 12.711 1.00 0.00 N ATOM 792 CA GLY A 51 -1.075 -12.185 13.165 1.00 0.00 C ATOM 793 C GLY A 51 -2.185 -11.167 13.390 1.00 0.00 C ATOM 794 O GLY A 51 -3.348 -11.529 13.562 1.00 0.00 O ATOM 0 H GLY A 51 0.204 -11.398 11.702 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.396 -12.920 12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.882 -12.727 14.091 1.00 0.00 H new ATOM 798 N PHE A 52 -1.817 -9.889 13.387 1.00 0.00 N ATOM 799 CA PHE A 52 -2.788 -8.813 13.548 1.00 0.00 C ATOM 800 C PHE A 52 -2.592 -7.732 12.492 1.00 0.00 C ATOM 801 O PHE A 52 -3.164 -7.803 11.404 1.00 0.00 O ATOM 802 CB PHE A 52 -2.674 -8.196 14.943 1.00 0.00 C ATOM 803 CG PHE A 52 -3.078 -9.126 16.051 1.00 0.00 C ATOM 804 CD1 PHE A 52 -4.403 -9.222 16.449 1.00 0.00 C ATOM 805 CD2 PHE A 52 -2.133 -9.909 16.698 1.00 0.00 C ATOM 806 CE1 PHE A 52 -4.775 -10.077 17.469 1.00 0.00 C ATOM 807 CE2 PHE A 52 -2.503 -10.765 17.718 1.00 0.00 C ATOM 808 CZ PHE A 52 -3.824 -10.849 18.103 1.00 0.00 C ATOM 0 H PHE A 52 -0.853 -9.574 13.275 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.782 -9.242 13.424 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.645 -7.877 15.106 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.296 -7.302 14.987 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.153 -8.621 15.956 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.096 -9.849 16.401 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.810 -10.141 17.770 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.757 -11.368 18.214 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.114 -11.518 18.900 1.00 0.00 H new ATOM 818 N VAL A 53 -1.780 -6.734 12.818 1.00 0.00 N ATOM 819 CA VAL A 53 -1.529 -5.621 11.910 1.00 0.00 C ATOM 820 C VAL A 53 -0.239 -4.895 12.271 1.00 0.00 C ATOM 821 O VAL A 53 -0.024 -4.530 13.427 1.00 0.00 O ATOM 822 CB VAL A 53 -2.703 -4.625 11.947 1.00 0.00 C ATOM 823 CG1 VAL A 53 -2.897 -4.082 13.356 1.00 0.00 C ATOM 824 CG2 VAL A 53 -2.453 -3.492 10.962 1.00 0.00 C ATOM 0 H VAL A 53 -1.283 -6.672 13.706 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.429 -6.030 10.905 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.616 -5.144 11.656 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.731 -3.380 13.364 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.110 -4.906 14.037 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.989 -3.571 13.677 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.288 -2.792 10.994 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.533 -2.973 11.231 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.359 -3.899 9.955 1.00 0.00 H new ATOM 834 N SER A 54 0.616 -4.687 11.275 1.00 0.00 N ATOM 835 CA SER A 54 1.864 -3.963 11.476 1.00 0.00 C ATOM 836 C SER A 54 1.696 -2.480 11.167 1.00 0.00 C ATOM 837 O SER A 54 1.233 -2.110 10.088 1.00 0.00 O ATOM 838 CB SER A 54 2.955 -4.550 10.602 1.00 0.00 C ATOM 839 OG SER A 54 4.098 -3.738 10.612 1.00 0.00 O ATOM 0 H SER A 54 0.466 -5.011 10.319 1.00 0.00 H new ATOM 0 HA SER A 54 2.147 -4.065 12.524 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.211 -5.549 10.955 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.590 -4.657 9.581 1.00 0.00 H new ATOM 0 HG SER A 54 4.119 -3.193 9.798 1.00 0.00 H new ATOM 845 N GLN A 55 2.077 -1.636 12.119 1.00 0.00 N ATOM 846 CA GLN A 55 2.053 -0.193 11.918 1.00 0.00 C ATOM 847 C GLN A 55 3.458 0.359 11.715 1.00 0.00 C ATOM 848 O GLN A 55 4.371 0.059 12.485 1.00 0.00 O ATOM 849 CB GLN A 55 1.386 0.504 13.107 1.00 0.00 C ATOM 850 CG GLN A 55 1.233 2.006 12.942 1.00 0.00 C ATOM 851 CD GLN A 55 0.536 2.651 14.126 1.00 0.00 C ATOM 852 OE1 GLN A 55 -0.017 1.963 14.988 1.00 0.00 O ATOM 853 NE2 GLN A 55 0.560 3.977 14.175 1.00 0.00 N ATOM 0 H GLN A 55 2.407 -1.927 13.039 1.00 0.00 H new ATOM 0 HA GLN A 55 1.473 0.006 11.017 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.401 0.065 13.265 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.971 0.306 14.005 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.217 2.457 12.814 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.667 2.213 12.034 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.029 4.506 13.440 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.109 4.467 14.948 1.00 0.00 H new ATOM 862 N GLY A 56 3.627 1.167 10.673 1.00 0.00 N ATOM 863 CA GLY A 56 4.932 1.721 10.337 1.00 0.00 C ATOM 864 C GLY A 56 4.795 3.036 9.581 1.00 0.00 C ATOM 865 O GLY A 56 3.687 3.537 9.384 1.00 0.00 O ATOM 0 H GLY A 56 2.875 1.452 10.046 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.508 1.881 11.249 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.488 1.006 9.730 1.00 0.00 H new ATOM 869 N GLY A 57 5.925 3.592 9.158 1.00 0.00 N ATOM 870 CA GLY A 57 5.935 4.870 8.457 1.00 0.00 C ATOM 871 C GLY A 57 6.667 5.935 9.265 1.00 0.00 C ATOM 872 O GLY A 57 6.433 7.130 9.088 1.00 0.00 O ATOM 0 H GLY A 57 6.847 3.177 9.289 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.416 4.752 7.486 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.911 5.192 8.268 1.00 0.00 H new ATOM 876 N CYS A 58 7.552 5.494 10.151 1.00 0.00 N ATOM 877 CA CYS A 58 8.246 6.400 11.058 1.00 0.00 C ATOM 878 C CYS A 58 9.724 6.507 10.707 1.00 0.00 C ATOM 879 O CYS A 58 10.416 5.497 10.578 1.00 0.00 O ATOM 880 CB CYS A 58 8.104 5.927 12.505 1.00 0.00 C ATOM 881 SG CYS A 58 6.400 5.907 13.112 1.00 0.00 S ATOM 0 H CYS A 58 7.806 4.512 10.261 1.00 0.00 H new ATOM 0 HA CYS A 58 7.787 7.383 10.951 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.520 4.923 12.590 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.700 6.575 13.148 1.00 0.00 H new ATOM 0 HG CYS A 58 6.047 7.110 13.455 1.00 0.00 H new ATOM 887 N PRO A 59 10.203 7.738 10.553 1.00 0.00 N ATOM 888 CA PRO A 59 11.601 7.979 10.215 1.00 0.00 C ATOM 889 C PRO A 59 12.531 7.387 11.266 1.00 0.00 C ATOM 890 O PRO A 59 13.625 6.919 10.948 1.00 0.00 O ATOM 891 CB PRO A 59 11.688 9.507 10.179 1.00 0.00 C ATOM 892 CG PRO A 59 10.300 9.945 9.855 1.00 0.00 C ATOM 893 CD PRO A 59 9.419 8.980 10.601 1.00 0.00 C ATOM 0 HA PRO A 59 11.905 7.515 9.277 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.019 9.910 11.136 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.399 9.848 9.426 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.123 10.972 10.174 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.112 9.907 8.782 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.235 9.305 11.625 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.446 8.865 10.123 1.00 0.00 H new ATOM 901 N ARG A 60 12.092 7.413 12.520 1.00 0.00 N ATOM 902 CA ARG A 60 12.948 7.039 13.639 1.00 0.00 C ATOM 903 C ARG A 60 12.481 5.738 14.278 1.00 0.00 C ATOM 904 O ARG A 60 13.239 5.079 14.991 1.00 0.00 O ATOM 905 CB ARG A 60 12.967 8.139 14.690 1.00 0.00 C ATOM 906 CG ARG A 60 13.556 9.460 14.223 1.00 0.00 C ATOM 907 CD ARG A 60 13.539 10.482 15.301 1.00 0.00 C ATOM 908 NE ARG A 60 14.075 11.755 14.851 1.00 0.00 N ATOM 909 CZ ARG A 60 14.134 12.871 15.604 1.00 0.00 C ATOM 910 NH1 ARG A 60 13.686 12.853 16.841 1.00 0.00 N ATOM 911 NH2 ARG A 60 14.643 13.983 15.102 1.00 0.00 N ATOM 0 H ARG A 60 11.147 7.690 12.787 1.00 0.00 H new ATOM 0 HA ARG A 60 13.955 6.896 13.247 1.00 0.00 H new ATOM 0 HB2 ARG A 60 11.947 8.313 15.031 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.536 7.789 15.551 1.00 0.00 H new ATOM 0 HG2 ARG A 60 14.581 9.303 13.887 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.992 9.827 13.365 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.517 10.622 15.652 1.00 0.00 H new ATOM 0 HD3 ARG A 60 14.121 10.123 16.150 1.00 0.00 H new ATOM 0 HE ARG A 60 14.432 11.808 13.897 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.295 11.995 17.229 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.730 13.697 17.412 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.992 13.997 14.144 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.687 14.827 15.673 1.00 0.00 H new ATOM 925 N GLY A 61 11.230 5.373 14.020 1.00 0.00 N ATOM 926 CA GLY A 61 10.652 4.162 14.591 1.00 0.00 C ATOM 927 C GLY A 61 10.207 4.388 16.029 1.00 0.00 C ATOM 928 O GLY A 61 10.101 3.445 16.812 1.00 0.00 O ATOM 0 H GLY A 61 10.596 5.899 13.418 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.800 3.844 13.990 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.384 3.356 14.557 1.00 0.00 H new ATOM 932 N ASN A 62 9.948 5.645 16.372 1.00 0.00 N ATOM 933 CA ASN A 62 9.531 6.000 17.723 1.00 0.00 C ATOM 934 C ASN A 62 8.022 6.197 17.800 1.00 0.00 C ATOM 935 O ASN A 62 7.490 6.594 18.837 1.00 0.00 O ATOM 936 CB ASN A 62 10.257 7.247 18.196 1.00 0.00 C ATOM 937 CG ASN A 62 11.720 7.006 18.442 1.00 0.00 C ATOM 938 OD1 ASN A 62 12.133 5.881 18.751 1.00 0.00 O ATOM 939 ND2 ASN A 62 12.512 8.038 18.309 1.00 0.00 N ATOM 0 H ASN A 62 10.020 6.436 15.732 1.00 0.00 H new ATOM 0 HA ASN A 62 9.795 5.174 18.383 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.143 8.034 17.451 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.793 7.607 19.114 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.515 7.934 18.462 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.127 8.947 18.053 1.00 0.00 H new ATOM 946 N GLY A 63 7.338 5.918 16.696 1.00 0.00 N ATOM 947 CA GLY A 63 5.887 6.054 16.640 1.00 0.00 C ATOM 948 C GLY A 63 5.481 7.452 16.195 1.00 0.00 C ATOM 949 O GLY A 63 4.294 7.778 16.143 1.00 0.00 O ATOM 0 H GLY A 63 7.765 5.596 15.827 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.477 5.317 15.950 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.461 5.844 17.621 1.00 0.00 H new ATOM 953 N THR A 64 6.472 8.277 15.874 1.00 0.00 N ATOM 954 CA THR A 64 6.219 9.644 15.435 1.00 0.00 C ATOM 955 C THR A 64 6.678 9.855 13.998 1.00 0.00 C ATOM 956 O THR A 64 7.862 9.719 13.689 1.00 0.00 O ATOM 957 CB THR A 64 6.920 10.660 16.357 1.00 0.00 C ATOM 958 OG1 THR A 64 6.423 10.519 17.694 1.00 0.00 O ATOM 959 CG2 THR A 64 6.667 12.081 15.874 1.00 0.00 C ATOM 0 H THR A 64 7.459 8.022 15.910 1.00 0.00 H new ATOM 0 HA THR A 64 5.142 9.806 15.486 1.00 0.00 H new ATOM 0 HB THR A 64 7.992 10.465 16.338 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.871 11.165 18.279 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.169 12.785 16.537 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.055 12.196 14.862 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.596 12.281 15.877 1.00 0.00 H new ATOM 967 N GLY A 65 5.735 10.189 13.124 1.00 0.00 N ATOM 968 CA GLY A 65 6.043 10.429 11.720 1.00 0.00 C ATOM 969 C GLY A 65 6.535 11.854 11.499 1.00 0.00 C ATOM 970 O GLY A 65 6.584 12.656 12.432 1.00 0.00 O ATOM 0 H GLY A 65 4.750 10.300 13.364 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.804 9.723 11.386 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.154 10.250 11.114 1.00 0.00 H new ATOM 974 N ASP A 66 6.899 12.164 10.259 1.00 0.00 N ATOM 975 CA ASP A 66 7.380 13.496 9.912 1.00 0.00 C ATOM 976 C ASP A 66 6.900 13.912 8.528 1.00 0.00 C ATOM 977 O ASP A 66 7.638 13.811 7.548 1.00 0.00 O ATOM 978 CB ASP A 66 8.908 13.544 9.965 1.00 0.00 C ATOM 979 CG ASP A 66 9.463 14.954 9.796 1.00 0.00 C ATOM 980 OD1 ASP A 66 8.683 15.864 9.647 1.00 0.00 O ATOM 981 OD2 ASP A 66 10.661 15.105 9.816 1.00 0.00 O ATOM 0 H ASP A 66 6.870 11.510 9.477 1.00 0.00 H new ATOM 0 HA ASP A 66 6.974 14.195 10.643 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.246 13.137 10.918 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.314 12.903 9.183 1.00 0.00 H new ATOM 986 N ALA A 67 5.659 14.379 8.453 1.00 0.00 N ATOM 987 CA ALA A 67 5.072 14.800 7.186 1.00 0.00 C ATOM 988 C ALA A 67 4.096 15.952 7.386 1.00 0.00 C ATOM 989 O ALA A 67 3.532 16.120 8.468 1.00 0.00 O ATOM 990 CB ALA A 67 4.378 13.629 6.509 1.00 0.00 C ATOM 0 H ALA A 67 5.038 14.476 9.257 1.00 0.00 H new ATOM 0 HA ALA A 67 5.878 15.151 6.542 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.945 13.959 5.565 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.103 12.837 6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.588 13.250 7.157 1.00 0.00 H new ATOM 996 N GLY A 68 3.898 16.742 6.337 1.00 0.00 N ATOM 997 CA GLY A 68 2.904 17.809 6.357 1.00 0.00 C ATOM 998 C GLY A 68 1.668 17.423 5.553 1.00 0.00 C ATOM 999 O GLY A 68 1.002 18.280 4.973 1.00 0.00 O ATOM 0 H GLY A 68 4.414 16.664 5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.619 18.025 7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.337 18.722 5.948 1.00 0.00 H new ATOM 1003 N TYR A 69 1.368 16.129 5.522 1.00 0.00 N ATOM 1004 CA TYR A 69 0.259 15.619 4.726 1.00 0.00 C ATOM 1005 C TYR A 69 -0.773 14.922 5.601 1.00 0.00 C ATOM 1006 O TYR A 69 -0.427 14.258 6.578 1.00 0.00 O ATOM 1007 CB TYR A 69 0.771 14.663 3.645 1.00 0.00 C ATOM 1008 CG TYR A 69 1.690 15.317 2.637 1.00 0.00 C ATOM 1009 CD1 TYR A 69 3.046 15.430 2.906 1.00 0.00 C ATOM 1010 CD2 TYR A 69 1.176 15.802 1.443 1.00 0.00 C ATOM 1011 CE1 TYR A 69 3.885 16.027 1.985 1.00 0.00 C ATOM 1012 CE2 TYR A 69 2.016 16.400 0.524 1.00 0.00 C ATOM 1013 CZ TYR A 69 3.364 16.512 0.791 1.00 0.00 C ATOM 1014 OH TYR A 69 4.201 17.107 -0.125 1.00 0.00 O ATOM 0 H TYR A 69 1.879 15.414 6.040 1.00 0.00 H new ATOM 0 HA TYR A 69 -0.225 16.469 4.244 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.300 13.838 4.123 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.082 14.233 3.120 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.446 15.051 3.835 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.121 15.712 1.232 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.941 16.117 2.192 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.617 16.780 -0.405 1.00 0.00 H new ATOM 0 HH TYR A 69 3.682 17.391 -0.906 1.00 0.00 H new ATOM 1024 N THR A 70 -2.045 15.075 5.246 1.00 0.00 N ATOM 1025 CA THR A 70 -3.131 14.456 5.997 1.00 0.00 C ATOM 1026 C THR A 70 -3.944 13.517 5.116 1.00 0.00 C ATOM 1027 O THR A 70 -3.911 13.617 3.890 1.00 0.00 O ATOM 1028 CB THR A 70 -4.057 15.522 6.611 1.00 0.00 C ATOM 1029 OG1 THR A 70 -4.607 16.338 5.569 1.00 0.00 O ATOM 1030 CG2 THR A 70 -3.288 16.399 7.586 1.00 0.00 C ATOM 0 H THR A 70 -2.349 15.623 4.441 1.00 0.00 H new ATOM 0 HA THR A 70 -2.679 13.877 6.802 1.00 0.00 H new ATOM 0 HB THR A 70 -4.860 15.018 7.149 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.052 17.117 5.964 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.959 17.146 8.010 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.880 15.782 8.386 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.473 16.898 7.062 1.00 0.00 H new ATOM 1038 N ILE A 71 -4.674 12.604 5.748 1.00 0.00 N ATOM 1039 CA ILE A 71 -5.450 11.606 5.022 1.00 0.00 C ATOM 1040 C ILE A 71 -6.940 11.758 5.302 1.00 0.00 C ATOM 1041 O ILE A 71 -7.435 11.308 6.336 1.00 0.00 O ATOM 1042 CB ILE A 71 -4.999 10.182 5.393 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -3.507 10.001 5.098 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -5.823 9.150 4.639 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -3.147 10.182 3.642 1.00 0.00 C ATOM 0 H ILE A 71 -4.744 12.535 6.763 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.274 11.768 3.959 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.159 10.034 6.461 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.939 10.715 5.695 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.201 9.005 5.417 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.491 8.149 4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.876 9.266 4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.694 9.294 3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.074 10.039 3.512 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.687 9.451 3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.420 11.188 3.322 1.00 0.00 H new ATOM 1057 N PRO A 72 -7.650 12.392 4.376 1.00 0.00 N ATOM 1058 CA PRO A 72 -9.089 12.587 4.513 1.00 0.00 C ATOM 1059 C PRO A 72 -9.814 11.255 4.650 1.00 0.00 C ATOM 1060 O PRO A 72 -9.425 10.260 4.038 1.00 0.00 O ATOM 1061 CB PRO A 72 -9.465 13.305 3.214 1.00 0.00 C ATOM 1062 CG PRO A 72 -8.208 13.992 2.799 1.00 0.00 C ATOM 1063 CD PRO A 72 -7.114 13.025 3.167 1.00 0.00 C ATOM 0 HA PRO A 72 -9.366 13.151 5.404 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.804 12.601 2.454 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.275 14.017 3.373 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.206 14.206 1.730 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.087 14.944 3.315 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.930 12.299 2.375 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.169 13.534 3.359 1.00 0.00 H new ATOM 1071 N CYS A 73 -10.871 11.242 5.455 1.00 0.00 N ATOM 1072 CA CYS A 73 -11.706 10.056 5.605 1.00 0.00 C ATOM 1073 C CYS A 73 -12.556 9.821 4.363 1.00 0.00 C ATOM 1074 O CYS A 73 -13.570 10.488 4.157 1.00 0.00 O ATOM 1075 CB CYS A 73 -12.620 10.192 6.823 1.00 0.00 C ATOM 1076 SG CYS A 73 -13.728 8.785 7.076 1.00 0.00 S ATOM 0 H CYS A 73 -11.170 12.041 6.014 1.00 0.00 H new ATOM 0 HA CYS A 73 -11.041 9.203 5.744 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -12.004 10.320 7.713 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -13.218 11.097 6.716 1.00 0.00 H new ATOM 0 HG CYS A 73 -14.459 8.993 8.131 1.00 0.00 H new ATOM 1082 N GLU A 74 -12.137 8.868 3.537 1.00 0.00 N ATOM 1083 CA GLU A 74 -12.867 8.532 2.322 1.00 0.00 C ATOM 1084 C GLU A 74 -13.905 7.448 2.584 1.00 0.00 C ATOM 1085 O GLU A 74 -13.670 6.527 3.367 1.00 0.00 O ATOM 1086 CB GLU A 74 -11.901 8.072 1.228 1.00 0.00 C ATOM 1087 CG GLU A 74 -11.015 9.176 0.667 1.00 0.00 C ATOM 1088 CD GLU A 74 -11.799 10.279 0.011 1.00 0.00 C ATOM 1089 OE1 GLU A 74 -12.581 9.988 -0.862 1.00 0.00 O ATOM 1090 OE2 GLU A 74 -11.617 11.413 0.385 1.00 0.00 O ATOM 0 H GLU A 74 -11.294 8.314 3.688 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.386 9.430 1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.266 7.282 1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.477 7.635 0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.412 9.595 1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.324 8.747 -0.059 1.00 0.00 H new ATOM 1097 N THR A 75 -15.053 7.562 1.925 1.00 0.00 N ATOM 1098 CA THR A 75 -16.110 6.565 2.049 1.00 0.00 C ATOM 1099 C THR A 75 -16.519 6.024 0.685 1.00 0.00 C ATOM 1100 O THR A 75 -17.048 4.917 0.579 1.00 0.00 O ATOM 1101 CB THR A 75 -17.341 7.148 2.764 1.00 0.00 C ATOM 1102 OG1 THR A 75 -17.871 8.239 1.998 1.00 0.00 O ATOM 1103 CG2 THR A 75 -16.966 7.646 4.153 1.00 0.00 C ATOM 0 H THR A 75 -15.275 8.336 1.299 1.00 0.00 H new ATOM 0 HA THR A 75 -15.711 5.745 2.647 1.00 0.00 H new ATOM 0 HB THR A 75 -18.091 6.363 2.860 1.00 0.00 H new ATOM 0 HG1 THR A 75 -18.656 8.608 2.454 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.849 8.055 4.644 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.574 6.818 4.743 1.00 0.00 H new ATOM 0 HG23 THR A 75 -16.206 8.423 4.068 1.00 0.00 H new ATOM 1111 N ASP A 76 -16.272 6.810 -0.356 1.00 0.00 N ATOM 1112 CA ASP A 76 -16.622 6.415 -1.716 1.00 0.00 C ATOM 1113 C ASP A 76 -15.376 6.117 -2.541 1.00 0.00 C ATOM 1114 O ASP A 76 -14.315 6.696 -2.312 1.00 0.00 O ATOM 1115 CB ASP A 76 -17.443 7.511 -2.399 1.00 0.00 C ATOM 1116 CG ASP A 76 -18.805 7.722 -1.751 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -19.497 6.754 -1.539 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -19.141 8.849 -1.476 1.00 0.00 O ATOM 0 H ASP A 76 -15.830 7.726 -0.285 1.00 0.00 H new ATOM 0 HA ASP A 76 -17.220 5.506 -1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -16.884 8.447 -2.372 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -17.582 7.253 -3.449 1.00 0.00 H new ATOM 1123 N ASN A 77 -15.513 5.209 -3.501 1.00 0.00 N ATOM 1124 CA ASN A 77 -16.802 4.596 -3.799 1.00 0.00 C ATOM 1125 C ASN A 77 -16.939 3.241 -3.116 1.00 0.00 C ATOM 1126 O ASN A 77 -18.041 2.819 -2.769 1.00 0.00 O ATOM 1127 CB ASN A 77 -16.994 4.460 -5.298 1.00 0.00 C ATOM 1128 CG ASN A 77 -17.207 5.786 -5.976 1.00 0.00 C ATOM 1129 OD1 ASN A 77 -18.252 6.424 -5.803 1.00 0.00 O ATOM 1130 ND2 ASN A 77 -16.237 6.211 -6.744 1.00 0.00 N ATOM 0 H ASN A 77 -14.745 4.881 -4.087 1.00 0.00 H new ATOM 0 HA ASN A 77 -17.582 5.249 -3.407 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -16.121 3.971 -5.730 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -17.850 3.814 -5.494 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -16.325 7.103 -7.230 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -15.393 5.650 -6.857 1.00 0.00 H new ATOM 1137 N ASN A 78 -15.811 2.564 -2.926 1.00 0.00 N ATOM 1138 CA ASN A 78 -15.807 1.240 -2.315 1.00 0.00 C ATOM 1139 C ASN A 78 -15.488 1.322 -0.828 1.00 0.00 C ATOM 1140 O ASN A 78 -14.769 2.218 -0.385 1.00 0.00 O ATOM 1141 CB ASN A 78 -14.822 0.327 -3.024 1.00 0.00 C ATOM 1142 CG ASN A 78 -15.278 -0.050 -4.406 1.00 0.00 C ATOM 1143 OD1 ASN A 78 -16.479 -0.049 -4.700 1.00 0.00 O ATOM 1144 ND2 ASN A 78 -14.341 -0.373 -5.261 1.00 0.00 N ATOM 0 H ASN A 78 -14.888 2.911 -3.187 1.00 0.00 H new ATOM 0 HA ASN A 78 -16.807 0.818 -2.421 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.853 0.822 -3.087 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.680 -0.577 -2.433 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -14.590 -0.638 -6.214 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -13.362 -0.360 -4.974 1.00 0.00 H new ATOM 1151 N PRO A 79 -16.026 0.380 -0.060 1.00 0.00 N ATOM 1152 CA PRO A 79 -15.829 0.364 1.384 1.00 0.00 C ATOM 1153 C PRO A 79 -14.446 -0.165 1.746 1.00 0.00 C ATOM 1154 O PRO A 79 -13.689 -0.596 0.876 1.00 0.00 O ATOM 1155 CB PRO A 79 -16.938 -0.573 1.874 1.00 0.00 C ATOM 1156 CG PRO A 79 -17.127 -1.533 0.749 1.00 0.00 C ATOM 1157 CD PRO A 79 -16.964 -0.694 -0.490 1.00 0.00 C ATOM 0 HA PRO A 79 -15.880 1.354 1.837 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.650 -1.086 2.792 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.856 -0.026 2.090 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -16.391 -2.337 0.784 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -18.111 -2.000 0.786 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -16.557 -1.275 -1.318 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -17.917 -0.284 -0.826 1.00 0.00 H new ATOM 1165 N HIS A 80 -14.123 -0.129 3.034 1.00 0.00 N ATOM 1166 CA HIS A 80 -12.802 -0.526 3.504 1.00 0.00 C ATOM 1167 C HIS A 80 -12.848 -1.880 4.202 1.00 0.00 C ATOM 1168 O HIS A 80 -13.794 -2.181 4.930 1.00 0.00 O ATOM 1169 CB HIS A 80 -12.226 0.526 4.457 1.00 0.00 C ATOM 1170 CG HIS A 80 -12.135 1.894 3.857 1.00 0.00 C ATOM 1171 ND1 HIS A 80 -11.099 2.276 3.031 1.00 0.00 N ATOM 1172 CD2 HIS A 80 -12.948 2.972 3.964 1.00 0.00 C ATOM 1173 CE1 HIS A 80 -11.280 3.531 2.654 1.00 0.00 C ATOM 1174 NE2 HIS A 80 -12.394 3.975 3.207 1.00 0.00 N ATOM 0 H HIS A 80 -14.760 0.172 3.772 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.155 -0.608 2.630 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.847 0.572 5.352 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -11.232 0.211 4.774 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -13.861 3.032 4.537 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.628 4.096 2.005 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.781 4.912 3.091 1.00 0.00 H new ATOM 1181 N ARG A 81 -11.822 -2.693 3.975 1.00 0.00 N ATOM 1182 CA ARG A 81 -11.782 -4.045 4.517 1.00 0.00 C ATOM 1183 C ARG A 81 -10.385 -4.402 5.006 1.00 0.00 C ATOM 1184 O ARG A 81 -9.531 -4.820 4.224 1.00 0.00 O ATOM 1185 CB ARG A 81 -12.221 -5.055 3.467 1.00 0.00 C ATOM 1186 CG ARG A 81 -13.679 -4.949 3.046 1.00 0.00 C ATOM 1187 CD ARG A 81 -14.595 -5.409 4.121 1.00 0.00 C ATOM 1188 NE ARG A 81 -15.985 -5.395 3.692 1.00 0.00 N ATOM 1189 CZ ARG A 81 -16.805 -4.331 3.790 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -16.362 -3.205 4.303 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -18.055 -4.420 3.371 1.00 0.00 N ATOM 0 H ARG A 81 -11.006 -2.438 3.418 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.469 -4.079 5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -11.593 -4.935 2.584 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.041 -6.059 3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -13.909 -3.915 2.789 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.843 -5.545 2.148 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.319 -6.419 4.426 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.479 -4.769 4.996 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.365 -6.251 3.289 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.397 -3.137 4.627 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.983 -2.399 4.377 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.399 -5.294 2.974 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -18.676 -3.614 3.445 1.00 0.00 H new ATOM 1205 N HIS A 82 -10.157 -4.235 6.304 1.00 0.00 N ATOM 1206 CA HIS A 82 -8.882 -4.595 6.911 1.00 0.00 C ATOM 1207 C HIS A 82 -8.738 -6.106 7.035 1.00 0.00 C ATOM 1208 O HIS A 82 -8.798 -6.657 8.134 1.00 0.00 O ATOM 1209 CB HIS A 82 -8.738 -3.948 8.293 1.00 0.00 C ATOM 1210 CG HIS A 82 -8.426 -2.485 8.243 1.00 0.00 C ATOM 1211 ND1 HIS A 82 -9.392 -1.526 8.020 1.00 0.00 N ATOM 1212 CD2 HIS A 82 -7.257 -1.816 8.384 1.00 0.00 C ATOM 1213 CE1 HIS A 82 -8.830 -0.329 8.029 1.00 0.00 C ATOM 1214 NE2 HIS A 82 -7.536 -0.479 8.247 1.00 0.00 N ATOM 0 H HIS A 82 -10.841 -3.852 6.957 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.092 -4.223 6.259 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -9.663 -4.094 8.851 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.949 -4.460 8.844 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -10.384 -1.711 7.871 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.287 -2.253 8.570 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.342 0.611 7.883 1.00 0.00 H new ATOM 1221 N VAL A 83 -8.547 -6.772 5.901 1.00 0.00 N ATOM 1222 CA VAL A 83 -8.338 -8.215 5.886 1.00 0.00 C ATOM 1223 C VAL A 83 -6.884 -8.557 5.589 1.00 0.00 C ATOM 1224 O VAL A 83 -6.030 -7.674 5.515 1.00 0.00 O ATOM 1225 CB VAL A 83 -9.244 -8.875 4.828 1.00 0.00 C ATOM 1226 CG1 VAL A 83 -10.709 -8.622 5.150 1.00 0.00 C ATOM 1227 CG2 VAL A 83 -8.896 -8.345 3.446 1.00 0.00 C ATOM 0 H VAL A 83 -8.533 -6.335 4.980 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.592 -8.597 6.875 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.077 -9.952 4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.335 -9.095 4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -10.944 -9.041 6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.899 -7.549 5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.540 -8.816 2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.044 -7.265 3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.854 -8.574 3.220 1.00 0.00 H new ATOM 1237 N THR A 84 -6.607 -9.847 5.421 1.00 0.00 N ATOM 1238 CA THR A 84 -5.254 -10.310 5.138 1.00 0.00 C ATOM 1239 C THR A 84 -4.665 -9.585 3.935 1.00 0.00 C ATOM 1240 O THR A 84 -5.175 -9.696 2.820 1.00 0.00 O ATOM 1241 CB THR A 84 -5.229 -11.829 4.890 1.00 0.00 C ATOM 1242 OG1 THR A 84 -5.675 -12.515 6.067 1.00 0.00 O ATOM 1243 CG2 THR A 84 -3.821 -12.290 4.542 1.00 0.00 C ATOM 0 H THR A 84 -7.303 -10.590 5.476 1.00 0.00 H new ATOM 0 HA THR A 84 -4.646 -10.086 6.014 1.00 0.00 H new ATOM 0 HB THR A 84 -5.892 -12.057 4.055 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.003 -12.423 6.774 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.823 -13.366 4.370 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.483 -11.779 3.640 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.147 -12.055 5.366 1.00 0.00 H new ATOM 1251 N GLY A 85 -3.587 -8.843 4.167 1.00 0.00 N ATOM 1252 CA GLY A 85 -2.880 -8.160 3.089 1.00 0.00 C ATOM 1253 C GLY A 85 -3.246 -6.683 3.041 1.00 0.00 C ATOM 1254 O GLY A 85 -2.491 -5.863 2.517 1.00 0.00 O ATOM 0 H GLY A 85 -3.183 -8.699 5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.805 -8.267 3.231 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.124 -8.629 2.136 1.00 0.00 H new ATOM 1258 N ALA A 86 -4.409 -6.348 3.591 1.00 0.00 N ATOM 1259 CA ALA A 86 -4.974 -5.012 3.434 1.00 0.00 C ATOM 1260 C ALA A 86 -4.011 -3.944 3.934 1.00 0.00 C ATOM 1261 O ALA A 86 -3.359 -4.115 4.964 1.00 0.00 O ATOM 1262 CB ALA A 86 -6.304 -4.911 4.166 1.00 0.00 C ATOM 0 H ALA A 86 -4.979 -6.983 4.150 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.143 -4.841 2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.713 -3.909 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.001 -5.642 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.151 -5.110 5.227 1.00 0.00 H new ATOM 1268 N MET A 87 -3.925 -2.840 3.199 1.00 0.00 N ATOM 1269 CA MET A 87 -3.070 -1.726 3.587 1.00 0.00 C ATOM 1270 C MET A 87 -3.870 -0.435 3.710 1.00 0.00 C ATOM 1271 O MET A 87 -4.631 -0.076 2.811 1.00 0.00 O ATOM 1272 CB MET A 87 -1.935 -1.555 2.579 1.00 0.00 C ATOM 1273 CG MET A 87 -0.940 -2.706 2.551 1.00 0.00 C ATOM 1274 SD MET A 87 0.424 -2.417 1.407 1.00 0.00 S ATOM 1275 CE MET A 87 1.283 -1.082 2.235 1.00 0.00 C ATOM 0 H MET A 87 -4.438 -2.694 2.330 1.00 0.00 H new ATOM 0 HA MET A 87 -2.643 -1.951 4.565 1.00 0.00 H new ATOM 0 HB2 MET A 87 -2.364 -1.437 1.584 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.399 -0.633 2.806 1.00 0.00 H new ATOM 0 HG2 MET A 87 -0.542 -2.861 3.554 1.00 0.00 H new ATOM 0 HG3 MET A 87 -1.458 -3.622 2.268 1.00 0.00 H new ATOM 0 HE1 MET A 87 2.355 -1.280 2.230 1.00 0.00 H new ATOM 0 HE2 MET A 87 1.085 -0.144 1.716 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.933 -1.007 3.265 1.00 0.00 H new ATOM 1285 N SER A 88 -3.694 0.259 4.830 1.00 0.00 N ATOM 1286 CA SER A 88 -4.447 1.478 5.103 1.00 0.00 C ATOM 1287 C SER A 88 -3.548 2.566 5.673 1.00 0.00 C ATOM 1288 O SER A 88 -2.430 2.294 6.112 1.00 0.00 O ATOM 1289 CB SER A 88 -5.579 1.185 6.069 1.00 0.00 C ATOM 1290 OG SER A 88 -5.083 0.766 7.311 1.00 0.00 O ATOM 0 H SER A 88 -3.036 -0.002 5.564 1.00 0.00 H new ATOM 0 HA SER A 88 -4.859 1.837 4.160 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.190 2.078 6.200 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.227 0.413 5.653 1.00 0.00 H new ATOM 0 HG SER A 88 -5.790 0.303 7.806 1.00 0.00 H new ATOM 1296 N MET A 89 -4.041 3.799 5.663 1.00 0.00 N ATOM 1297 CA MET A 89 -3.303 4.925 6.225 1.00 0.00 C ATOM 1298 C MET A 89 -4.017 5.502 7.440 1.00 0.00 C ATOM 1299 O MET A 89 -5.247 5.547 7.485 1.00 0.00 O ATOM 1300 CB MET A 89 -3.100 6.005 5.163 1.00 0.00 C ATOM 1301 CG MET A 89 -2.160 5.608 4.033 1.00 0.00 C ATOM 1302 SD MET A 89 -1.589 7.025 3.074 1.00 0.00 S ATOM 1303 CE MET A 89 -0.476 7.799 4.245 1.00 0.00 C ATOM 0 H MET A 89 -4.950 4.045 5.271 1.00 0.00 H new ATOM 0 HA MET A 89 -2.329 4.562 6.552 1.00 0.00 H new ATOM 0 HB2 MET A 89 -4.069 6.266 4.738 1.00 0.00 H new ATOM 0 HB3 MET A 89 -2.711 6.902 5.645 1.00 0.00 H new ATOM 0 HG2 MET A 89 -1.299 5.085 4.449 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.669 4.908 3.371 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.289 8.357 3.705 1.00 0.00 H new ATOM 0 HE2 MET A 89 -1.037 8.479 4.886 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.001 7.032 4.857 1.00 0.00 H new ATOM 1313 N ALA A 90 -3.240 5.941 8.424 1.00 0.00 N ATOM 1314 CA ALA A 90 -3.797 6.465 9.664 1.00 0.00 C ATOM 1315 C ALA A 90 -4.454 7.821 9.443 1.00 0.00 C ATOM 1316 O ALA A 90 -3.895 8.691 8.775 1.00 0.00 O ATOM 1317 CB ALA A 90 -2.715 6.569 10.729 1.00 0.00 C ATOM 0 H ALA A 90 -2.221 5.944 8.386 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.564 5.771 10.007 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.147 6.962 11.649 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.295 5.581 10.918 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.927 7.238 10.383 1.00 0.00 H new ATOM 1323 N HIS A 91 -5.644 7.996 10.009 1.00 0.00 N ATOM 1324 CA HIS A 91 -6.371 9.254 9.890 1.00 0.00 C ATOM 1325 C HIS A 91 -7.245 9.503 11.112 1.00 0.00 C ATOM 1326 O HIS A 91 -7.486 8.597 11.911 1.00 0.00 O ATOM 1327 CB HIS A 91 -7.239 9.260 8.626 1.00 0.00 C ATOM 1328 CG HIS A 91 -8.438 8.369 8.715 1.00 0.00 C ATOM 1329 ND1 HIS A 91 -9.517 8.487 7.864 1.00 0.00 N ATOM 1330 CD2 HIS A 91 -8.728 7.346 9.553 1.00 0.00 C ATOM 1331 CE1 HIS A 91 -10.420 7.572 8.175 1.00 0.00 C ATOM 1332 NE2 HIS A 91 -9.966 6.869 9.196 1.00 0.00 N ATOM 0 H HIS A 91 -6.125 7.281 10.555 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.634 10.054 9.821 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.569 10.280 8.428 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -6.630 8.951 7.776 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.103 6.975 10.352 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.368 7.425 7.678 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -10.455 6.096 9.647 1.00 0.00 H new ATOM 1339 N ARG A 92 -7.717 10.736 11.255 1.00 0.00 N ATOM 1340 CA ARG A 92 -8.571 11.106 12.377 1.00 0.00 C ATOM 1341 C ARG A 92 -9.712 12.010 11.927 1.00 0.00 C ATOM 1342 O ARG A 92 -10.216 12.821 12.704 1.00 0.00 O ATOM 1343 CB ARG A 92 -7.763 11.812 13.455 1.00 0.00 C ATOM 1344 CG ARG A 92 -6.695 10.957 14.117 1.00 0.00 C ATOM 1345 CD ARG A 92 -7.289 9.895 14.968 1.00 0.00 C ATOM 1346 NE ARG A 92 -6.277 9.175 15.723 1.00 0.00 N ATOM 1347 CZ ARG A 92 -5.562 8.136 15.248 1.00 0.00 C ATOM 1348 NH1 ARG A 92 -5.760 7.709 14.020 1.00 0.00 N ATOM 1349 NH2 ARG A 92 -4.663 7.546 16.016 1.00 0.00 N ATOM 0 H ARG A 92 -7.522 11.498 10.606 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.992 10.187 12.784 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.286 12.688 13.016 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.447 12.173 14.223 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -6.068 10.501 13.351 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.047 11.590 14.724 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.007 10.341 15.657 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.841 9.194 14.342 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.095 9.477 16.680 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -6.454 8.164 13.428 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.219 6.923 13.660 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.510 7.877 16.969 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -4.122 6.760 15.656 1.00 0.00 H new ATOM 1363 N GLY A 93 -10.114 11.865 10.669 1.00 0.00 N ATOM 1364 CA GLY A 93 -11.237 12.623 10.133 1.00 0.00 C ATOM 1365 C GLY A 93 -10.894 13.232 8.778 1.00 0.00 C ATOM 1366 O GLY A 93 -9.852 12.929 8.198 1.00 0.00 O ATOM 0 H GLY A 93 -9.678 11.229 10.002 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.105 11.971 10.032 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.512 13.414 10.831 1.00 0.00 H new ATOM 1370 N ARG A 94 -11.778 14.090 8.281 1.00 0.00 N ATOM 1371 CA ARG A 94 -11.577 14.731 6.986 1.00 0.00 C ATOM 1372 C ARG A 94 -10.371 15.661 7.014 1.00 0.00 C ATOM 1373 O ARG A 94 -10.204 16.450 7.943 1.00 0.00 O ATOM 1374 CB ARG A 94 -12.813 15.522 6.583 1.00 0.00 C ATOM 1375 CG ARG A 94 -14.022 14.674 6.217 1.00 0.00 C ATOM 1376 CD ARG A 94 -13.750 13.806 5.043 1.00 0.00 C ATOM 1377 NE ARG A 94 -13.474 14.584 3.847 1.00 0.00 N ATOM 1378 CZ ARG A 94 -13.089 14.061 2.666 1.00 0.00 C ATOM 1379 NH1 ARG A 94 -12.940 12.760 2.541 1.00 0.00 N ATOM 1380 NH2 ARG A 94 -12.862 14.854 1.633 1.00 0.00 N ATOM 0 H ARG A 94 -12.641 14.358 8.755 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.397 13.943 6.255 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.087 16.185 7.404 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.560 16.156 5.733 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.304 14.056 7.069 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -14.870 15.324 6.000 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.900 13.159 5.259 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -14.608 13.157 4.864 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.579 15.597 3.905 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -13.116 12.148 3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.649 12.364 1.647 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.978 15.863 1.729 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.571 14.457 0.740 1.00 0.00 H new ATOM 1394 N ASP A 95 -9.532 15.563 5.989 1.00 0.00 N ATOM 1395 CA ASP A 95 -8.338 16.395 5.894 1.00 0.00 C ATOM 1396 C ASP A 95 -7.493 16.292 7.157 1.00 0.00 C ATOM 1397 O ASP A 95 -6.803 17.241 7.533 1.00 0.00 O ATOM 1398 CB ASP A 95 -8.721 17.856 5.645 1.00 0.00 C ATOM 1399 CG ASP A 95 -9.417 18.067 4.307 1.00 0.00 C ATOM 1400 OD1 ASP A 95 -8.896 17.623 3.312 1.00 0.00 O ATOM 1401 OD2 ASP A 95 -10.463 18.670 4.294 1.00 0.00 O ATOM 0 H ASP A 95 -9.657 14.915 5.211 1.00 0.00 H new ATOM 0 HA ASP A 95 -7.747 16.032 5.053 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -9.376 18.196 6.447 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.823 18.473 5.683 1.00 0.00 H new ATOM 1406 N THR A 96 -7.550 15.136 7.809 1.00 0.00 N ATOM 1407 CA THR A 96 -6.828 14.924 9.057 1.00 0.00 C ATOM 1408 C THR A 96 -6.265 13.511 9.135 1.00 0.00 C ATOM 1409 O THR A 96 -7.010 12.532 9.093 1.00 0.00 O ATOM 1410 CB THR A 96 -7.735 15.187 10.273 1.00 0.00 C ATOM 1411 OG1 THR A 96 -8.287 16.507 10.185 1.00 0.00 O ATOM 1412 CG2 THR A 96 -6.945 15.057 11.567 1.00 0.00 C ATOM 0 H THR A 96 -8.090 14.330 7.493 1.00 0.00 H new ATOM 0 HA THR A 96 -6.000 15.632 9.075 1.00 0.00 H new ATOM 0 HB THR A 96 -8.538 14.449 10.274 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.934 16.543 9.449 1.00 0.00 H new ATOM 0 HG21 THR A 96 -7.603 15.246 12.415 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.535 14.050 11.643 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.131 15.782 11.570 1.00 0.00 H new ATOM 1420 N GLY A 97 -4.945 13.411 9.249 1.00 0.00 N ATOM 1421 CA GLY A 97 -4.280 12.117 9.345 1.00 0.00 C ATOM 1422 C GLY A 97 -2.764 12.271 9.304 1.00 0.00 C ATOM 1423 O GLY A 97 -2.235 13.358 9.540 1.00 0.00 O ATOM 0 H GLY A 97 -4.314 14.212 9.277 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.573 11.623 10.271 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.605 11.476 8.525 1.00 0.00 H new ATOM 1427 N SER A 98 -2.071 11.179 9.003 1.00 0.00 N ATOM 1428 CA SER A 98 -0.613 11.178 8.983 1.00 0.00 C ATOM 1429 C SER A 98 -0.079 10.318 7.845 1.00 0.00 C ATOM 1430 O SER A 98 -0.848 9.731 7.083 1.00 0.00 O ATOM 1431 CB SER A 98 -0.075 10.674 10.307 1.00 0.00 C ATOM 1432 OG SER A 98 -0.217 9.284 10.411 1.00 0.00 O ATOM 0 H SER A 98 -2.496 10.282 8.769 1.00 0.00 H new ATOM 0 HA SER A 98 -0.277 12.202 8.823 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.977 10.944 10.402 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.604 11.159 11.127 1.00 0.00 H new ATOM 0 HG SER A 98 0.139 8.982 11.273 1.00 0.00 H new ATOM 1438 N CYS A 99 1.244 10.245 7.736 1.00 0.00 N ATOM 1439 CA CYS A 99 1.884 9.442 6.703 1.00 0.00 C ATOM 1440 C CYS A 99 1.994 7.983 7.128 1.00 0.00 C ATOM 1441 O CYS A 99 2.340 7.117 6.325 1.00 0.00 O ATOM 1442 CB CYS A 99 3.279 9.982 6.387 1.00 0.00 C ATOM 1443 SG CYS A 99 4.453 9.837 7.756 1.00 0.00 S ATOM 0 H CYS A 99 1.894 10.734 8.352 1.00 0.00 H new ATOM 0 HA CYS A 99 1.261 9.503 5.810 1.00 0.00 H new ATOM 0 HB2 CYS A 99 3.676 9.449 5.523 1.00 0.00 H new ATOM 0 HB3 CYS A 99 3.195 11.031 6.103 1.00 0.00 H new ATOM 0 HG CYS A 99 5.639 9.589 7.286 1.00 0.00 H new ATOM 1449 N GLN A 100 1.697 7.717 8.396 1.00 0.00 N ATOM 1450 CA GLN A 100 1.780 6.366 8.935 1.00 0.00 C ATOM 1451 C GLN A 100 0.726 5.459 8.310 1.00 0.00 C ATOM 1452 O GLN A 100 -0.367 5.907 7.967 1.00 0.00 O ATOM 1453 CB GLN A 100 1.615 6.385 10.457 1.00 0.00 C ATOM 1454 CG GLN A 100 2.780 7.016 11.200 1.00 0.00 C ATOM 1455 CD GLN A 100 2.608 6.953 12.707 1.00 0.00 C ATOM 1456 OE1 GLN A 100 1.686 6.308 13.213 1.00 0.00 O ATOM 1457 NE2 GLN A 100 3.498 7.623 13.431 1.00 0.00 N ATOM 0 H GLN A 100 1.396 8.421 9.070 1.00 0.00 H new ATOM 0 HA GLN A 100 2.765 5.969 8.689 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.703 6.927 10.706 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.484 5.362 10.810 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.703 6.508 10.921 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.883 8.057 10.892 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.244 8.143 12.969 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.435 7.618 14.449 1.00 0.00 H new ATOM 1466 N PHE A 101 1.065 4.182 8.164 1.00 0.00 N ATOM 1467 CA PHE A 101 0.210 3.240 7.452 1.00 0.00 C ATOM 1468 C PHE A 101 0.249 1.862 8.100 1.00 0.00 C ATOM 1469 O PHE A 101 1.071 1.602 8.979 1.00 0.00 O ATOM 1470 CB PHE A 101 0.638 3.132 5.988 1.00 0.00 C ATOM 1471 CG PHE A 101 2.013 2.559 5.798 1.00 0.00 C ATOM 1472 CD1 PHE A 101 3.136 3.369 5.884 1.00 0.00 C ATOM 1473 CD2 PHE A 101 2.187 1.209 5.535 1.00 0.00 C ATOM 1474 CE1 PHE A 101 4.402 2.844 5.709 1.00 0.00 C ATOM 1475 CE2 PHE A 101 3.453 0.681 5.361 1.00 0.00 C ATOM 1476 CZ PHE A 101 4.560 1.498 5.447 1.00 0.00 C ATOM 0 H PHE A 101 1.926 3.776 8.530 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.812 3.617 7.502 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.081 2.511 5.454 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.602 4.123 5.535 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.019 4.423 6.090 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.324 0.563 5.465 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.267 3.486 5.777 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.575 -0.373 5.157 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.549 1.086 5.310 1.00 0.00 H new ATOM 1486 N PHE A 102 -0.645 0.982 7.662 1.00 0.00 N ATOM 1487 CA PHE A 102 -0.801 -0.327 8.285 1.00 0.00 C ATOM 1488 C PHE A 102 -0.706 -1.444 7.252 1.00 0.00 C ATOM 1489 O PHE A 102 -1.163 -1.294 6.120 1.00 0.00 O ATOM 1490 CB PHE A 102 -2.141 -0.414 9.017 1.00 0.00 C ATOM 1491 CG PHE A 102 -2.316 0.626 10.087 1.00 0.00 C ATOM 1492 CD1 PHE A 102 -2.809 1.885 9.777 1.00 0.00 C ATOM 1493 CD2 PHE A 102 -1.987 0.348 11.405 1.00 0.00 C ATOM 1494 CE1 PHE A 102 -2.969 2.842 10.761 1.00 0.00 C ATOM 1495 CE2 PHE A 102 -2.148 1.302 12.390 1.00 0.00 C ATOM 1496 CZ PHE A 102 -2.640 2.551 12.067 1.00 0.00 C ATOM 0 H PHE A 102 -1.273 1.152 6.877 1.00 0.00 H new ATOM 0 HA PHE A 102 0.010 -0.451 9.003 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.948 -0.314 8.291 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -2.236 -1.403 9.466 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.071 2.120 8.756 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.600 -0.626 11.664 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.352 3.819 10.506 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.889 1.071 13.413 1.00 0.00 H new ATOM 0 HZ PHE A 102 -2.767 3.298 12.836 1.00 0.00 H new ATOM 1506 N ILE A 103 -0.111 -2.563 7.652 1.00 0.00 N ATOM 1507 CA ILE A 103 -0.184 -3.790 6.867 1.00 0.00 C ATOM 1508 C ILE A 103 -0.852 -4.908 7.657 1.00 0.00 C ATOM 1509 O ILE A 103 -0.295 -5.412 8.631 1.00 0.00 O ATOM 1510 CB ILE A 103 1.219 -4.242 6.423 1.00 0.00 C ATOM 1511 CG1 ILE A 103 1.891 -3.149 5.588 1.00 0.00 C ATOM 1512 CG2 ILE A 103 1.135 -5.541 5.638 1.00 0.00 C ATOM 1513 CD1 ILE A 103 3.322 -3.462 5.212 1.00 0.00 C ATOM 0 H ILE A 103 0.427 -2.646 8.515 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.785 -3.576 5.983 1.00 0.00 H new ATOM 0 HB ILE A 103 1.825 -4.418 7.312 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.312 -2.992 4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.868 -2.213 6.146 1.00 0.00 H new ATOM 0 HG21 ILE A 103 2.136 -5.846 5.332 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.695 -6.317 6.264 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.515 -5.393 4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.731 -2.642 4.622 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.916 -3.589 6.117 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.352 -4.381 4.626 1.00 0.00 H new ATOM 1525 N VAL A 104 -2.050 -5.293 7.230 1.00 0.00 N ATOM 1526 CA VAL A 104 -2.883 -6.206 8.004 1.00 0.00 C ATOM 1527 C VAL A 104 -2.555 -7.658 7.681 1.00 0.00 C ATOM 1528 O VAL A 104 -2.320 -8.009 6.524 1.00 0.00 O ATOM 1529 CB VAL A 104 -4.374 -5.944 7.718 1.00 0.00 C ATOM 1530 CG1 VAL A 104 -5.244 -6.939 8.471 1.00 0.00 C ATOM 1531 CG2 VAL A 104 -4.730 -4.516 8.101 1.00 0.00 C ATOM 0 H VAL A 104 -2.466 -4.986 6.351 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.677 -6.027 9.059 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.559 -6.075 6.652 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -6.294 -6.739 8.257 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.996 -7.952 8.154 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.067 -6.840 9.542 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -5.786 -4.337 7.896 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.535 -4.365 9.163 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.125 -3.821 7.519 1.00 0.00 H new ATOM 1541 N HIS A 105 -2.539 -8.499 8.709 1.00 0.00 N ATOM 1542 CA HIS A 105 -2.198 -9.907 8.543 1.00 0.00 C ATOM 1543 C HIS A 105 -3.445 -10.781 8.559 1.00 0.00 C ATOM 1544 O HIS A 105 -3.557 -11.735 7.790 1.00 0.00 O ATOM 1545 CB HIS A 105 -1.231 -10.363 9.640 1.00 0.00 C ATOM 1546 CG HIS A 105 0.076 -9.634 9.632 1.00 0.00 C ATOM 1547 ND1 HIS A 105 0.272 -8.452 10.315 1.00 0.00 N ATOM 1548 CD2 HIS A 105 1.252 -9.916 9.024 1.00 0.00 C ATOM 1549 CE1 HIS A 105 1.514 -8.040 10.128 1.00 0.00 C ATOM 1550 NE2 HIS A 105 2.128 -8.910 9.348 1.00 0.00 N ATOM 0 H HIS A 105 -2.759 -8.229 9.668 1.00 0.00 H new ATOM 0 HA HIS A 105 -1.712 -10.015 7.573 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -1.707 -10.227 10.611 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -1.042 -11.430 9.525 1.00 0.00 H new ATOM 0 HD2 HIS A 105 1.462 -10.772 8.400 1.00 0.00 H new ATOM 0 HE1 HIS A 105 1.952 -7.144 10.543 1.00 0.00 H new ATOM 0 HE2 HIS A 105 3.097 -8.845 9.036 1.00 0.00 H new ATOM 1557 N GLU A 106 -4.380 -10.452 9.443 1.00 0.00 N ATOM 1558 CA GLU A 106 -5.620 -11.210 9.567 1.00 0.00 C ATOM 1559 C GLU A 106 -6.832 -10.288 9.572 1.00 0.00 C ATOM 1560 O GLU A 106 -6.718 -9.099 9.870 1.00 0.00 O ATOM 1561 CB GLU A 106 -5.603 -12.055 10.843 1.00 0.00 C ATOM 1562 CG GLU A 106 -4.562 -13.165 10.848 1.00 0.00 C ATOM 1563 CD GLU A 106 -4.628 -14.023 12.081 1.00 0.00 C ATOM 1564 OE1 GLU A 106 -5.454 -13.760 12.921 1.00 0.00 O ATOM 1565 OE2 GLU A 106 -3.850 -14.942 12.183 1.00 0.00 O ATOM 0 H GLU A 106 -4.303 -9.664 10.086 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.695 -11.869 8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.422 -11.400 11.695 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.589 -12.498 10.984 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.702 -13.792 9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.568 -12.724 10.771 1.00 0.00 H new ATOM 1572 N PRO A 107 -7.993 -10.844 9.242 1.00 0.00 N ATOM 1573 CA PRO A 107 -9.240 -10.088 9.274 1.00 0.00 C ATOM 1574 C PRO A 107 -9.405 -9.355 10.599 1.00 0.00 C ATOM 1575 O PRO A 107 -9.453 -9.975 11.661 1.00 0.00 O ATOM 1576 CB PRO A 107 -10.305 -11.175 9.094 1.00 0.00 C ATOM 1577 CG PRO A 107 -9.628 -12.218 8.273 1.00 0.00 C ATOM 1578 CD PRO A 107 -8.216 -12.246 8.793 1.00 0.00 C ATOM 0 HA PRO A 107 -9.294 -9.310 8.513 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -10.633 -11.574 10.054 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.191 -10.786 8.592 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.112 -13.188 8.385 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -9.656 -11.969 7.212 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.103 -12.955 9.613 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -7.507 -12.539 8.019 1.00 0.00 H new ATOM 1586 N GLN A 108 -9.492 -8.030 10.529 1.00 0.00 N ATOM 1587 CA GLN A 108 -9.700 -7.212 11.718 1.00 0.00 C ATOM 1588 C GLN A 108 -10.971 -6.382 11.600 1.00 0.00 C ATOM 1589 O GLN A 108 -10.941 -5.247 11.126 1.00 0.00 O ATOM 1590 CB GLN A 108 -8.497 -6.295 11.955 1.00 0.00 C ATOM 1591 CG GLN A 108 -7.235 -7.023 12.385 1.00 0.00 C ATOM 1592 CD GLN A 108 -7.383 -7.686 13.742 1.00 0.00 C ATOM 1593 OE1 GLN A 108 -7.890 -7.081 14.691 1.00 0.00 O ATOM 1594 NE2 GLN A 108 -6.941 -8.934 13.841 1.00 0.00 N ATOM 0 H GLN A 108 -9.422 -7.500 9.660 1.00 0.00 H new ATOM 0 HA GLN A 108 -9.808 -7.884 12.569 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -8.290 -5.742 11.039 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -8.758 -5.562 12.718 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -6.983 -7.778 11.640 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -6.405 -6.317 12.417 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -6.529 -9.395 13.030 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -7.014 -9.432 14.728 1.00 0.00 H new ATOM 1603 N PRO A 109 -12.089 -6.955 12.036 1.00 0.00 N ATOM 1604 CA PRO A 109 -13.365 -6.251 12.022 1.00 0.00 C ATOM 1605 C PRO A 109 -13.348 -5.057 12.967 1.00 0.00 C ATOM 1606 O PRO A 109 -14.158 -4.139 12.840 1.00 0.00 O ATOM 1607 CB PRO A 109 -14.356 -7.324 12.487 1.00 0.00 C ATOM 1608 CG PRO A 109 -13.523 -8.266 13.288 1.00 0.00 C ATOM 1609 CD PRO A 109 -12.210 -8.323 12.555 1.00 0.00 C ATOM 0 HA PRO A 109 -13.616 -5.834 11.047 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -15.158 -6.893 13.086 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -14.825 -7.827 11.641 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -13.392 -7.910 14.310 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -13.986 -9.251 13.350 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.384 -8.582 13.217 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -12.221 -9.063 11.755 1.00 0.00 H new ATOM 1617 N HIS A 110 -12.418 -5.074 13.916 1.00 0.00 N ATOM 1618 CA HIS A 110 -12.274 -3.978 14.868 1.00 0.00 C ATOM 1619 C HIS A 110 -11.625 -2.764 14.215 1.00 0.00 C ATOM 1620 O HIS A 110 -11.647 -1.664 14.767 1.00 0.00 O ATOM 1621 CB HIS A 110 -11.445 -4.418 16.078 1.00 0.00 C ATOM 1622 CG HIS A 110 -12.090 -5.501 16.887 1.00 0.00 C ATOM 1623 ND1 HIS A 110 -13.193 -5.276 17.685 1.00 0.00 N ATOM 1624 CD2 HIS A 110 -11.788 -6.813 17.022 1.00 0.00 C ATOM 1625 CE1 HIS A 110 -13.541 -6.406 18.275 1.00 0.00 C ATOM 1626 NE2 HIS A 110 -12.705 -7.353 17.891 1.00 0.00 N ATOM 0 H HIS A 110 -11.752 -5.835 14.047 1.00 0.00 H new ATOM 0 HA HIS A 110 -13.273 -3.700 15.203 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -10.471 -4.765 15.733 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -11.267 -3.555 16.719 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -10.978 -7.338 16.537 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -14.369 -6.533 18.956 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -12.735 -8.327 18.191 1.00 0.00 H new ATOM 1633 N LEU A 111 -11.046 -2.970 13.037 1.00 0.00 N ATOM 1634 CA LEU A 111 -10.443 -1.881 12.278 1.00 0.00 C ATOM 1635 C LEU A 111 -11.302 -1.504 11.078 1.00 0.00 C ATOM 1636 O LEU A 111 -10.950 -0.611 10.307 1.00 0.00 O ATOM 1637 CB LEU A 111 -9.039 -2.278 11.805 1.00 0.00 C ATOM 1638 CG LEU A 111 -8.017 -2.558 12.915 1.00 0.00 C ATOM 1639 CD1 LEU A 111 -6.707 -3.025 12.293 1.00 0.00 C ATOM 1640 CD2 LEU A 111 -7.812 -1.300 13.744 1.00 0.00 C ATOM 0 H LEU A 111 -10.982 -3.883 12.587 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.372 -1.015 12.936 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.124 -3.168 11.182 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.650 -1.481 11.171 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.385 -3.346 13.572 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.981 -3.224 13.081 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.880 -3.936 11.721 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.321 -2.249 11.632 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.086 -1.498 14.533 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.443 -0.499 13.104 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -8.760 -1.000 14.190 1.00 0.00 H new ATOM 1652 N ASP A 112 -12.430 -2.189 10.926 1.00 0.00 N ATOM 1653 CA ASP A 112 -13.290 -2.000 9.764 1.00 0.00 C ATOM 1654 C ASP A 112 -13.892 -0.600 9.745 1.00 0.00 C ATOM 1655 O ASP A 112 -14.869 -0.326 10.442 1.00 0.00 O ATOM 1656 CB ASP A 112 -14.409 -3.044 9.750 1.00 0.00 C ATOM 1657 CG ASP A 112 -15.294 -2.947 8.514 1.00 0.00 C ATOM 1658 OD1 ASP A 112 -15.135 -2.012 7.766 1.00 0.00 O ATOM 1659 OD2 ASP A 112 -16.120 -3.808 8.330 1.00 0.00 O ATOM 0 H ASP A 112 -12.770 -2.881 11.594 1.00 0.00 H new ATOM 0 HA ASP A 112 -12.674 -2.123 8.873 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -13.970 -4.041 9.799 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -15.024 -2.922 10.642 1.00 0.00 H new ATOM 1664 N GLY A 113 -13.304 0.280 8.943 1.00 0.00 N ATOM 1665 CA GLY A 113 -13.800 1.645 8.810 1.00 0.00 C ATOM 1666 C GLY A 113 -13.038 2.600 9.719 1.00 0.00 C ATOM 1667 O GLY A 113 -13.253 3.811 9.681 1.00 0.00 O ATOM 0 H GLY A 113 -12.483 0.073 8.375 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.703 1.970 7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -14.862 1.674 9.056 1.00 0.00 H new ATOM 1671 N VAL A 114 -12.146 2.048 10.535 1.00 0.00 N ATOM 1672 CA VAL A 114 -11.354 2.849 11.460 1.00 0.00 C ATOM 1673 C VAL A 114 -10.268 3.625 10.725 1.00 0.00 C ATOM 1674 O VAL A 114 -10.051 4.808 10.988 1.00 0.00 O ATOM 1675 CB VAL A 114 -10.707 1.948 12.527 1.00 0.00 C ATOM 1676 CG1 VAL A 114 -9.732 2.748 13.379 1.00 0.00 C ATOM 1677 CG2 VAL A 114 -11.784 1.313 13.392 1.00 0.00 C ATOM 0 H VAL A 114 -11.954 1.047 10.574 1.00 0.00 H new ATOM 0 HA VAL A 114 -12.025 3.560 11.942 1.00 0.00 H new ATOM 0 HB VAL A 114 -10.149 1.155 12.029 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -9.284 2.096 14.128 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -8.949 3.163 12.744 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -10.264 3.559 13.876 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -11.318 0.677 14.145 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -12.362 2.094 13.885 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -12.445 0.712 12.767 1.00 0.00 H new ATOM 1687 N HIS A 115 -9.588 2.951 9.804 1.00 0.00 N ATOM 1688 CA HIS A 115 -8.580 3.597 8.971 1.00 0.00 C ATOM 1689 C HIS A 115 -8.965 3.541 7.498 1.00 0.00 C ATOM 1690 O HIS A 115 -9.908 2.846 7.119 1.00 0.00 O ATOM 1691 CB HIS A 115 -7.211 2.941 9.172 1.00 0.00 C ATOM 1692 CG HIS A 115 -6.730 2.974 10.590 1.00 0.00 C ATOM 1693 ND1 HIS A 115 -6.339 4.139 11.216 1.00 0.00 N ATOM 1694 CD2 HIS A 115 -6.578 1.987 11.503 1.00 0.00 C ATOM 1695 CE1 HIS A 115 -5.966 3.866 12.454 1.00 0.00 C ATOM 1696 NE2 HIS A 115 -6.101 2.567 12.653 1.00 0.00 N ATOM 0 H HIS A 115 -9.717 1.957 9.615 1.00 0.00 H new ATOM 0 HA HIS A 115 -8.523 4.642 9.275 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.262 1.904 8.839 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.481 3.444 8.538 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -6.792 0.939 11.355 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -5.611 4.583 13.180 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -5.886 2.075 13.520 1.00 0.00 H new ATOM 1703 N THR A 116 -8.230 4.276 6.672 1.00 0.00 N ATOM 1704 CA THR A 116 -8.557 4.397 5.256 1.00 0.00 C ATOM 1705 C THR A 116 -7.723 3.441 4.414 1.00 0.00 C ATOM 1706 O THR A 116 -6.532 3.665 4.200 1.00 0.00 O ATOM 1707 CB THR A 116 -8.349 5.840 4.759 1.00 0.00 C ATOM 1708 OG1 THR A 116 -9.163 6.735 5.529 1.00 0.00 O ATOM 1709 CG2 THR A 116 -8.724 5.957 3.289 1.00 0.00 C ATOM 0 H THR A 116 -7.402 4.798 6.959 1.00 0.00 H new ATOM 0 HA THR A 116 -9.609 4.135 5.145 1.00 0.00 H new ATOM 0 HB THR A 116 -7.297 6.101 4.877 1.00 0.00 H new ATOM 0 HG1 THR A 116 -8.627 7.126 6.250 1.00 0.00 H new ATOM 0 HG21 THR A 116 -8.571 6.983 2.955 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.099 5.286 2.700 1.00 0.00 H new ATOM 0 HG23 THR A 116 -9.771 5.685 3.158 1.00 0.00 H new ATOM 1717 N VAL A 117 -8.356 2.374 3.937 1.00 0.00 N ATOM 1718 CA VAL A 117 -7.671 1.379 3.119 1.00 0.00 C ATOM 1719 C VAL A 117 -7.436 1.896 1.706 1.00 0.00 C ATOM 1720 O VAL A 117 -8.343 2.435 1.072 1.00 0.00 O ATOM 1721 CB VAL A 117 -8.496 0.080 3.057 1.00 0.00 C ATOM 1722 CG1 VAL A 117 -7.850 -0.916 2.105 1.00 0.00 C ATOM 1723 CG2 VAL A 117 -8.630 -0.515 4.450 1.00 0.00 C ATOM 0 H VAL A 117 -9.343 2.176 4.103 1.00 0.00 H new ATOM 0 HA VAL A 117 -6.705 1.177 3.582 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.492 0.311 2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.446 -1.828 2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.796 -0.483 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.844 -1.152 2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.215 -1.433 4.399 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.640 -0.737 4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.132 0.198 5.104 1.00 0.00 H new ATOM 1733 N PHE A 118 -6.212 1.728 1.217 1.00 0.00 N ATOM 1734 CA PHE A 118 -5.804 2.328 -0.048 1.00 0.00 C ATOM 1735 C PHE A 118 -5.196 1.288 -0.980 1.00 0.00 C ATOM 1736 O PHE A 118 -5.073 1.514 -2.184 1.00 0.00 O ATOM 1737 CB PHE A 118 -4.796 3.453 0.195 1.00 0.00 C ATOM 1738 CG PHE A 118 -3.449 2.971 0.653 1.00 0.00 C ATOM 1739 CD1 PHE A 118 -3.184 2.786 2.002 1.00 0.00 C ATOM 1740 CD2 PHE A 118 -2.444 2.702 -0.264 1.00 0.00 C ATOM 1741 CE1 PHE A 118 -1.946 2.344 2.425 1.00 0.00 C ATOM 1742 CE2 PHE A 118 -1.204 2.258 0.157 1.00 0.00 C ATOM 1743 CZ PHE A 118 -0.955 2.080 1.502 1.00 0.00 C ATOM 0 H PHE A 118 -5.485 1.181 1.678 1.00 0.00 H new ATOM 0 HA PHE A 118 -6.695 2.739 -0.522 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -4.674 4.024 -0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.201 4.136 0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -3.955 2.990 2.730 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -2.632 2.841 -1.318 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -1.753 2.205 3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -0.430 2.051 -0.567 1.00 0.00 H new ATOM 0 HZ PHE A 118 0.014 1.735 1.832 1.00 0.00 H new ATOM 1753 N GLY A 119 -4.818 0.144 -0.417 1.00 0.00 N ATOM 1754 CA GLY A 119 -4.169 -0.911 -1.186 1.00 0.00 C ATOM 1755 C GLY A 119 -4.274 -2.253 -0.476 1.00 0.00 C ATOM 1756 O GLY A 119 -4.884 -2.358 0.589 1.00 0.00 O ATOM 0 H GLY A 119 -4.951 -0.075 0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.628 -0.981 -2.172 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -3.120 -0.659 -1.340 1.00 0.00 H new ATOM 1760 N GLN A 120 -3.676 -3.280 -1.071 1.00 0.00 N ATOM 1761 CA GLN A 120 -3.640 -4.605 -0.461 1.00 0.00 C ATOM 1762 C GLN A 120 -2.500 -5.440 -1.027 1.00 0.00 C ATOM 1763 O GLN A 120 -2.349 -5.560 -2.244 1.00 0.00 O ATOM 1764 CB GLN A 120 -4.973 -5.328 -0.671 1.00 0.00 C ATOM 1765 CG GLN A 120 -5.045 -6.699 -0.021 1.00 0.00 C ATOM 1766 CD GLN A 120 -6.378 -7.384 -0.260 1.00 0.00 C ATOM 1767 OE1 GLN A 120 -7.172 -6.950 -1.098 1.00 0.00 O ATOM 1768 NE2 GLN A 120 -6.629 -8.461 0.475 1.00 0.00 N ATOM 0 H GLN A 120 -3.209 -3.220 -1.976 1.00 0.00 H new ATOM 0 HA GLN A 120 -3.471 -4.475 0.608 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -5.777 -4.707 -0.275 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -5.151 -5.435 -1.741 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -4.243 -7.325 -0.411 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -4.878 -6.599 1.052 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -5.943 -8.784 1.157 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -7.508 -8.965 0.358 1.00 0.00 H new ATOM 1777 N VAL A 121 -1.698 -6.018 -0.139 1.00 0.00 N ATOM 1778 CA VAL A 121 -0.592 -6.876 -0.548 1.00 0.00 C ATOM 1779 C VAL A 121 -1.099 -8.130 -1.248 1.00 0.00 C ATOM 1780 O VAL A 121 -1.994 -8.813 -0.748 1.00 0.00 O ATOM 1781 CB VAL A 121 0.253 -7.278 0.675 1.00 0.00 C ATOM 1782 CG1 VAL A 121 1.367 -8.229 0.263 1.00 0.00 C ATOM 1783 CG2 VAL A 121 0.823 -6.036 1.342 1.00 0.00 C ATOM 0 H VAL A 121 -1.794 -5.907 0.870 1.00 0.00 H new ATOM 0 HA VAL A 121 0.025 -6.312 -1.247 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.385 -7.796 1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.954 -8.503 1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.934 -9.127 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.012 -7.740 -0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.419 -6.328 2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.452 -5.498 0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.007 -5.390 1.666 1.00 0.00 H new ATOM 1793 N THR A 122 -0.520 -8.430 -2.406 1.00 0.00 N ATOM 1794 CA THR A 122 -0.928 -9.593 -3.187 1.00 0.00 C ATOM 1795 C THR A 122 0.223 -10.576 -3.351 1.00 0.00 C ATOM 1796 O THR A 122 0.011 -11.748 -3.666 1.00 0.00 O ATOM 1797 CB THR A 122 -1.452 -9.173 -4.573 1.00 0.00 C ATOM 1798 OG1 THR A 122 -0.409 -8.510 -5.300 1.00 0.00 O ATOM 1799 CG2 THR A 122 -2.641 -8.236 -4.432 1.00 0.00 C ATOM 0 H THR A 122 0.233 -7.884 -2.825 1.00 0.00 H new ATOM 0 HA THR A 122 -1.733 -10.084 -2.640 1.00 0.00 H new ATOM 0 HB THR A 122 -1.769 -10.066 -5.111 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.743 -8.245 -6.182 1.00 0.00 H new ATOM 0 HG21 THR A 122 -2.998 -7.950 -5.421 1.00 0.00 H new ATOM 0 HG22 THR A 122 -3.440 -8.741 -3.890 1.00 0.00 H new ATOM 0 HG23 THR A 122 -2.338 -7.344 -3.883 1.00 0.00 H new ATOM 1807 N SER A 123 1.442 -10.095 -3.137 1.00 0.00 N ATOM 1808 CA SER A 123 2.628 -10.937 -3.234 1.00 0.00 C ATOM 1809 C SER A 123 3.681 -10.528 -2.212 1.00 0.00 C ATOM 1810 O SER A 123 3.860 -9.343 -1.933 1.00 0.00 O ATOM 1811 CB SER A 123 3.210 -10.860 -4.632 1.00 0.00 C ATOM 1812 OG SER A 123 4.364 -11.647 -4.740 1.00 0.00 O ATOM 0 H SER A 123 1.635 -9.123 -2.894 1.00 0.00 H new ATOM 0 HA SER A 123 2.329 -11.964 -3.023 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.468 -11.195 -5.357 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.448 -9.824 -4.874 1.00 0.00 H new ATOM 0 HG SER A 123 4.720 -11.582 -5.651 1.00 0.00 H new ATOM 1818 N GLY A 124 4.376 -11.516 -1.659 1.00 0.00 N ATOM 1819 CA GLY A 124 5.403 -11.260 -0.656 1.00 0.00 C ATOM 1820 C GLY A 124 4.831 -11.352 0.753 1.00 0.00 C ATOM 1821 O GLY A 124 5.451 -10.899 1.716 1.00 0.00 O ATOM 0 H GLY A 124 4.247 -12.501 -1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 124 6.214 -11.979 -0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.831 -10.270 -0.814 1.00 0.00 H new ATOM 1825 N MET A 125 3.646 -11.940 0.869 1.00 0.00 N ATOM 1826 CA MET A 125 3.017 -12.149 2.168 1.00 0.00 C ATOM 1827 C MET A 125 3.887 -13.017 3.067 1.00 0.00 C ATOM 1828 O MET A 125 3.861 -12.881 4.291 1.00 0.00 O ATOM 1829 CB MET A 125 1.638 -12.780 1.990 1.00 0.00 C ATOM 1830 CG MET A 125 0.575 -11.831 1.454 1.00 0.00 C ATOM 1831 SD MET A 125 0.297 -10.416 2.537 1.00 0.00 S ATOM 1832 CE MET A 125 -0.219 -11.236 4.042 1.00 0.00 C ATOM 0 H MET A 125 3.100 -12.281 0.078 1.00 0.00 H new ATOM 0 HA MET A 125 2.902 -11.178 2.650 1.00 0.00 H new ATOM 0 HB2 MET A 125 1.725 -13.628 1.311 1.00 0.00 H new ATOM 0 HB3 MET A 125 1.305 -13.173 2.951 1.00 0.00 H new ATOM 0 HG2 MET A 125 0.875 -11.476 0.468 1.00 0.00 H new ATOM 0 HG3 MET A 125 -0.361 -12.375 1.326 1.00 0.00 H new ATOM 0 HE1 MET A 125 -0.756 -10.530 4.675 1.00 0.00 H new ATOM 0 HE2 MET A 125 -0.873 -12.072 3.795 1.00 0.00 H new ATOM 0 HE3 MET A 125 0.658 -11.606 4.574 1.00 0.00 H new ATOM 1842 N ASP A 126 4.657 -13.911 2.455 1.00 0.00 N ATOM 1843 CA ASP A 126 5.617 -14.726 3.189 1.00 0.00 C ATOM 1844 C ASP A 126 6.603 -13.857 3.958 1.00 0.00 C ATOM 1845 O ASP A 126 7.052 -14.222 5.045 1.00 0.00 O ATOM 1846 CB ASP A 126 6.379 -15.649 2.234 1.00 0.00 C ATOM 1847 CG ASP A 126 5.520 -16.786 1.698 1.00 0.00 C ATOM 1848 OD1 ASP A 126 4.441 -16.980 2.208 1.00 0.00 O ATOM 1849 OD2 ASP A 126 5.949 -17.450 0.786 1.00 0.00 O ATOM 0 H ASP A 126 4.634 -14.089 1.451 1.00 0.00 H new ATOM 0 HA ASP A 126 5.058 -15.331 3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 126 6.761 -15.063 1.398 1.00 0.00 H new ATOM 0 HB3 ASP A 126 7.243 -16.066 2.752 1.00 0.00 H new ATOM 1854 N VAL A 127 6.938 -12.704 3.389 1.00 0.00 N ATOM 1855 CA VAL A 127 7.792 -11.735 4.064 1.00 0.00 C ATOM 1856 C VAL A 127 7.003 -10.916 5.078 1.00 0.00 C ATOM 1857 O VAL A 127 7.443 -10.720 6.211 1.00 0.00 O ATOM 1858 CB VAL A 127 8.442 -10.788 3.038 1.00 0.00 C ATOM 1859 CG1 VAL A 127 9.205 -9.679 3.746 1.00 0.00 C ATOM 1860 CG2 VAL A 127 9.364 -11.575 2.119 1.00 0.00 C ATOM 0 H VAL A 127 6.630 -12.418 2.460 1.00 0.00 H new ATOM 0 HA VAL A 127 8.568 -12.290 4.592 1.00 0.00 H new ATOM 0 HB VAL A 127 7.659 -10.328 2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 127 9.658 -9.019 3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 127 8.519 -9.107 4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 127 9.986 -10.115 4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 127 9.820 -10.899 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 127 10.144 -12.055 2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 127 8.789 -12.336 1.592 1.00 0.00 H new ATOM 1870 N VAL A 128 5.833 -10.439 4.663 1.00 0.00 N ATOM 1871 CA VAL A 128 4.990 -9.621 5.525 1.00 0.00 C ATOM 1872 C VAL A 128 4.753 -10.300 6.869 1.00 0.00 C ATOM 1873 O VAL A 128 4.821 -9.661 7.918 1.00 0.00 O ATOM 1874 CB VAL A 128 3.635 -9.347 4.846 1.00 0.00 C ATOM 1875 CG1 VAL A 128 2.670 -8.697 5.826 1.00 0.00 C ATOM 1876 CG2 VAL A 128 3.838 -8.466 3.623 1.00 0.00 C ATOM 0 H VAL A 128 5.448 -10.606 3.733 1.00 0.00 H new ATOM 0 HA VAL A 128 5.509 -8.678 5.696 1.00 0.00 H new ATOM 0 HB VAL A 128 3.202 -10.294 4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.718 -8.510 5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 128 2.512 -9.361 6.676 1.00 0.00 H new ATOM 0 HG13 VAL A 128 3.088 -7.753 6.176 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.876 -8.276 3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.286 -7.520 3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 128 4.498 -8.970 2.917 1.00 0.00 H new ATOM 1886 N ARG A 129 4.475 -11.598 6.829 1.00 0.00 N ATOM 1887 CA ARG A 129 4.089 -12.336 8.025 1.00 0.00 C ATOM 1888 C ARG A 129 5.303 -12.668 8.884 1.00 0.00 C ATOM 1889 O ARG A 129 5.166 -13.125 10.018 1.00 0.00 O ATOM 1890 CB ARG A 129 3.369 -13.623 7.651 1.00 0.00 C ATOM 1891 CG ARG A 129 2.018 -13.428 6.983 1.00 0.00 C ATOM 1892 CD ARG A 129 1.382 -14.727 6.639 1.00 0.00 C ATOM 1893 NE ARG A 129 2.110 -15.426 5.592 1.00 0.00 N ATOM 1894 CZ ARG A 129 1.824 -16.671 5.162 1.00 0.00 C ATOM 1895 NH1 ARG A 129 0.827 -17.339 5.699 1.00 0.00 N ATOM 1896 NH2 ARG A 129 2.546 -17.220 4.202 1.00 0.00 N ATOM 0 H ARG A 129 4.510 -12.162 5.980 1.00 0.00 H new ATOM 0 HA ARG A 129 3.417 -11.699 8.600 1.00 0.00 H new ATOM 0 HB2 ARG A 129 4.009 -14.199 6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 129 3.230 -14.220 8.552 1.00 0.00 H new ATOM 0 HG2 ARG A 129 1.361 -12.866 7.647 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.142 -12.833 6.078 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.334 -15.355 7.529 1.00 0.00 H new ATOM 0 HD3 ARG A 129 0.356 -14.554 6.315 1.00 0.00 H new ATOM 0 HE ARG A 129 2.892 -14.940 5.152 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.270 -16.915 6.441 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.610 -18.281 5.374 1.00 0.00 H new ATOM 0 HH21 ARG A 129 3.320 -16.702 3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.330 -18.162 3.877 1.00 0.00 H new ATOM 1910 N THR A 130 6.490 -12.435 8.334 1.00 0.00 N ATOM 1911 CA THR A 130 7.732 -12.717 9.046 1.00 0.00 C ATOM 1912 C THR A 130 8.513 -11.440 9.319 1.00 0.00 C ATOM 1913 O THR A 130 9.708 -11.481 9.610 1.00 0.00 O ATOM 1914 CB THR A 130 8.611 -13.704 8.255 1.00 0.00 C ATOM 1915 OG1 THR A 130 8.900 -13.157 6.961 1.00 0.00 O ATOM 1916 CG2 THR A 130 7.902 -15.039 8.091 1.00 0.00 C ATOM 0 H THR A 130 6.619 -12.052 7.398 1.00 0.00 H new ATOM 0 HA THR A 130 7.462 -13.171 9.999 1.00 0.00 H new ATOM 0 HB THR A 130 9.538 -13.864 8.806 1.00 0.00 H new ATOM 0 HG1 THR A 130 8.301 -13.557 6.296 1.00 0.00 H new ATOM 0 HG21 THR A 130 8.539 -15.723 7.530 1.00 0.00 H new ATOM 0 HG22 THR A 130 7.692 -15.462 9.073 1.00 0.00 H new ATOM 0 HG23 THR A 130 6.966 -14.890 7.552 1.00 0.00 H new ATOM 1924 N MET A 131 7.831 -10.303 9.224 1.00 0.00 N ATOM 1925 CA MET A 131 8.446 -9.014 9.515 1.00 0.00 C ATOM 1926 C MET A 131 8.780 -8.884 10.995 1.00 0.00 C ATOM 1927 O MET A 131 8.166 -9.536 11.840 1.00 0.00 O ATOM 1928 CB MET A 131 7.524 -7.878 9.075 1.00 0.00 C ATOM 1929 CG MET A 131 7.412 -7.707 7.566 1.00 0.00 C ATOM 1930 SD MET A 131 6.248 -6.411 7.099 1.00 0.00 S ATOM 1931 CE MET A 131 7.160 -4.947 7.577 1.00 0.00 C ATOM 0 H MET A 131 6.851 -10.249 8.947 1.00 0.00 H new ATOM 0 HA MET A 131 9.379 -8.950 8.955 1.00 0.00 H new ATOM 0 HB2 MET A 131 6.529 -8.055 9.483 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.885 -6.945 9.508 1.00 0.00 H new ATOM 0 HG2 MET A 131 8.395 -7.472 7.157 1.00 0.00 H new ATOM 0 HG3 MET A 131 7.098 -8.650 7.120 1.00 0.00 H new ATOM 0 HE1 MET A 131 6.616 -4.419 8.361 1.00 0.00 H new ATOM 0 HE2 MET A 131 8.143 -5.236 7.949 1.00 0.00 H new ATOM 0 HE3 MET A 131 7.277 -4.293 6.713 1.00 0.00 H new ATOM 1941 N LYS A 132 9.756 -8.037 11.304 1.00 0.00 N ATOM 1942 CA LYS A 132 10.119 -7.757 12.689 1.00 0.00 C ATOM 1943 C LYS A 132 10.111 -6.260 12.968 1.00 0.00 C ATOM 1944 O LYS A 132 10.330 -5.450 12.067 1.00 0.00 O ATOM 1945 CB LYS A 132 11.492 -8.347 13.013 1.00 0.00 C ATOM 1946 CG LYS A 132 11.552 -9.867 12.964 1.00 0.00 C ATOM 1947 CD LYS A 132 12.935 -10.379 13.336 1.00 0.00 C ATOM 1948 CE LYS A 132 13.000 -11.898 13.275 1.00 0.00 C ATOM 1949 NZ LYS A 132 14.348 -12.412 13.638 1.00 0.00 N ATOM 0 H LYS A 132 10.311 -7.532 10.613 1.00 0.00 H new ATOM 0 HA LYS A 132 9.373 -8.226 13.331 1.00 0.00 H new ATOM 0 HB2 LYS A 132 12.222 -7.944 12.311 1.00 0.00 H new ATOM 0 HB3 LYS A 132 11.790 -8.016 14.008 1.00 0.00 H new ATOM 0 HG2 LYS A 132 10.812 -10.284 13.647 1.00 0.00 H new ATOM 0 HG3 LYS A 132 11.292 -10.211 11.963 1.00 0.00 H new ATOM 0 HD2 LYS A 132 13.676 -9.954 12.659 1.00 0.00 H new ATOM 0 HD3 LYS A 132 13.191 -10.042 14.341 1.00 0.00 H new ATOM 0 HE2 LYS A 132 12.257 -12.320 13.951 1.00 0.00 H new ATOM 0 HE3 LYS A 132 12.743 -12.232 12.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 14.350 -13.451 13.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 15.055 -12.030 12.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 14.583 -12.115 14.607 1.00 0.00 H new ATOM 1963 N ASN A 133 9.860 -5.898 14.222 1.00 0.00 N ATOM 1964 CA ASN A 133 9.789 -4.496 14.615 1.00 0.00 C ATOM 1965 C ASN A 133 11.140 -3.810 14.455 1.00 0.00 C ATOM 1966 O ASN A 133 12.152 -4.285 14.971 1.00 0.00 O ATOM 1967 CB ASN A 133 9.289 -4.366 16.041 1.00 0.00 C ATOM 1968 CG ASN A 133 9.023 -2.938 16.432 1.00 0.00 C ATOM 1969 OD1 ASN A 133 9.648 -2.011 15.905 1.00 0.00 O ATOM 1970 ND2 ASN A 133 8.108 -2.745 17.347 1.00 0.00 N ATOM 0 H ASN A 133 9.702 -6.557 14.984 1.00 0.00 H new ATOM 0 HA ASN A 133 9.080 -3.998 13.953 1.00 0.00 H new ATOM 0 HB2 ASN A 133 8.374 -4.947 16.156 1.00 0.00 H new ATOM 0 HB3 ASN A 133 10.026 -4.794 16.721 1.00 0.00 H new ATOM 0 HD21 ASN A 133 7.885 -1.798 17.653 1.00 0.00 H new ATOM 0 HD22 ASN A 133 7.618 -3.542 17.754 1.00 0.00 H new ATOM 1977 N GLY A 134 11.150 -2.692 13.738 1.00 0.00 N ATOM 1978 CA GLY A 134 12.379 -1.944 13.502 1.00 0.00 C ATOM 1979 C GLY A 134 12.885 -2.150 12.081 1.00 0.00 C ATOM 1980 O GLY A 134 13.861 -1.527 11.663 1.00 0.00 O ATOM 0 H GLY A 134 10.319 -2.283 13.310 1.00 0.00 H new ATOM 0 HA2 GLY A 134 12.201 -0.883 13.677 1.00 0.00 H new ATOM 0 HA3 GLY A 134 13.143 -2.261 14.212 1.00 0.00 H new ATOM 1984 N ASP A 135 12.215 -3.027 11.341 1.00 0.00 N ATOM 1985 CA ASP A 135 12.526 -3.237 9.932 1.00 0.00 C ATOM 1986 C ASP A 135 12.362 -1.952 9.133 1.00 0.00 C ATOM 1987 O ASP A 135 11.479 -1.141 9.418 1.00 0.00 O ATOM 1988 CB ASP A 135 11.632 -4.330 9.343 1.00 0.00 C ATOM 1989 CG ASP A 135 12.114 -5.736 9.677 1.00 0.00 C ATOM 1990 OD1 ASP A 135 13.197 -5.863 10.197 1.00 0.00 O ATOM 1991 OD2 ASP A 135 11.394 -6.668 9.409 1.00 0.00 O ATOM 0 H ASP A 135 11.452 -3.605 11.694 1.00 0.00 H new ATOM 0 HA ASP A 135 13.567 -3.552 9.867 1.00 0.00 H new ATOM 0 HB2 ASP A 135 10.616 -4.202 9.717 1.00 0.00 H new ATOM 0 HB3 ASP A 135 11.590 -4.214 8.260 1.00 0.00 H new ATOM 1996 N VAL A 136 13.215 -1.769 8.132 1.00 0.00 N ATOM 1997 CA VAL A 136 13.259 -0.520 7.379 1.00 0.00 C ATOM 1998 C VAL A 136 13.056 -0.767 5.891 1.00 0.00 C ATOM 1999 O VAL A 136 13.572 -1.738 5.336 1.00 0.00 O ATOM 2000 CB VAL A 136 14.607 0.190 7.601 1.00 0.00 C ATOM 2001 CG1 VAL A 136 15.757 -0.697 7.146 1.00 0.00 C ATOM 2002 CG2 VAL A 136 14.622 1.517 6.857 1.00 0.00 C ATOM 0 H VAL A 136 13.887 -2.471 7.822 1.00 0.00 H new ATOM 0 HA VAL A 136 12.449 0.114 7.740 1.00 0.00 H new ATOM 0 HB VAL A 136 14.733 0.386 8.666 1.00 0.00 H new ATOM 0 HG11 VAL A 136 16.702 -0.180 7.310 1.00 0.00 H new ATOM 0 HG12 VAL A 136 15.748 -1.626 7.716 1.00 0.00 H new ATOM 0 HG13 VAL A 136 15.646 -0.922 6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 136 15.579 2.014 7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 136 14.481 1.338 5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 136 13.817 2.151 7.228 1.00 0.00 H new ATOM 2012 N MET A 137 12.303 0.118 5.246 1.00 0.00 N ATOM 2013 CA MET A 137 12.040 0.004 3.816 1.00 0.00 C ATOM 2014 C MET A 137 13.195 0.565 2.997 1.00 0.00 C ATOM 2015 O MET A 137 13.364 1.781 2.895 1.00 0.00 O ATOM 2016 CB MET A 137 10.738 0.719 3.461 1.00 0.00 C ATOM 2017 CG MET A 137 9.495 0.120 4.105 1.00 0.00 C ATOM 2018 SD MET A 137 7.988 1.010 3.667 1.00 0.00 S ATOM 2019 CE MET A 137 8.105 2.428 4.755 1.00 0.00 C ATOM 0 H MET A 137 11.864 0.923 5.692 1.00 0.00 H new ATOM 0 HA MET A 137 11.940 -1.054 3.573 1.00 0.00 H new ATOM 0 HB2 MET A 137 10.819 1.764 3.759 1.00 0.00 H new ATOM 0 HB3 MET A 137 10.614 0.705 2.378 1.00 0.00 H new ATOM 0 HG2 MET A 137 9.399 -0.922 3.800 1.00 0.00 H new ATOM 0 HG3 MET A 137 9.614 0.125 5.189 1.00 0.00 H new ATOM 0 HE1 MET A 137 7.342 2.356 5.530 1.00 0.00 H new ATOM 0 HE2 MET A 137 9.092 2.451 5.218 1.00 0.00 H new ATOM 0 HE3 MET A 137 7.953 3.341 4.180 1.00 0.00 H new ATOM 2029 N LYS A 138 13.989 -0.327 2.415 1.00 0.00 N ATOM 2030 CA LYS A 138 15.135 0.077 1.610 1.00 0.00 C ATOM 2031 C LYS A 138 14.736 1.109 0.563 1.00 0.00 C ATOM 2032 O LYS A 138 15.439 2.098 0.352 1.00 0.00 O ATOM 2033 CB LYS A 138 15.771 -1.139 0.935 1.00 0.00 C ATOM 2034 CG LYS A 138 16.997 -0.819 0.088 1.00 0.00 C ATOM 2035 CD LYS A 138 17.653 -2.087 -0.435 1.00 0.00 C ATOM 2036 CE LYS A 138 18.879 -1.770 -1.278 1.00 0.00 C ATOM 2037 NZ LYS A 138 19.536 -3.002 -1.793 1.00 0.00 N ATOM 0 H LYS A 138 13.859 -1.336 2.486 1.00 0.00 H new ATOM 0 HA LYS A 138 15.866 0.534 2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 138 16.053 -1.860 1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 138 15.024 -1.621 0.304 1.00 0.00 H new ATOM 0 HG2 LYS A 138 16.707 -0.185 -0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 138 17.715 -0.254 0.682 1.00 0.00 H new ATOM 0 HD2 LYS A 138 17.940 -2.722 0.403 1.00 0.00 H new ATOM 0 HD3 LYS A 138 16.935 -2.651 -1.031 1.00 0.00 H new ATOM 0 HE2 LYS A 138 18.589 -1.137 -2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 138 19.592 -1.201 -0.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 20.366 -2.741 -2.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 19.837 -3.595 -0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 18.864 -3.532 -2.384 1.00 0.00 H new ATOM 2051 N GLU A 139 13.605 0.873 -0.093 1.00 0.00 N ATOM 2052 CA GLU A 139 13.042 1.841 -1.025 1.00 0.00 C ATOM 2053 C GLU A 139 11.567 1.564 -1.285 1.00 0.00 C ATOM 2054 O GLU A 139 11.108 0.429 -1.160 1.00 0.00 O ATOM 2055 CB GLU A 139 13.815 1.821 -2.346 1.00 0.00 C ATOM 2056 CG GLU A 139 13.723 0.507 -3.109 1.00 0.00 C ATOM 2057 CD GLU A 139 14.542 0.503 -4.368 1.00 0.00 C ATOM 2058 OE1 GLU A 139 15.192 1.486 -4.636 1.00 0.00 O ATOM 2059 OE2 GLU A 139 14.519 -0.484 -5.066 1.00 0.00 O ATOM 0 H GLU A 139 13.059 0.017 0.005 1.00 0.00 H new ATOM 0 HA GLU A 139 13.130 2.829 -0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 139 13.443 2.624 -2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 139 14.864 2.036 -2.142 1.00 0.00 H new ATOM 0 HG2 GLU A 139 14.055 -0.306 -2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 139 12.681 0.310 -3.359 1.00 0.00 H new ATOM 2066 N VAL A 140 10.829 2.607 -1.646 1.00 0.00 N ATOM 2067 CA VAL A 140 9.406 2.476 -1.938 1.00 0.00 C ATOM 2068 C VAL A 140 9.023 3.264 -3.184 1.00 0.00 C ATOM 2069 O VAL A 140 9.345 4.447 -3.305 1.00 0.00 O ATOM 2070 CB VAL A 140 8.568 2.970 -0.745 1.00 0.00 C ATOM 2071 CG1 VAL A 140 7.083 2.802 -1.030 1.00 0.00 C ATOM 2072 CG2 VAL A 140 8.964 2.214 0.515 1.00 0.00 C ATOM 0 H VAL A 140 11.193 3.555 -1.744 1.00 0.00 H new ATOM 0 HA VAL A 140 9.201 1.420 -2.117 1.00 0.00 H new ATOM 0 HB VAL A 140 8.764 4.031 -0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 140 6.506 3.156 -0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 140 6.815 3.380 -1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.863 1.749 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 140 8.367 2.569 1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 140 8.789 1.148 0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 140 10.020 2.383 0.724 1.00 0.00 H new ATOM 2082 N LYS A 141 8.335 2.603 -4.108 1.00 0.00 N ATOM 2083 CA LYS A 141 7.911 3.240 -5.350 1.00 0.00 C ATOM 2084 C LYS A 141 6.480 2.858 -5.704 1.00 0.00 C ATOM 2085 O LYS A 141 5.952 1.864 -5.207 1.00 0.00 O ATOM 2086 CB LYS A 141 8.855 2.864 -6.493 1.00 0.00 C ATOM 2087 CG LYS A 141 10.287 3.349 -6.313 1.00 0.00 C ATOM 2088 CD LYS A 141 11.151 2.978 -7.509 1.00 0.00 C ATOM 2089 CE LYS A 141 12.586 3.449 -7.324 1.00 0.00 C ATOM 2090 NZ LYS A 141 13.422 3.169 -8.523 1.00 0.00 N ATOM 0 H LYS A 141 8.059 1.625 -4.021 1.00 0.00 H new ATOM 0 HA LYS A 141 7.948 4.319 -5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 141 8.863 1.779 -6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 141 8.460 3.273 -7.423 1.00 0.00 H new ATOM 0 HG2 LYS A 141 10.293 4.431 -6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 141 10.710 2.914 -5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 141 11.136 1.897 -7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 141 10.734 3.422 -8.413 1.00 0.00 H new ATOM 0 HE2 LYS A 141 12.593 4.519 -7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 141 13.021 2.955 -6.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 14.392 3.505 -8.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 13.437 2.145 -8.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 13.022 3.661 -9.348 1.00 0.00 H new ATOM 2104 N VAL A 142 5.857 3.654 -6.566 1.00 0.00 N ATOM 2105 CA VAL A 142 4.522 3.347 -7.064 1.00 0.00 C ATOM 2106 C VAL A 142 4.436 3.553 -8.572 1.00 0.00 C ATOM 2107 O VAL A 142 4.889 4.571 -9.095 1.00 0.00 O ATOM 2108 CB VAL A 142 3.474 4.236 -6.368 1.00 0.00 C ATOM 2109 CG1 VAL A 142 2.099 4.022 -6.985 1.00 0.00 C ATOM 2110 CG2 VAL A 142 3.448 3.933 -4.877 1.00 0.00 C ATOM 0 H VAL A 142 6.256 4.517 -6.934 1.00 0.00 H new ATOM 0 HA VAL A 142 4.319 2.299 -6.842 1.00 0.00 H new ATOM 0 HB VAL A 142 3.748 5.282 -6.508 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.371 4.658 -6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 142 2.132 4.277 -8.044 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.808 2.978 -6.872 1.00 0.00 H new ATOM 0 HG21 VAL A 142 2.705 4.565 -4.390 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.190 2.885 -4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.430 4.132 -4.448 1.00 0.00 H new ATOM 2120 N PHE A 143 3.851 2.581 -9.264 1.00 0.00 N ATOM 2121 CA PHE A 143 3.742 2.635 -10.717 1.00 0.00 C ATOM 2122 C PHE A 143 2.310 2.383 -11.171 1.00 0.00 C ATOM 2123 O PHE A 143 1.549 1.685 -10.500 1.00 0.00 O ATOM 2124 CB PHE A 143 4.674 1.608 -11.361 1.00 0.00 C ATOM 2125 CG PHE A 143 6.124 1.810 -11.022 1.00 0.00 C ATOM 2126 CD1 PHE A 143 6.914 2.669 -11.771 1.00 0.00 C ATOM 2127 CD2 PHE A 143 6.700 1.142 -9.952 1.00 0.00 C ATOM 2128 CE1 PHE A 143 8.247 2.855 -11.462 1.00 0.00 C ATOM 2129 CE2 PHE A 143 8.034 1.327 -9.639 1.00 0.00 C ATOM 2130 CZ PHE A 143 8.808 2.183 -10.394 1.00 0.00 C ATOM 0 H PHE A 143 3.445 1.746 -8.842 1.00 0.00 H new ATOM 0 HA PHE A 143 4.035 3.636 -11.034 1.00 0.00 H new ATOM 0 HB2 PHE A 143 4.372 0.609 -11.046 1.00 0.00 H new ATOM 0 HB3 PHE A 143 4.554 1.650 -12.444 1.00 0.00 H new ATOM 0 HD1 PHE A 143 6.481 3.199 -12.607 1.00 0.00 H new ATOM 0 HD2 PHE A 143 6.100 0.470 -9.357 1.00 0.00 H new ATOM 0 HE1 PHE A 143 8.851 3.526 -12.055 1.00 0.00 H new ATOM 0 HE2 PHE A 143 8.470 0.801 -8.803 1.00 0.00 H new ATOM 0 HZ PHE A 143 9.850 2.327 -10.151 1.00 0.00 H new ATOM 2140 N ASP A 144 1.948 2.954 -12.315 1.00 0.00 N ATOM 2141 CA ASP A 144 0.610 2.781 -12.867 1.00 0.00 C ATOM 2142 C ASP A 144 0.450 1.407 -13.505 1.00 0.00 C ATOM 2143 O ASP A 144 0.489 1.272 -14.729 1.00 0.00 O ATOM 2144 CB ASP A 144 0.313 3.869 -13.903 1.00 0.00 C ATOM 2145 CG ASP A 144 -1.124 3.830 -14.408 1.00 0.00 C ATOM 2146 OD1 ASP A 144 -1.888 3.040 -13.907 1.00 0.00 O ATOM 2147 OD2 ASP A 144 -1.443 4.592 -15.289 1.00 0.00 O ATOM 0 H ASP A 144 2.563 3.541 -12.878 1.00 0.00 H new ATOM 0 HA ASP A 144 -0.100 2.865 -12.044 1.00 0.00 H new ATOM 0 HB2 ASP A 144 0.512 4.846 -13.463 1.00 0.00 H new ATOM 0 HB3 ASP A 144 0.993 3.755 -14.747 1.00 0.00 H new ATOM 2152 N GLU A 145 0.272 0.390 -12.670 1.00 0.00 N ATOM 2153 CA GLU A 145 0.108 -0.977 -13.150 1.00 0.00 C ATOM 2154 C GLU A 145 -1.194 -1.586 -12.648 1.00 0.00 C ATOM 2155 O GLU A 145 -1.238 -2.178 -11.569 1.00 0.00 O ATOM 2156 CB GLU A 145 1.291 -1.841 -12.709 1.00 0.00 C ATOM 2157 CG GLU A 145 2.631 -1.421 -13.297 1.00 0.00 C ATOM 2158 CD GLU A 145 3.761 -2.322 -12.881 1.00 0.00 C ATOM 2159 OE1 GLU A 145 3.505 -3.290 -12.205 1.00 0.00 O ATOM 2160 OE2 GLU A 145 4.880 -2.041 -13.238 1.00 0.00 O ATOM 0 H GLU A 145 0.238 0.487 -11.655 1.00 0.00 H new ATOM 0 HA GLU A 145 0.073 -0.946 -14.239 1.00 0.00 H new ATOM 0 HB2 GLU A 145 1.360 -1.813 -11.622 1.00 0.00 H new ATOM 0 HB3 GLU A 145 1.094 -2.876 -12.989 1.00 0.00 H new ATOM 0 HG2 GLU A 145 2.559 -1.415 -14.385 1.00 0.00 H new ATOM 0 HG3 GLU A 145 2.854 -0.400 -12.987 1.00 0.00 H new ATOM 2167 N PRO A 146 -2.254 -1.437 -13.435 1.00 0.00 N ATOM 2168 CA PRO A 146 -3.542 -2.037 -13.107 1.00 0.00 C ATOM 2169 C PRO A 146 -3.399 -3.525 -12.818 1.00 0.00 C ATOM 2170 O PRO A 146 -3.664 -3.888 -11.925 1.00 0.00 O ATOM 2171 CB PRO A 146 -4.371 -1.784 -14.371 1.00 0.00 C ATOM 2172 CG PRO A 146 -3.780 -0.545 -14.953 1.00 0.00 C ATOM 2173 CD PRO A 146 -2.303 -0.681 -14.703 1.00 0.00 C ATOM 2174 OXT PRO A 146 -2.969 -4.262 -13.661 1.00 0.00 O ATOM 0 HA PRO A 146 -3.997 -1.619 -12.209 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -4.304 -2.621 -15.065 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -5.427 -1.649 -14.135 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -3.997 -0.464 -16.018 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -4.183 0.349 -14.477 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -1.803 -1.215 -15.512 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -1.817 0.290 -14.614 1.00 0.00 H new