USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 791 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 81 HIS : no HD1:sc= 0 X(o=-0.16,f=-0.16) USER MOD Set 1.2: A 124 TYR OH : rot 180:sc= -0.159 USER MOD Set 2.1: A 106 CYS SG : rot 79:sc= 0.996 USER MOD Set 2.2: A 110 SER OG : rot 83:sc= 1.12 USER MOD Set 3.1: A 92 GLN : amide:sc= -1.43! C(o=-1.8!,f=-4.4!) USER MOD Set 3.2: A 93 GLN : amide:sc= -0.38 X(o=-1.8,f=-1.9) USER MOD Set 4.1: A 57 LYS NZ :NH3+ 168:sc= 1.22 (180deg=0) USER MOD Set 4.2: A 59 TYR OH : rot 180:sc= 1.02 USER MOD Single : A 52 SER OG : rot 41:sc= 0.0436 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.172 K(o=0.17,f=-9.4!) USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0669) USER MOD Single : A 74 CYS SG : rot 65:sc= -0.717 USER MOD Single : A 75 LYS NZ :NH3+ -138:sc= -0.951 (180deg=-2.43!) USER MOD Single : A 76 MET CE :methyl 165:sc= -3.22! (180deg=-3.45!) USER MOD Single : A 77 GLN : amide:sc= -0.494 K(o=-0.49,f=-1.6) USER MOD Single : A 78 THR OG1 : rot -46:sc= 1.21 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.665 K(o=-0.67,f=-4.2!) USER MOD Single : A 96 HIS : no HD1:sc= -1.79! C(o=-1.8!,f=-9.1!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -42:sc= 0.802 USER MOD Single : A 107 ASN : amide:sc= -0.0176 X(o=-0.018,f=-0.46) USER MOD Single : A 114 SER OG : rot 100:sc= 1.26 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot -12:sc= -3.77! USER MOD Single : A 128 ASN :FLIP amide:sc= -0.892 F(o=-3.4!,f=-0.89) USER MOD Single : A 131 CYS SG : rot 84:sc= 0.0877 USER MOD Single : A 132 THR OG1 : rot 97:sc= 1.22 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 HIS :FLIP no HE2:sc= -1.47 F(o=-2.5,f=-1.5) USER MOD Single : A 138 SER OG : rot 74:sc= 1.18 USER MOD Single : A 140 LYS NZ :NH3+ 169:sc=-0.00103 (180deg=-0.138) USER MOD Single : A 141 LYS NZ :NH3+ 157:sc= 0.0129 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -160:sc= 1.23 (180deg=1.09) USER MOD Single : A 144 ASN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 51 -28.867 -11.546 1.154 1.00 11.48 N ATOM 2 CA GLY A 51 -28.446 -12.378 2.308 1.00 11.08 C ATOM 3 C GLY A 51 -27.539 -11.629 3.263 1.00 10.43 C ATOM 4 O GLY A 51 -27.777 -10.459 3.569 1.00 10.45 O ATOM 0 HA2 GLY A 51 -29.330 -12.722 2.846 1.00 11.08 H new ATOM 0 HA3 GLY A 51 -27.930 -13.266 1.943 1.00 11.08 H new ATOM 10 N SER A 52 -26.483 -12.290 3.717 1.00 10.08 N ATOM 11 CA SER A 52 -25.570 -11.711 4.697 1.00 9.69 C ATOM 12 C SER A 52 -24.462 -10.909 4.017 1.00 9.02 C ATOM 13 O SER A 52 -23.358 -10.780 4.544 1.00 8.98 O ATOM 14 CB SER A 52 -24.981 -12.819 5.569 1.00 10.27 C ATOM 15 OG SER A 52 -24.774 -14.003 4.815 1.00 10.53 O ATOM 0 H SER A 52 -26.235 -13.234 3.421 1.00 10.08 H new ATOM 0 HA SER A 52 -26.131 -11.021 5.328 1.00 9.69 H new ATOM 0 HB2 SER A 52 -24.035 -12.486 5.997 1.00 10.27 H new ATOM 0 HB3 SER A 52 -25.652 -13.027 6.402 1.00 10.27 H new ATOM 0 HG SER A 52 -24.417 -13.771 3.932 1.00 10.53 H new ATOM 21 N HIS A 53 -24.772 -10.375 2.847 1.00 8.73 N ATOM 22 CA HIS A 53 -23.836 -9.561 2.093 1.00 8.32 C ATOM 23 C HIS A 53 -24.597 -8.650 1.137 1.00 7.73 C ATOM 24 O HIS A 53 -25.537 -9.087 0.471 1.00 7.87 O ATOM 25 CB HIS A 53 -22.846 -10.443 1.315 1.00 8.73 C ATOM 26 CG HIS A 53 -23.493 -11.419 0.373 1.00 9.23 C ATOM 27 ND1 HIS A 53 -23.701 -11.105 -0.949 1.00 9.69 N ATOM 28 CD2 HIS A 53 -23.960 -12.669 0.609 1.00 9.62 C ATOM 29 CE1 HIS A 53 -24.287 -12.163 -1.484 1.00 10.29 C ATOM 30 NE2 HIS A 53 -24.464 -13.135 -0.579 1.00 10.28 N ATOM 0 H HIS A 53 -25.678 -10.494 2.395 1.00 8.73 H new ATOM 0 HA HIS A 53 -23.266 -8.949 2.793 1.00 8.32 H new ATOM 0 HB2 HIS A 53 -22.174 -9.800 0.747 1.00 8.73 H new ATOM 0 HB3 HIS A 53 -22.233 -10.996 2.027 1.00 8.73 H new ATOM 0 HD2 HIS A 53 -23.939 -13.197 1.551 1.00 9.62 H new ATOM 0 HE1 HIS A 53 -24.585 -12.234 -2.520 1.00 10.29 H new ATOM 0 HE2 HIS A 53 -24.891 -14.047 -0.742 1.00 10.28 H new ATOM 38 N MET A 54 -24.209 -7.383 1.106 1.00 7.35 N ATOM 39 CA MET A 54 -24.811 -6.410 0.203 1.00 7.08 C ATOM 40 C MET A 54 -24.032 -5.102 0.289 1.00 6.25 C ATOM 41 O MET A 54 -24.495 -4.122 0.875 1.00 6.50 O ATOM 42 CB MET A 54 -26.291 -6.180 0.553 1.00 7.61 C ATOM 43 CG MET A 54 -27.137 -5.668 -0.611 1.00 8.34 C ATOM 44 SD MET A 54 -26.706 -3.999 -1.146 1.00 8.78 S ATOM 45 CE MET A 54 -27.848 -3.778 -2.506 1.00 9.55 C ATOM 0 H MET A 54 -23.474 -7.002 1.701 1.00 7.35 H new ATOM 0 HA MET A 54 -24.768 -6.793 -0.816 1.00 7.08 H new ATOM 0 HB2 MET A 54 -26.717 -7.116 0.913 1.00 7.61 H new ATOM 0 HB3 MET A 54 -26.352 -5.465 1.374 1.00 7.61 H new ATOM 0 HG2 MET A 54 -27.028 -6.349 -1.455 1.00 8.34 H new ATOM 0 HG3 MET A 54 -28.187 -5.686 -0.320 1.00 8.34 H new ATOM 0 HE1 MET A 54 -27.706 -2.790 -2.944 1.00 9.55 H new ATOM 0 HE2 MET A 54 -27.664 -4.540 -3.263 1.00 9.55 H new ATOM 0 HE3 MET A 54 -28.871 -3.869 -2.141 1.00 9.55 H new ATOM 55 N GLY A 55 -22.824 -5.112 -0.252 1.00 5.61 N ATOM 56 CA GLY A 55 -22.009 -3.914 -0.263 1.00 5.11 C ATOM 57 C GLY A 55 -21.184 -3.801 -1.524 1.00 4.35 C ATOM 58 O GLY A 55 -21.591 -3.146 -2.480 1.00 4.69 O ATOM 0 H GLY A 55 -22.392 -5.929 -0.684 1.00 5.61 H new ATOM 0 HA2 GLY A 55 -22.651 -3.038 -0.170 1.00 5.11 H new ATOM 0 HA3 GLY A 55 -21.348 -3.918 0.604 1.00 5.11 H new ATOM 62 N LYS A 56 -20.039 -4.468 -1.534 1.00 3.64 N ATOM 63 CA LYS A 56 -19.143 -4.457 -2.681 1.00 3.11 C ATOM 64 C LYS A 56 -18.023 -5.459 -2.463 1.00 2.55 C ATOM 65 O LYS A 56 -17.903 -6.419 -3.217 1.00 2.86 O ATOM 66 CB LYS A 56 -18.559 -3.058 -2.923 1.00 3.33 C ATOM 67 CG LYS A 56 -17.508 -2.985 -4.034 1.00 3.32 C ATOM 68 CD LYS A 56 -18.068 -3.333 -5.412 1.00 4.10 C ATOM 69 CE LYS A 56 -17.831 -4.796 -5.767 1.00 4.54 C ATOM 70 NZ LYS A 56 -18.284 -5.122 -7.144 1.00 5.01 N ATOM 0 H LYS A 56 -19.706 -5.030 -0.751 1.00 3.64 H new ATOM 0 HA LYS A 56 -19.717 -4.736 -3.565 1.00 3.11 H new ATOM 0 HB2 LYS A 56 -19.374 -2.377 -3.168 1.00 3.33 H new ATOM 0 HB3 LYS A 56 -18.112 -2.701 -1.995 1.00 3.33 H new ATOM 0 HG2 LYS A 56 -17.087 -1.980 -4.063 1.00 3.32 H new ATOM 0 HG3 LYS A 56 -16.690 -3.666 -3.798 1.00 3.32 H new ATOM 0 HD2 LYS A 56 -19.137 -3.123 -5.433 1.00 4.10 H new ATOM 0 HD3 LYS A 56 -17.603 -2.696 -6.165 1.00 4.10 H new ATOM 0 HE2 LYS A 56 -16.769 -5.023 -5.673 1.00 4.54 H new ATOM 0 HE3 LYS A 56 -18.357 -5.431 -5.054 1.00 4.54 H new ATOM 0 HZ1 LYS A 56 -18.103 -6.127 -7.340 1.00 5.01 H new ATOM 0 HZ2 LYS A 56 -19.303 -4.931 -7.229 1.00 5.01 H new ATOM 0 HZ3 LYS A 56 -17.764 -4.536 -7.828 1.00 5.01 H new ATOM 84 N LYS A 57 -17.242 -5.256 -1.399 1.00 2.28 N ATOM 85 CA LYS A 57 -16.064 -6.062 -1.086 1.00 1.87 C ATOM 86 C LYS A 57 -15.345 -5.404 0.084 1.00 1.72 C ATOM 87 O LYS A 57 -15.195 -4.182 0.107 1.00 2.48 O ATOM 88 CB LYS A 57 -15.104 -6.199 -2.271 1.00 1.84 C ATOM 89 CG LYS A 57 -15.208 -7.532 -3.000 1.00 2.16 C ATOM 90 CD LYS A 57 -14.920 -8.696 -2.072 1.00 2.61 C ATOM 91 CE LYS A 57 -15.114 -10.031 -2.766 1.00 3.28 C ATOM 92 NZ LYS A 57 -14.808 -11.166 -1.859 1.00 3.67 N ATOM 0 H LYS A 57 -17.415 -4.514 -0.721 1.00 2.28 H new ATOM 0 HA LYS A 57 -16.394 -7.071 -0.838 1.00 1.87 H new ATOM 0 HB2 LYS A 57 -15.299 -5.393 -2.979 1.00 1.84 H new ATOM 0 HB3 LYS A 57 -14.082 -6.070 -1.915 1.00 1.84 H new ATOM 0 HG2 LYS A 57 -16.207 -7.640 -3.422 1.00 2.16 H new ATOM 0 HG3 LYS A 57 -14.506 -7.548 -3.834 1.00 2.16 H new ATOM 0 HD2 LYS A 57 -13.897 -8.623 -1.704 1.00 2.61 H new ATOM 0 HD3 LYS A 57 -15.576 -8.639 -1.203 1.00 2.61 H new ATOM 0 HE2 LYS A 57 -16.142 -10.113 -3.119 1.00 3.28 H new ATOM 0 HE3 LYS A 57 -14.471 -10.082 -3.644 1.00 3.28 H new ATOM 0 HZ1 LYS A 57 -15.141 -12.053 -2.288 1.00 3.67 H new ATOM 0 HZ2 LYS A 57 -13.781 -11.220 -1.705 1.00 3.67 H new ATOM 0 HZ3 LYS A 57 -15.288 -11.021 -0.948 1.00 3.67 H new ATOM 106 N CYS A 58 -14.922 -6.194 1.053 1.00 1.35 N ATOM 107 CA CYS A 58 -14.306 -5.642 2.251 1.00 1.14 C ATOM 108 C CYS A 58 -13.065 -6.428 2.645 1.00 0.88 C ATOM 109 O CYS A 58 -13.130 -7.634 2.894 1.00 1.38 O ATOM 110 CB CYS A 58 -15.306 -5.616 3.410 1.00 1.36 C ATOM 111 SG CYS A 58 -14.659 -4.903 4.941 1.00 1.88 S ATOM 0 H CYS A 58 -14.991 -7.212 1.038 1.00 1.35 H new ATOM 0 HA CYS A 58 -14.003 -4.619 2.026 1.00 1.14 H new ATOM 0 HB2 CYS A 58 -16.185 -5.049 3.103 1.00 1.36 H new ATOM 0 HB3 CYS A 58 -15.638 -6.635 3.610 1.00 1.36 H new ATOM 0 HG CYS A 58 -15.583 -4.927 5.855 1.00 1.88 H new ATOM 117 N TYR A 59 -11.937 -5.736 2.673 1.00 0.42 N ATOM 118 CA TYR A 59 -10.675 -6.331 3.093 1.00 0.31 C ATOM 119 C TYR A 59 -9.886 -5.368 3.972 1.00 0.30 C ATOM 120 O TYR A 59 -8.663 -5.366 3.922 1.00 0.33 O ATOM 121 CB TYR A 59 -9.804 -6.719 1.893 1.00 0.67 C ATOM 122 CG TYR A 59 -10.428 -7.738 0.976 1.00 1.01 C ATOM 123 CD1 TYR A 59 -11.221 -7.331 -0.075 1.00 1.22 C ATOM 124 CD2 TYR A 59 -10.217 -9.099 1.156 1.00 1.26 C ATOM 125 CE1 TYR A 59 -11.795 -8.241 -0.929 1.00 1.56 C ATOM 126 CE2 TYR A 59 -10.788 -10.021 0.308 1.00 1.58 C ATOM 127 CZ TYR A 59 -11.576 -9.589 -0.737 1.00 1.66 C ATOM 128 OH TYR A 59 -12.146 -10.504 -1.592 1.00 2.04 O ATOM 0 H TYR A 59 -11.868 -4.753 2.408 1.00 0.42 H new ATOM 0 HA TYR A 59 -10.926 -7.229 3.657 1.00 0.31 H new ATOM 0 HB2 TYR A 59 -9.578 -5.821 1.318 1.00 0.67 H new ATOM 0 HB3 TYR A 59 -8.855 -7.111 2.260 1.00 0.67 H new ATOM 0 HD1 TYR A 59 -11.394 -6.276 -0.230 1.00 1.22 H new ATOM 0 HD2 TYR A 59 -9.597 -9.439 1.972 1.00 1.26 H new ATOM 0 HE1 TYR A 59 -12.414 -7.903 -1.746 1.00 1.56 H new ATOM 0 HE2 TYR A 59 -10.619 -11.077 0.461 1.00 1.58 H new ATOM 0 HH TYR A 59 -11.892 -11.410 -1.318 1.00 2.04 H new ATOM 138 N LYS A 60 -10.574 -4.550 4.773 1.00 0.29 N ATOM 139 CA LYS A 60 -9.916 -3.527 5.566 1.00 0.29 C ATOM 140 C LYS A 60 -8.801 -4.133 6.409 1.00 0.25 C ATOM 141 O LYS A 60 -7.647 -3.731 6.311 1.00 0.26 O ATOM 142 CB LYS A 60 -10.964 -2.867 6.470 1.00 0.37 C ATOM 143 CG LYS A 60 -10.471 -1.643 7.219 1.00 0.57 C ATOM 144 CD LYS A 60 -9.579 -1.988 8.393 1.00 0.43 C ATOM 145 CE LYS A 60 -10.312 -2.749 9.482 1.00 0.76 C ATOM 146 NZ LYS A 60 -9.515 -2.804 10.735 1.00 1.62 N ATOM 0 H LYS A 60 -11.587 -4.582 4.884 1.00 0.29 H new ATOM 0 HA LYS A 60 -9.468 -2.784 4.906 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -11.823 -2.583 5.861 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.315 -3.602 7.194 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -9.924 -0.999 6.531 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.328 -1.073 7.576 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -8.738 -2.585 8.042 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -9.166 -1.071 8.812 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -11.271 -2.271 9.680 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -10.525 -3.762 9.140 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -10.043 -3.331 11.460 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -8.610 -3.282 10.550 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -9.333 -1.838 11.073 1.00 1.62 H new ATOM 160 N LEU A 61 -9.154 -5.125 7.211 1.00 0.25 N ATOM 161 CA LEU A 61 -8.196 -5.789 8.059 1.00 0.25 C ATOM 162 C LEU A 61 -7.009 -6.268 7.265 1.00 0.26 C ATOM 163 O LEU A 61 -5.857 -6.023 7.621 1.00 0.30 O ATOM 164 CB LEU A 61 -8.823 -6.991 8.728 1.00 0.30 C ATOM 165 CG LEU A 61 -8.825 -6.936 10.248 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.185 -8.293 10.830 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.477 -6.441 10.765 1.00 0.63 C ATOM 0 H LEU A 61 -10.105 -5.485 7.287 1.00 0.25 H new ATOM 0 HA LEU A 61 -7.872 -5.064 8.806 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -9.851 -7.090 8.379 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.290 -7.887 8.410 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.585 -6.226 10.574 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.181 -8.235 11.918 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.177 -8.585 10.485 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.455 -9.034 10.504 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.495 -6.407 11.854 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -6.690 -7.119 10.436 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.282 -5.442 10.374 1.00 0.63 H new ATOM 179 N GLU A 62 -7.322 -6.965 6.194 1.00 0.25 N ATOM 180 CA GLU A 62 -6.342 -7.545 5.348 1.00 0.29 C ATOM 181 C GLU A 62 -5.420 -6.491 4.779 1.00 0.23 C ATOM 182 O GLU A 62 -4.207 -6.618 4.859 1.00 0.20 O ATOM 183 CB GLU A 62 -7.038 -8.282 4.232 1.00 0.39 C ATOM 184 CG GLU A 62 -6.408 -9.610 4.005 1.00 0.63 C ATOM 185 CD GLU A 62 -6.586 -10.134 2.597 1.00 1.48 C ATOM 186 OE1 GLU A 62 -7.608 -10.797 2.327 1.00 1.98 O ATOM 187 OE2 GLU A 62 -5.711 -9.868 1.749 1.00 2.20 O ATOM 0 H GLU A 62 -8.282 -7.138 5.896 1.00 0.25 H new ATOM 0 HA GLU A 62 -5.734 -8.237 5.931 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -8.092 -8.411 4.477 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -6.994 -7.692 3.317 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -5.343 -9.539 4.225 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -6.832 -10.328 4.707 1.00 0.63 H new ATOM 194 N ASN A 63 -6.008 -5.445 4.234 1.00 0.22 N ATOM 195 CA ASN A 63 -5.258 -4.408 3.555 1.00 0.19 C ATOM 196 C ASN A 63 -4.382 -3.647 4.524 1.00 0.15 C ATOM 197 O ASN A 63 -3.208 -3.418 4.250 1.00 0.16 O ATOM 198 CB ASN A 63 -6.209 -3.454 2.844 1.00 0.21 C ATOM 199 CG ASN A 63 -6.942 -4.114 1.696 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.463 -5.080 1.117 1.00 0.33 O ATOM 201 ND2 ASN A 63 -8.105 -3.588 1.354 1.00 0.27 N ATOM 0 H ASN A 63 -7.016 -5.290 4.249 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.612 -4.883 2.817 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.935 -3.069 3.560 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.647 -2.599 2.468 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.638 -3.988 0.582 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.470 -2.782 1.862 1.00 0.27 H new ATOM 208 N GLU A 64 -4.951 -3.260 5.654 1.00 0.15 N ATOM 209 CA GLU A 64 -4.204 -2.687 6.734 1.00 0.16 C ATOM 210 C GLU A 64 -3.004 -3.549 7.080 1.00 0.14 C ATOM 211 O GLU A 64 -1.865 -3.090 7.076 1.00 0.17 O ATOM 212 CB GLU A 64 -5.130 -2.592 7.907 1.00 0.21 C ATOM 213 CG GLU A 64 -5.925 -1.319 7.910 1.00 0.30 C ATOM 214 CD GLU A 64 -6.318 -0.796 6.550 1.00 1.20 C ATOM 215 OE1 GLU A 64 -5.507 -0.065 5.955 1.00 1.77 O ATOM 216 OE2 GLU A 64 -7.455 -1.039 6.115 1.00 1.75 O ATOM 0 H GLU A 64 -5.951 -3.340 5.837 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.825 -1.704 6.454 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.812 -3.442 7.897 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.552 -2.658 8.829 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -6.831 -1.478 8.495 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -5.346 -0.551 8.422 1.00 0.30 H new ATOM 223 N LYS A 65 -3.286 -4.813 7.355 1.00 0.13 N ATOM 224 CA LYS A 65 -2.288 -5.773 7.710 1.00 0.14 C ATOM 225 C LYS A 65 -1.241 -5.922 6.613 1.00 0.12 C ATOM 226 O LYS A 65 -0.051 -5.829 6.878 1.00 0.14 O ATOM 227 CB LYS A 65 -2.995 -7.080 7.958 1.00 0.20 C ATOM 228 CG LYS A 65 -2.252 -7.994 8.882 1.00 0.44 C ATOM 229 CD LYS A 65 -1.344 -8.958 8.137 1.00 0.86 C ATOM 230 CE LYS A 65 -2.135 -10.014 7.380 1.00 1.32 C ATOM 231 NZ LYS A 65 -2.768 -11.004 8.294 1.00 1.93 N ATOM 0 H LYS A 65 -4.233 -5.192 7.334 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.754 -5.447 8.603 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -3.981 -6.877 8.376 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -3.150 -7.587 7.005 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -1.656 -7.400 9.575 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -2.966 -8.560 9.480 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -0.720 -8.402 7.438 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -0.673 -9.445 8.845 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -2.906 -9.529 6.782 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -1.474 -10.533 6.686 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 -3.136 -11.803 7.739 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 -2.061 -11.351 8.973 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -3.550 -10.551 8.809 1.00 1.93 H new ATOM 245 N LEU A 66 -1.699 -6.148 5.388 1.00 0.11 N ATOM 246 CA LEU A 66 -0.809 -6.276 4.239 1.00 0.10 C ATOM 247 C LEU A 66 0.052 -5.034 4.102 1.00 0.08 C ATOM 248 O LEU A 66 1.245 -5.122 3.818 1.00 0.08 O ATOM 249 CB LEU A 66 -1.613 -6.478 2.955 1.00 0.10 C ATOM 250 CG LEU A 66 -2.399 -7.781 2.859 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.327 -7.742 1.660 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.451 -8.960 2.752 1.00 0.17 C ATOM 0 H LEU A 66 -2.689 -6.247 5.163 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.171 -7.145 4.399 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.311 -5.647 2.852 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.928 -6.426 2.109 1.00 0.10 H new ATOM 0 HG LEU A 66 -2.998 -7.897 3.763 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.884 -8.677 1.600 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -4.024 -6.911 1.766 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.741 -7.610 0.750 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -2.025 -9.884 2.684 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.833 -8.850 1.861 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.812 -8.994 3.634 1.00 0.17 H new ATOM 264 N PHE A 67 -0.566 -3.880 4.305 1.00 0.07 N ATOM 265 CA PHE A 67 0.143 -2.622 4.298 1.00 0.06 C ATOM 266 C PHE A 67 1.267 -2.641 5.319 1.00 0.06 C ATOM 267 O PHE A 67 2.396 -2.301 5.000 1.00 0.07 O ATOM 268 CB PHE A 67 -0.801 -1.460 4.591 1.00 0.08 C ATOM 269 CG PHE A 67 -0.078 -0.153 4.625 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.631 0.249 3.519 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.085 0.648 5.752 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.336 1.442 3.523 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.609 1.841 5.766 1.00 0.12 C ATOM 274 CZ PHE A 67 1.322 2.236 4.647 1.00 0.09 C ATOM 0 H PHE A 67 -1.568 -3.796 4.478 1.00 0.07 H new ATOM 0 HA PHE A 67 0.566 -2.482 3.303 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.581 -1.424 3.830 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.296 -1.626 5.548 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.639 -0.372 2.636 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.637 0.338 6.627 1.00 0.12 H new ATOM 0 HE1 PHE A 67 1.893 1.747 2.649 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.596 2.465 6.648 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.868 3.168 4.656 1.00 0.09 H new ATOM 284 N GLU A 68 0.947 -3.040 6.545 1.00 0.08 N ATOM 285 CA GLU A 68 1.952 -3.166 7.596 1.00 0.09 C ATOM 286 C GLU A 68 3.016 -4.160 7.186 1.00 0.10 C ATOM 287 O GLU A 68 4.203 -3.915 7.354 1.00 0.12 O ATOM 288 CB GLU A 68 1.328 -3.655 8.903 1.00 0.14 C ATOM 289 CG GLU A 68 0.078 -2.916 9.311 1.00 0.21 C ATOM 290 CD GLU A 68 -0.416 -3.330 10.681 1.00 0.87 C ATOM 291 OE1 GLU A 68 0.345 -3.170 11.659 1.00 1.19 O ATOM 292 OE2 GLU A 68 -1.569 -3.802 10.792 1.00 1.47 O ATOM 0 H GLU A 68 -0.000 -3.282 6.836 1.00 0.08 H new ATOM 0 HA GLU A 68 2.388 -2.179 7.747 1.00 0.09 H new ATOM 0 HB2 GLU A 68 1.093 -4.715 8.805 1.00 0.14 H new ATOM 0 HB3 GLU A 68 2.066 -3.564 9.700 1.00 0.14 H new ATOM 0 HG2 GLU A 68 0.275 -1.844 9.308 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.705 -3.098 8.575 1.00 0.21 H new ATOM 299 N GLU A 69 2.578 -5.268 6.619 1.00 0.10 N ATOM 300 CA GLU A 69 3.475 -6.341 6.222 1.00 0.12 C ATOM 301 C GLU A 69 4.467 -5.841 5.195 1.00 0.11 C ATOM 302 O GLU A 69 5.615 -6.279 5.139 1.00 0.14 O ATOM 303 CB GLU A 69 2.671 -7.489 5.631 1.00 0.15 C ATOM 304 CG GLU A 69 1.776 -8.184 6.626 1.00 0.25 C ATOM 305 CD GLU A 69 2.542 -9.101 7.546 1.00 0.81 C ATOM 306 OE1 GLU A 69 3.176 -10.054 7.058 1.00 1.34 O ATOM 307 OE2 GLU A 69 2.514 -8.867 8.771 1.00 1.21 O ATOM 0 H GLU A 69 1.594 -5.451 6.420 1.00 0.10 H new ATOM 0 HA GLU A 69 4.017 -6.688 7.101 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.061 -7.108 4.812 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.358 -8.219 5.204 1.00 0.15 H new ATOM 0 HG2 GLU A 69 1.248 -7.437 7.219 1.00 0.25 H new ATOM 0 HG3 GLU A 69 1.020 -8.759 6.091 1.00 0.25 H new ATOM 314 N PHE A 70 3.993 -4.937 4.364 1.00 0.09 N ATOM 315 CA PHE A 70 4.804 -4.317 3.361 1.00 0.09 C ATOM 316 C PHE A 70 5.630 -3.197 3.991 1.00 0.08 C ATOM 317 O PHE A 70 6.818 -3.057 3.720 1.00 0.10 O ATOM 318 CB PHE A 70 3.896 -3.785 2.263 1.00 0.09 C ATOM 319 CG PHE A 70 4.612 -3.124 1.141 1.00 0.09 C ATOM 320 CD1 PHE A 70 4.893 -1.785 1.220 1.00 0.12 C ATOM 321 CD2 PHE A 70 4.993 -3.832 0.015 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.545 -1.143 0.196 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.652 -3.195 -1.019 1.00 0.13 C ATOM 324 CZ PHE A 70 5.929 -1.846 -0.927 1.00 0.13 C ATOM 0 H PHE A 70 3.025 -4.615 4.373 1.00 0.09 H new ATOM 0 HA PHE A 70 5.496 -5.039 2.926 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.305 -4.610 1.865 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.196 -3.074 2.700 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.598 -1.228 2.097 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.774 -4.887 -0.056 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.757 -0.087 0.270 1.00 0.14 H new ATOM 0 HE2 PHE A 70 5.949 -3.751 -1.896 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.445 -1.343 -1.731 1.00 0.13 H new ATOM 334 N LEU A 71 4.971 -2.402 4.830 1.00 0.07 N ATOM 335 CA LEU A 71 5.591 -1.294 5.529 1.00 0.08 C ATOM 336 C LEU A 71 6.760 -1.734 6.389 1.00 0.08 C ATOM 337 O LEU A 71 7.870 -1.229 6.256 1.00 0.09 O ATOM 338 CB LEU A 71 4.558 -0.577 6.399 1.00 0.09 C ATOM 339 CG LEU A 71 4.127 0.782 5.872 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.683 1.694 6.993 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.256 1.412 5.115 1.00 0.10 C ATOM 0 H LEU A 71 3.980 -2.516 5.042 1.00 0.07 H new ATOM 0 HA LEU A 71 5.977 -0.614 4.770 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.677 -1.212 6.494 1.00 0.09 H new ATOM 0 HB3 LEU A 71 4.969 -0.451 7.400 1.00 0.09 H new ATOM 0 HG LEU A 71 3.277 0.634 5.206 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.382 2.657 6.581 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.840 1.243 7.516 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.507 1.840 7.691 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.943 2.386 4.739 1.00 0.10 H new ATOM 0 HD22 LEU A 71 6.113 1.537 5.777 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.535 0.772 4.278 1.00 0.10 H new ATOM 353 N GLU A 72 6.492 -2.654 7.292 1.00 0.08 N ATOM 354 CA GLU A 72 7.509 -3.169 8.197 1.00 0.11 C ATOM 355 C GLU A 72 8.586 -3.902 7.426 1.00 0.09 C ATOM 356 O GLU A 72 9.743 -3.936 7.837 1.00 0.12 O ATOM 357 CB GLU A 72 6.862 -4.049 9.249 1.00 0.19 C ATOM 358 CG GLU A 72 5.691 -3.329 9.862 1.00 0.26 C ATOM 359 CD GLU A 72 4.974 -4.102 10.946 1.00 0.59 C ATOM 360 OE1 GLU A 72 4.428 -5.184 10.660 1.00 0.89 O ATOM 361 OE2 GLU A 72 4.936 -3.608 12.089 1.00 1.13 O ATOM 0 H GLU A 72 5.569 -3.067 7.422 1.00 0.08 H new ATOM 0 HA GLU A 72 7.993 -2.337 8.709 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.531 -4.986 8.800 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.589 -4.304 10.020 1.00 0.19 H new ATOM 0 HG2 GLU A 72 6.040 -2.384 10.278 1.00 0.26 H new ATOM 0 HG3 GLU A 72 4.978 -3.087 9.074 1.00 0.26 H new ATOM 368 N LEU A 73 8.196 -4.477 6.300 1.00 0.10 N ATOM 369 CA LEU A 73 9.161 -4.983 5.333 1.00 0.11 C ATOM 370 C LEU A 73 10.041 -3.842 4.855 1.00 0.10 C ATOM 371 O LEU A 73 11.258 -3.931 4.916 1.00 0.12 O ATOM 372 CB LEU A 73 8.434 -5.612 4.141 1.00 0.14 C ATOM 373 CG LEU A 73 9.318 -6.015 2.957 1.00 0.20 C ATOM 374 CD1 LEU A 73 9.948 -7.376 3.174 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.519 -6.005 1.666 1.00 0.46 C ATOM 0 H LEU A 73 7.220 -4.606 6.032 1.00 0.10 H new ATOM 0 HA LEU A 73 9.778 -5.745 5.809 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.902 -6.497 4.490 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.682 -4.907 3.785 1.00 0.14 H new ATOM 0 HG LEU A 73 10.121 -5.282 2.880 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.569 -7.631 2.315 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.564 -7.353 4.073 1.00 0.49 H new ATOM 0 HD13 LEU A 73 9.165 -8.125 3.291 1.00 0.49 H new ATOM 0 HD21 LEU A 73 9.164 -6.294 0.836 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.692 -6.710 1.745 1.00 0.46 H new ATOM 0 HD23 LEU A 73 8.127 -5.004 1.489 1.00 0.46 H new ATOM 387 N CYS A 74 9.412 -2.766 4.391 1.00 0.09 N ATOM 388 CA CYS A 74 10.142 -1.575 3.968 1.00 0.10 C ATOM 389 C CYS A 74 11.098 -1.106 5.056 1.00 0.11 C ATOM 390 O CYS A 74 12.257 -0.845 4.777 1.00 0.14 O ATOM 391 CB CYS A 74 9.180 -0.452 3.583 1.00 0.10 C ATOM 392 SG CYS A 74 8.111 -0.868 2.199 1.00 0.11 S ATOM 0 H CYS A 74 8.399 -2.694 4.298 1.00 0.09 H new ATOM 0 HA CYS A 74 10.729 -1.840 3.088 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.563 -0.201 4.446 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.756 0.439 3.332 1.00 0.10 H new ATOM 0 HG CYS A 74 7.316 -1.838 2.541 1.00 0.11 H new ATOM 398 N LYS A 75 10.638 -1.069 6.306 1.00 0.11 N ATOM 399 CA LYS A 75 11.481 -0.631 7.417 1.00 0.12 C ATOM 400 C LYS A 75 12.746 -1.486 7.492 1.00 0.13 C ATOM 401 O LYS A 75 13.782 -1.059 8.006 1.00 0.16 O ATOM 402 CB LYS A 75 10.715 -0.745 8.735 1.00 0.13 C ATOM 403 CG LYS A 75 9.360 -0.068 8.729 1.00 0.18 C ATOM 404 CD LYS A 75 8.598 -0.384 9.999 1.00 0.20 C ATOM 405 CE LYS A 75 7.166 0.111 9.936 1.00 0.30 C ATOM 406 NZ LYS A 75 6.415 -0.205 11.181 1.00 0.32 N ATOM 0 H LYS A 75 9.691 -1.336 6.574 1.00 0.11 H new ATOM 0 HA LYS A 75 11.760 0.409 7.249 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.580 -1.800 8.973 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.320 -0.313 9.532 1.00 0.13 H new ATOM 0 HG2 LYS A 75 9.487 1.010 8.634 1.00 0.18 H new ATOM 0 HG3 LYS A 75 8.787 -0.399 7.863 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.603 -1.461 10.167 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.103 0.074 10.849 1.00 0.20 H new ATOM 0 HE2 LYS A 75 7.161 1.189 9.773 1.00 0.30 H new ATOM 0 HE3 LYS A 75 6.662 -0.343 9.083 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 5.459 -0.534 10.936 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.913 -0.951 11.707 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 6.347 0.649 11.771 1.00 0.32 H new ATOM 420 N MET A 76 12.642 -2.696 6.960 1.00 0.12 N ATOM 421 CA MET A 76 13.737 -3.647 6.951 1.00 0.13 C ATOM 422 C MET A 76 14.688 -3.407 5.780 1.00 0.14 C ATOM 423 O MET A 76 15.903 -3.511 5.937 1.00 0.16 O ATOM 424 CB MET A 76 13.176 -5.071 6.901 1.00 0.14 C ATOM 425 CG MET A 76 12.408 -5.456 8.152 1.00 0.15 C ATOM 426 SD MET A 76 12.101 -7.229 8.281 1.00 0.21 S ATOM 427 CE MET A 76 10.886 -7.458 6.987 1.00 0.40 C ATOM 0 H MET A 76 11.790 -3.044 6.521 1.00 0.12 H new ATOM 0 HA MET A 76 14.313 -3.512 7.867 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.519 -5.166 6.036 1.00 0.14 H new ATOM 0 HB3 MET A 76 13.997 -5.773 6.756 1.00 0.14 H new ATOM 0 HG2 MET A 76 12.965 -5.126 9.029 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.455 -4.927 8.162 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.792 -8.520 6.760 1.00 0.40 H new ATOM 0 HE2 MET A 76 9.923 -7.071 7.320 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.202 -6.922 6.092 1.00 0.40 H new ATOM 437 N GLN A 77 14.146 -3.067 4.615 1.00 0.14 N ATOM 438 CA GLN A 77 14.952 -2.963 3.407 1.00 0.15 C ATOM 439 C GLN A 77 15.198 -1.523 2.940 1.00 0.16 C ATOM 440 O GLN A 77 16.028 -1.299 2.063 1.00 0.22 O ATOM 441 CB GLN A 77 14.300 -3.757 2.278 1.00 0.19 C ATOM 442 CG GLN A 77 12.932 -4.321 2.608 1.00 0.21 C ATOM 443 CD GLN A 77 12.802 -5.777 2.229 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.415 -6.111 1.113 1.00 0.83 O ATOM 445 NE2 GLN A 77 13.104 -6.653 3.170 1.00 0.25 N ATOM 0 H GLN A 77 13.156 -2.860 4.483 1.00 0.14 H new ATOM 0 HA GLN A 77 15.928 -3.376 3.662 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.211 -3.113 1.403 1.00 0.19 H new ATOM 0 HB3 GLN A 77 14.960 -4.579 2.002 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.744 -4.208 3.676 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.169 -3.743 2.087 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.422 -6.330 4.084 1.00 0.25 H new ATOM 0 HE22 GLN A 77 13.019 -7.652 2.983 1.00 0.25 H new ATOM 454 N THR A 78 14.498 -0.549 3.503 1.00 0.17 N ATOM 455 CA THR A 78 14.630 0.824 3.032 1.00 0.22 C ATOM 456 C THR A 78 15.386 1.679 4.034 1.00 0.30 C ATOM 457 O THR A 78 14.956 2.781 4.357 1.00 0.32 O ATOM 458 CB THR A 78 13.263 1.495 2.751 1.00 0.17 C ATOM 459 OG1 THR A 78 12.517 1.652 3.962 1.00 0.14 O ATOM 460 CG2 THR A 78 12.443 0.687 1.762 1.00 0.22 C ATOM 0 H THR A 78 13.843 -0.679 4.274 1.00 0.17 H new ATOM 0 HA THR A 78 15.185 0.761 2.096 1.00 0.22 H new ATOM 0 HB THR A 78 13.468 2.475 2.320 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.546 0.817 4.474 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.490 1.186 1.587 1.00 0.22 H new ATOM 0 HG22 THR A 78 12.987 0.603 0.821 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.263 -0.309 2.167 1.00 0.22 H new ATOM 468 N ALA A 79 16.493 1.173 4.548 1.00 0.38 N ATOM 469 CA ALA A 79 17.332 1.948 5.452 1.00 0.50 C ATOM 470 C ALA A 79 17.800 3.249 4.817 1.00 0.52 C ATOM 471 O ALA A 79 17.897 4.278 5.487 1.00 0.55 O ATOM 472 CB ALA A 79 18.528 1.122 5.865 1.00 0.67 C ATOM 0 H ALA A 79 16.834 0.231 4.357 1.00 0.38 H new ATOM 0 HA ALA A 79 16.734 2.204 6.327 1.00 0.50 H new ATOM 0 HB1 ALA A 79 19.155 1.703 6.541 1.00 0.67 H new ATOM 0 HB2 ALA A 79 18.189 0.218 6.371 1.00 0.67 H new ATOM 0 HB3 ALA A 79 19.104 0.848 4.981 1.00 0.67 H new ATOM 478 N ASP A 80 18.089 3.204 3.523 1.00 0.53 N ATOM 479 CA ASP A 80 18.552 4.387 2.809 1.00 0.57 C ATOM 480 C ASP A 80 17.379 5.314 2.515 1.00 0.52 C ATOM 481 O ASP A 80 17.549 6.498 2.223 1.00 0.57 O ATOM 482 CB ASP A 80 19.241 3.981 1.504 1.00 0.65 C ATOM 483 CG ASP A 80 19.914 5.144 0.800 1.00 1.21 C ATOM 484 OD1 ASP A 80 21.069 5.472 1.144 1.00 1.94 O ATOM 485 OD2 ASP A 80 19.284 5.748 -0.094 1.00 1.46 O ATOM 0 H ASP A 80 18.012 2.365 2.948 1.00 0.53 H new ATOM 0 HA ASP A 80 19.271 4.915 3.435 1.00 0.57 H new ATOM 0 HB2 ASP A 80 19.985 3.213 1.716 1.00 0.65 H new ATOM 0 HB3 ASP A 80 18.505 3.536 0.835 1.00 0.65 H new ATOM 490 N HIS A 81 16.179 4.761 2.615 1.00 0.43 N ATOM 491 CA HIS A 81 14.956 5.521 2.363 1.00 0.38 C ATOM 492 C HIS A 81 13.968 5.363 3.513 1.00 0.29 C ATOM 493 O HIS A 81 12.892 4.795 3.341 1.00 0.23 O ATOM 494 CB HIS A 81 14.295 5.072 1.052 1.00 0.41 C ATOM 495 CG HIS A 81 15.054 5.459 -0.182 1.00 0.61 C ATOM 496 ND1 HIS A 81 14.712 6.533 -0.971 1.00 0.99 N ATOM 497 CD2 HIS A 81 16.142 4.900 -0.764 1.00 0.70 C ATOM 498 CE1 HIS A 81 15.554 6.617 -1.985 1.00 1.08 C ATOM 499 NE2 HIS A 81 16.433 5.639 -1.883 1.00 0.86 N ATOM 0 H HIS A 81 16.022 3.786 2.870 1.00 0.43 H new ATOM 0 HA HIS A 81 15.234 6.572 2.279 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.179 3.988 1.069 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.294 5.499 0.998 1.00 0.41 H new ATOM 0 HD2 HIS A 81 16.681 4.033 -0.412 1.00 0.70 H new ATOM 0 HE1 HIS A 81 15.527 7.362 -2.767 1.00 1.08 H new ATOM 0 HE2 HIS A 81 17.202 5.461 -2.529 1.00 0.86 H new ATOM 508 N PRO A 82 14.318 5.868 4.699 1.00 0.32 N ATOM 509 CA PRO A 82 13.465 5.762 5.881 1.00 0.29 C ATOM 510 C PRO A 82 12.193 6.591 5.757 1.00 0.26 C ATOM 511 O PRO A 82 11.209 6.333 6.440 1.00 0.29 O ATOM 512 CB PRO A 82 14.346 6.293 7.006 1.00 0.38 C ATOM 513 CG PRO A 82 15.350 7.162 6.343 1.00 0.44 C ATOM 514 CD PRO A 82 15.575 6.576 4.989 1.00 0.41 C ATOM 0 HA PRO A 82 13.119 4.741 6.042 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.759 6.854 7.733 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.827 5.478 7.546 1.00 0.38 H new ATOM 0 HG2 PRO A 82 14.989 8.188 6.269 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.278 7.191 6.914 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.779 7.349 4.248 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.427 5.896 4.984 1.00 0.41 H new ATOM 522 N GLU A 83 12.220 7.577 4.865 1.00 0.23 N ATOM 523 CA GLU A 83 11.062 8.434 4.617 1.00 0.21 C ATOM 524 C GLU A 83 9.985 7.688 3.844 1.00 0.17 C ATOM 525 O GLU A 83 8.843 8.134 3.760 1.00 0.18 O ATOM 526 CB GLU A 83 11.480 9.657 3.818 1.00 0.28 C ATOM 527 CG GLU A 83 12.110 9.276 2.510 1.00 0.46 C ATOM 528 CD GLU A 83 12.662 10.459 1.750 1.00 0.55 C ATOM 529 OE1 GLU A 83 13.606 11.105 2.250 1.00 0.95 O ATOM 530 OE2 GLU A 83 12.170 10.734 0.635 1.00 1.01 O ATOM 0 H GLU A 83 13.037 7.804 4.298 1.00 0.23 H new ATOM 0 HA GLU A 83 10.660 8.738 5.584 1.00 0.21 H new ATOM 0 HB2 GLU A 83 10.609 10.286 3.633 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.184 10.250 4.402 1.00 0.28 H new ATOM 0 HG2 GLU A 83 12.914 8.564 2.695 1.00 0.46 H new ATOM 0 HG3 GLU A 83 11.370 8.768 1.892 1.00 0.46 H new ATOM 537 N VAL A 84 10.371 6.557 3.277 1.00 0.15 N ATOM 538 CA VAL A 84 9.496 5.760 2.448 1.00 0.14 C ATOM 539 C VAL A 84 8.311 5.233 3.240 1.00 0.11 C ATOM 540 O VAL A 84 7.187 5.240 2.756 1.00 0.11 O ATOM 541 CB VAL A 84 10.301 4.615 1.802 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.491 3.352 1.689 1.00 0.16 C ATOM 543 CG2 VAL A 84 10.817 5.046 0.440 1.00 0.21 C ATOM 0 H VAL A 84 11.308 6.167 3.383 1.00 0.15 H new ATOM 0 HA VAL A 84 9.089 6.390 1.657 1.00 0.14 H new ATOM 0 HB VAL A 84 11.148 4.395 2.452 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.097 2.571 1.229 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.178 3.030 2.682 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.610 3.538 1.074 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.384 4.231 -0.009 1.00 0.21 H new ATOM 0 HG22 VAL A 84 9.975 5.300 -0.204 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.462 5.917 0.554 1.00 0.21 H new ATOM 553 N VAL A 85 8.569 4.800 4.456 1.00 0.09 N ATOM 554 CA VAL A 85 7.519 4.318 5.320 1.00 0.09 C ATOM 555 C VAL A 85 6.520 5.420 5.662 1.00 0.10 C ATOM 556 O VAL A 85 5.333 5.242 5.456 1.00 0.10 O ATOM 557 CB VAL A 85 8.111 3.693 6.584 1.00 0.10 C ATOM 558 CG1 VAL A 85 7.039 3.466 7.623 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.821 2.405 6.217 1.00 0.11 C ATOM 0 H VAL A 85 9.502 4.773 4.867 1.00 0.09 H new ATOM 0 HA VAL A 85 6.970 3.546 4.781 1.00 0.09 H new ATOM 0 HB VAL A 85 8.837 4.376 7.024 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.483 3.021 8.513 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.579 4.419 7.885 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.280 2.794 7.222 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.245 1.955 7.115 1.00 0.11 H new ATOM 0 HG22 VAL A 85 8.110 1.713 5.766 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.619 2.619 5.507 1.00 0.11 H new ATOM 569 N PRO A 86 6.975 6.559 6.203 1.00 0.12 N ATOM 570 CA PRO A 86 6.127 7.734 6.393 1.00 0.14 C ATOM 571 C PRO A 86 5.377 8.124 5.123 1.00 0.14 C ATOM 572 O PRO A 86 4.213 8.489 5.184 1.00 0.18 O ATOM 573 CB PRO A 86 7.082 8.854 6.782 1.00 0.18 C ATOM 574 CG PRO A 86 8.416 8.229 7.006 1.00 0.18 C ATOM 575 CD PRO A 86 8.320 6.757 6.728 1.00 0.14 C ATOM 0 HA PRO A 86 5.365 7.535 7.146 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.136 9.606 5.995 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.737 9.360 7.684 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.160 8.687 6.355 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.743 8.398 8.032 1.00 0.18 H new ATOM 0 HD2 PRO A 86 9.075 6.441 6.008 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.480 6.173 7.634 1.00 0.14 H new ATOM 583 N PHE A 87 6.050 8.031 3.974 1.00 0.13 N ATOM 584 CA PHE A 87 5.449 8.345 2.679 1.00 0.14 C ATOM 585 C PHE A 87 4.372 7.324 2.355 1.00 0.12 C ATOM 586 O PHE A 87 3.309 7.652 1.823 1.00 0.12 O ATOM 587 CB PHE A 87 6.542 8.314 1.601 1.00 0.18 C ATOM 588 CG PHE A 87 6.105 8.716 0.217 1.00 0.35 C ATOM 589 CD1 PHE A 87 4.873 9.299 -0.001 1.00 0.35 C ATOM 590 CD2 PHE A 87 6.946 8.512 -0.864 1.00 0.85 C ATOM 591 CE1 PHE A 87 4.480 9.672 -1.271 1.00 0.43 C ATOM 592 CE2 PHE A 87 6.560 8.879 -2.139 1.00 1.01 C ATOM 593 CZ PHE A 87 5.325 9.461 -2.343 1.00 0.69 C ATOM 0 H PHE A 87 7.025 7.736 3.917 1.00 0.13 H new ATOM 0 HA PHE A 87 4.997 9.336 2.711 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.352 8.973 1.912 1.00 0.18 H new ATOM 0 HB3 PHE A 87 6.952 7.305 1.554 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.207 9.466 0.833 1.00 0.35 H new ATOM 0 HD2 PHE A 87 7.915 8.061 -0.709 1.00 0.85 H new ATOM 0 HE1 PHE A 87 3.513 10.128 -1.426 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.223 8.711 -2.974 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.020 9.750 -3.338 1.00 0.69 H new ATOM 603 N LEU A 88 4.630 6.102 2.766 1.00 0.10 N ATOM 604 CA LEU A 88 3.742 5.003 2.502 1.00 0.09 C ATOM 605 C LEU A 88 2.557 5.142 3.410 1.00 0.08 C ATOM 606 O LEU A 88 1.401 5.076 2.993 1.00 0.09 O ATOM 607 CB LEU A 88 4.445 3.696 2.815 1.00 0.09 C ATOM 608 CG LEU A 88 4.892 2.891 1.615 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.740 1.732 2.062 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.694 2.390 0.849 1.00 0.10 C ATOM 0 H LEU A 88 5.465 5.847 3.294 1.00 0.10 H new ATOM 0 HA LEU A 88 3.436 5.008 1.456 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.318 3.912 3.431 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.776 3.079 3.415 1.00 0.09 H new ATOM 0 HG LEU A 88 5.483 3.532 0.961 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.058 1.157 1.192 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.617 2.105 2.591 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.160 1.092 2.728 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.029 1.812 -0.012 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.087 1.758 1.496 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.099 3.238 0.508 1.00 0.10 H new ATOM 622 N TYR A 89 2.891 5.371 4.666 1.00 0.08 N ATOM 623 CA TYR A 89 1.937 5.522 5.717 1.00 0.09 C ATOM 624 C TYR A 89 1.008 6.669 5.393 1.00 0.09 C ATOM 625 O TYR A 89 -0.200 6.542 5.451 1.00 0.11 O ATOM 626 CB TYR A 89 2.680 5.827 7.015 1.00 0.10 C ATOM 627 CG TYR A 89 2.400 4.844 8.102 1.00 0.13 C ATOM 628 CD1 TYR A 89 1.118 4.415 8.307 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.406 4.355 8.918 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.815 3.516 9.291 1.00 0.19 C ATOM 631 CE2 TYR A 89 3.127 3.448 9.914 1.00 0.20 C ATOM 632 CZ TYR A 89 1.824 3.027 10.104 1.00 0.22 C ATOM 633 OH TYR A 89 1.533 2.120 11.102 1.00 0.27 O ATOM 0 H TYR A 89 3.858 5.457 4.978 1.00 0.08 H new ATOM 0 HA TYR A 89 1.357 4.606 5.825 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.752 5.843 6.817 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.404 6.825 7.357 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.327 4.795 7.677 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.422 4.690 8.771 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.204 3.189 9.434 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.919 3.068 10.542 1.00 0.20 H new ATOM 0 HH TYR A 89 2.356 1.880 11.576 1.00 0.27 H new ATOM 643 N ASN A 90 1.618 7.781 5.036 1.00 0.09 N ATOM 644 CA ASN A 90 0.924 8.992 4.643 1.00 0.09 C ATOM 645 C ASN A 90 -0.053 8.726 3.519 1.00 0.09 C ATOM 646 O ASN A 90 -1.242 8.971 3.669 1.00 0.10 O ATOM 647 CB ASN A 90 1.979 10.000 4.217 1.00 0.11 C ATOM 648 CG ASN A 90 1.454 11.159 3.418 1.00 0.24 C ATOM 649 OD1 ASN A 90 0.824 12.068 3.949 1.00 0.43 O ATOM 650 ND2 ASN A 90 1.771 11.150 2.138 1.00 0.40 N ATOM 0 H ASN A 90 2.634 7.870 5.010 1.00 0.09 H new ATOM 0 HA ASN A 90 0.339 9.378 5.478 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.474 10.385 5.108 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.738 9.484 3.628 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.490 11.925 1.538 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.297 10.368 1.748 1.00 0.40 H new ATOM 657 N ARG A 91 0.453 8.212 2.406 1.00 0.08 N ATOM 658 CA ARG A 91 -0.392 7.880 1.261 1.00 0.10 C ATOM 659 C ARG A 91 -1.560 6.998 1.687 1.00 0.09 C ATOM 660 O ARG A 91 -2.695 7.207 1.277 1.00 0.11 O ATOM 661 CB ARG A 91 0.429 7.157 0.188 1.00 0.13 C ATOM 662 CG ARG A 91 1.282 8.076 -0.661 1.00 0.16 C ATOM 663 CD ARG A 91 0.415 9.074 -1.399 1.00 0.29 C ATOM 664 NE ARG A 91 1.207 10.140 -2.003 1.00 0.88 N ATOM 665 CZ ARG A 91 1.118 11.422 -1.653 1.00 1.05 C ATOM 666 NH1 ARG A 91 0.228 11.806 -0.748 1.00 1.35 N ATOM 667 NH2 ARG A 91 1.915 12.322 -2.206 1.00 1.64 N ATOM 0 H ARG A 91 1.444 8.015 2.269 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.785 8.810 0.851 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.074 6.424 0.672 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.249 6.604 -0.462 1.00 0.13 H new ATOM 0 HG2 ARG A 91 1.997 8.604 -0.030 1.00 0.16 H new ATOM 0 HG3 ARG A 91 1.859 7.489 -1.375 1.00 0.16 H new ATOM 0 HD2 ARG A 91 -0.152 8.559 -2.174 1.00 0.29 H new ATOM 0 HD3 ARG A 91 -0.309 9.506 -0.709 1.00 0.29 H new ATOM 0 HE ARG A 91 1.869 9.888 -2.737 1.00 0.88 H new ATOM 0 HH11 ARG A 91 -0.391 11.119 -0.318 1.00 1.35 H new ATOM 0 HH12 ARG A 91 0.162 12.789 -0.482 1.00 1.35 H new ATOM 0 HH21 ARG A 91 2.601 12.035 -2.904 1.00 1.64 H new ATOM 0 HH22 ARG A 91 1.843 13.303 -1.935 1.00 1.64 H new ATOM 681 N GLN A 92 -1.252 6.026 2.523 1.00 0.09 N ATOM 682 CA GLN A 92 -2.219 5.048 2.990 1.00 0.12 C ATOM 683 C GLN A 92 -3.224 5.688 3.943 1.00 0.11 C ATOM 684 O GLN A 92 -4.430 5.497 3.816 1.00 0.13 O ATOM 685 CB GLN A 92 -1.446 3.934 3.684 1.00 0.18 C ATOM 686 CG GLN A 92 -2.078 2.563 3.603 1.00 0.35 C ATOM 687 CD GLN A 92 -3.003 2.263 4.752 1.00 0.42 C ATOM 688 OE1 GLN A 92 -2.926 2.879 5.817 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.805 1.242 4.573 1.00 0.36 N ATOM 0 H GLN A 92 -0.315 5.890 2.902 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.788 4.648 2.151 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.447 3.882 3.250 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.324 4.198 4.734 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -2.633 2.481 2.668 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.291 1.809 3.573 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.831 0.766 3.671 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -4.403 0.923 5.335 1.00 0.36 H new ATOM 698 N GLN A 93 -2.705 6.464 4.881 1.00 0.12 N ATOM 699 CA GLN A 93 -3.515 7.144 5.884 1.00 0.14 C ATOM 700 C GLN A 93 -4.493 8.123 5.239 1.00 0.16 C ATOM 701 O GLN A 93 -5.644 8.244 5.668 1.00 0.20 O ATOM 702 CB GLN A 93 -2.607 7.886 6.875 1.00 0.15 C ATOM 703 CG GLN A 93 -1.898 6.979 7.869 1.00 0.15 C ATOM 704 CD GLN A 93 -2.815 5.981 8.546 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.428 6.266 9.574 1.00 0.28 O ATOM 706 NE2 GLN A 93 -2.876 4.785 7.988 1.00 0.22 N ATOM 0 H GLN A 93 -1.705 6.642 4.970 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.095 6.390 6.417 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.859 8.448 6.315 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.205 8.612 7.425 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.105 6.438 7.352 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.419 7.594 8.631 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.351 4.593 7.135 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.448 4.054 8.410 1.00 0.22 H new ATOM 715 N ARG A 94 -4.029 8.809 4.204 1.00 0.14 N ATOM 716 CA ARG A 94 -4.814 9.851 3.551 1.00 0.15 C ATOM 717 C ARG A 94 -5.593 9.310 2.354 1.00 0.14 C ATOM 718 O ARG A 94 -6.303 10.052 1.668 1.00 0.19 O ATOM 719 CB ARG A 94 -3.885 10.969 3.118 1.00 0.21 C ATOM 720 CG ARG A 94 -2.983 10.605 1.960 1.00 0.76 C ATOM 721 CD ARG A 94 -1.753 11.499 1.920 1.00 0.64 C ATOM 722 NE ARG A 94 -2.105 12.910 1.726 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.912 13.873 2.634 1.00 1.04 C ATOM 724 NH1 ARG A 94 -1.431 13.583 3.833 1.00 1.60 N ATOM 725 NH2 ARG A 94 -2.223 15.126 2.342 1.00 1.40 N ATOM 0 H ARG A 94 -3.106 8.662 3.795 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.547 10.230 4.263 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.483 11.837 2.841 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -3.268 11.264 3.967 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.676 9.563 2.048 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.533 10.697 1.024 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -1.195 11.389 2.850 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -1.096 11.175 1.113 1.00 0.64 H new ATOM 0 HE ARG A 94 -2.527 13.175 0.836 1.00 0.86 H new ATOM 0 HH11 ARG A 94 -1.204 12.618 4.072 1.00 1.60 H new ATOM 0 HH12 ARG A 94 -1.288 14.325 4.518 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -2.609 15.356 1.426 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -2.077 15.862 3.033 1.00 1.40 H new ATOM 739 N ALA A 95 -5.464 8.018 2.118 1.00 0.12 N ATOM 740 CA ALA A 95 -6.180 7.365 1.029 1.00 0.12 C ATOM 741 C ALA A 95 -7.632 7.145 1.412 1.00 0.13 C ATOM 742 O ALA A 95 -8.025 7.384 2.557 1.00 0.17 O ATOM 743 CB ALA A 95 -5.529 6.042 0.665 1.00 0.13 C ATOM 0 H ALA A 95 -4.869 7.395 2.665 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.138 8.017 0.157 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.083 5.576 -0.150 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.500 6.217 0.351 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.536 5.382 1.533 1.00 0.13 H new ATOM 749 N HIS A 96 -8.438 6.707 0.457 1.00 0.12 N ATOM 750 CA HIS A 96 -9.842 6.453 0.710 1.00 0.13 C ATOM 751 C HIS A 96 -10.012 5.209 1.557 1.00 0.13 C ATOM 752 O HIS A 96 -9.577 4.129 1.169 1.00 0.12 O ATOM 753 CB HIS A 96 -10.582 6.259 -0.608 1.00 0.14 C ATOM 754 CG HIS A 96 -12.027 6.611 -0.521 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.836 6.039 0.420 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.744 7.499 -1.248 1.00 0.23 C ATOM 757 CE1 HIS A 96 -14.023 6.583 0.253 1.00 0.23 C ATOM 758 NE2 HIS A 96 -14.018 7.476 -0.747 1.00 0.25 N ATOM 0 H HIS A 96 -8.140 6.521 -0.501 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.253 7.311 1.242 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.110 6.871 -1.377 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.485 5.220 -0.923 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.382 8.107 -2.064 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.892 6.340 0.847 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.810 8.031 -1.072 1.00 0.25 H new ATOM 766 N SER A 97 -10.639 5.378 2.714 1.00 0.16 N ATOM 767 CA SER A 97 -10.930 4.273 3.613 1.00 0.20 C ATOM 768 C SER A 97 -11.690 3.157 2.892 1.00 0.18 C ATOM 769 O SER A 97 -11.483 1.981 3.180 1.00 0.18 O ATOM 770 CB SER A 97 -11.732 4.783 4.816 1.00 0.29 C ATOM 771 OG SER A 97 -12.074 3.736 5.711 1.00 1.32 O ATOM 0 H SER A 97 -10.959 6.285 3.054 1.00 0.16 H new ATOM 0 HA SER A 97 -9.987 3.854 3.964 1.00 0.20 H new ATOM 0 HB2 SER A 97 -11.150 5.537 5.346 1.00 0.29 H new ATOM 0 HB3 SER A 97 -12.641 5.271 4.465 1.00 0.29 H new ATOM 0 HG SER A 97 -12.583 4.103 6.464 1.00 1.32 H new ATOM 777 N LEU A 98 -12.568 3.521 1.954 1.00 0.18 N ATOM 778 CA LEU A 98 -13.249 2.533 1.125 1.00 0.18 C ATOM 779 C LEU A 98 -12.259 1.735 0.304 1.00 0.15 C ATOM 780 O LEU A 98 -12.353 0.519 0.214 1.00 0.18 O ATOM 781 CB LEU A 98 -14.223 3.203 0.173 1.00 0.21 C ATOM 782 CG LEU A 98 -15.558 3.618 0.777 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.468 4.147 -0.314 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.208 2.456 1.509 1.00 0.61 C ATOM 0 H LEU A 98 -12.821 4.489 1.753 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.788 1.868 1.800 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.743 4.088 -0.245 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.416 2.524 -0.657 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.384 4.409 1.506 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.423 4.443 0.120 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -16.002 5.010 -0.790 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.634 3.368 -1.058 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.160 2.779 1.931 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.380 1.637 0.811 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.551 2.118 2.311 1.00 0.61 H new ATOM 796 N PHE A 99 -11.310 2.441 -0.284 1.00 0.12 N ATOM 797 CA PHE A 99 -10.282 1.813 -1.104 1.00 0.11 C ATOM 798 C PHE A 99 -9.359 0.973 -0.232 1.00 0.11 C ATOM 799 O PHE A 99 -8.987 -0.143 -0.591 1.00 0.12 O ATOM 800 CB PHE A 99 -9.464 2.861 -1.861 1.00 0.12 C ATOM 801 CG PHE A 99 -8.240 2.285 -2.509 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.362 1.370 -3.534 1.00 0.15 C ATOM 803 CD2 PHE A 99 -6.972 2.647 -2.082 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.244 0.819 -4.129 1.00 0.18 C ATOM 805 CE2 PHE A 99 -5.849 2.104 -2.674 1.00 0.20 C ATOM 806 CZ PHE A 99 -5.985 1.188 -3.699 1.00 0.18 C ATOM 0 H PHE A 99 -11.227 3.455 -0.210 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.777 1.171 -1.833 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.091 3.323 -2.624 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.167 3.651 -1.171 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.345 1.081 -3.876 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -6.861 3.360 -1.279 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.354 0.101 -4.929 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -4.865 2.395 -2.336 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.108 0.761 -4.163 1.00 0.18 H new ATOM 816 N LEU A 100 -9.002 1.518 0.917 1.00 0.12 N ATOM 817 CA LEU A 100 -8.170 0.816 1.879 1.00 0.14 C ATOM 818 C LEU A 100 -8.877 -0.433 2.386 1.00 0.16 C ATOM 819 O LEU A 100 -8.249 -1.353 2.881 1.00 0.21 O ATOM 820 CB LEU A 100 -7.839 1.746 3.038 1.00 0.17 C ATOM 821 CG LEU A 100 -7.149 3.035 2.632 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.325 4.082 3.714 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.684 2.772 2.367 1.00 0.22 C ATOM 0 H LEU A 100 -9.279 2.455 1.209 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.245 0.507 1.391 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -8.761 1.992 3.565 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.201 1.214 3.744 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.602 3.413 1.716 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -6.826 5.003 3.413 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.387 4.276 3.863 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -6.888 3.720 4.645 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.194 3.701 2.076 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.215 2.382 3.270 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.585 2.043 1.563 1.00 0.22 H new ATOM 835 N ALA A 101 -10.189 -0.459 2.250 1.00 0.16 N ATOM 836 CA ALA A 101 -10.964 -1.638 2.597 1.00 0.19 C ATOM 837 C ALA A 101 -11.503 -2.327 1.349 1.00 0.21 C ATOM 838 O ALA A 101 -12.317 -3.246 1.445 1.00 0.37 O ATOM 839 CB ALA A 101 -12.110 -1.264 3.524 1.00 0.23 C ATOM 0 H ALA A 101 -10.743 0.324 1.901 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.303 -2.335 3.113 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -12.681 -2.158 3.775 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -11.710 -0.821 4.436 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -12.761 -0.545 3.026 1.00 0.23 H new ATOM 845 N SER A 102 -11.037 -1.909 0.179 1.00 0.13 N ATOM 846 CA SER A 102 -11.566 -2.439 -1.070 1.00 0.15 C ATOM 847 C SER A 102 -10.710 -3.587 -1.584 1.00 0.17 C ATOM 848 O SER A 102 -9.552 -3.753 -1.184 1.00 0.25 O ATOM 849 CB SER A 102 -11.666 -1.341 -2.133 1.00 0.18 C ATOM 850 OG SER A 102 -10.389 -0.999 -2.640 1.00 1.40 O ATOM 0 H SER A 102 -10.301 -1.211 0.069 1.00 0.13 H new ATOM 0 HA SER A 102 -12.567 -2.819 -0.867 1.00 0.15 H new ATOM 0 HB2 SER A 102 -12.305 -1.679 -2.949 1.00 0.18 H new ATOM 0 HB3 SER A 102 -12.138 -0.457 -1.703 1.00 0.18 H new ATOM 0 HG SER A 102 -9.747 -0.949 -1.902 1.00 1.40 H new ATOM 856 N ALA A 103 -11.301 -4.379 -2.461 1.00 0.20 N ATOM 857 CA ALA A 103 -10.620 -5.503 -3.081 1.00 0.21 C ATOM 858 C ALA A 103 -9.385 -5.057 -3.853 1.00 0.18 C ATOM 859 O ALA A 103 -8.366 -5.742 -3.853 1.00 0.19 O ATOM 860 CB ALA A 103 -11.576 -6.225 -4.007 1.00 0.27 C ATOM 0 H ALA A 103 -12.268 -4.261 -2.764 1.00 0.20 H new ATOM 0 HA ALA A 103 -10.289 -6.177 -2.290 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -11.065 -7.068 -4.472 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.431 -6.588 -3.436 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.922 -5.539 -4.780 1.00 0.27 H new ATOM 866 N GLU A 104 -9.491 -3.912 -4.518 1.00 0.17 N ATOM 867 CA GLU A 104 -8.406 -3.410 -5.354 1.00 0.17 C ATOM 868 C GLU A 104 -7.115 -3.229 -4.567 1.00 0.14 C ATOM 869 O GLU A 104 -6.049 -3.618 -5.036 1.00 0.14 O ATOM 870 CB GLU A 104 -8.782 -2.097 -6.004 1.00 0.22 C ATOM 871 CG GLU A 104 -7.954 -1.807 -7.238 1.00 0.30 C ATOM 872 CD GLU A 104 -8.341 -0.512 -7.920 1.00 0.97 C ATOM 873 OE1 GLU A 104 -9.317 -0.504 -8.692 1.00 1.29 O ATOM 874 OE2 GLU A 104 -7.667 0.513 -7.674 1.00 1.70 O ATOM 0 H GLU A 104 -10.317 -3.314 -4.495 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.237 -4.161 -6.126 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.838 -2.118 -6.275 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.653 -1.288 -5.285 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -6.901 -1.764 -6.960 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -8.064 -2.630 -7.944 1.00 0.30 H new ATOM 881 N PHE A 105 -7.196 -2.653 -3.373 1.00 0.13 N ATOM 882 CA PHE A 105 -6.007 -2.450 -2.565 1.00 0.13 C ATOM 883 C PHE A 105 -5.440 -3.793 -2.137 1.00 0.12 C ATOM 884 O PHE A 105 -4.232 -3.974 -2.108 1.00 0.13 O ATOM 885 CB PHE A 105 -6.320 -1.588 -1.339 1.00 0.13 C ATOM 886 CG PHE A 105 -5.091 -1.129 -0.612 1.00 0.12 C ATOM 887 CD1 PHE A 105 -3.963 -0.778 -1.323 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.061 -1.047 0.771 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.822 -0.350 -0.678 1.00 0.13 C ATOM 890 CE2 PHE A 105 -3.921 -0.620 1.423 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.800 -0.272 0.696 1.00 0.14 C ATOM 0 H PHE A 105 -8.063 -2.323 -2.950 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.265 -1.924 -3.165 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.896 -0.717 -1.652 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.949 -2.156 -0.654 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.973 -0.839 -2.401 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -5.936 -1.319 1.343 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.947 -0.077 -1.250 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -3.906 -0.558 2.501 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.907 0.061 1.205 1.00 0.14 H new ATOM 901 N CYS A 106 -6.328 -4.738 -1.838 1.00 0.13 N ATOM 902 CA CYS A 106 -5.919 -6.097 -1.502 1.00 0.15 C ATOM 903 C CYS A 106 -5.149 -6.691 -2.666 1.00 0.15 C ATOM 904 O CYS A 106 -4.086 -7.292 -2.492 1.00 0.16 O ATOM 905 CB CYS A 106 -7.147 -6.959 -1.178 1.00 0.19 C ATOM 906 SG CYS A 106 -6.776 -8.697 -0.855 1.00 0.29 S ATOM 0 H CYS A 106 -7.337 -4.586 -1.822 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.278 -6.073 -0.621 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.650 -6.540 -0.307 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.848 -6.899 -2.011 1.00 0.19 H new ATOM 0 HG CYS A 106 -6.318 -8.825 0.355 1.00 0.29 H new ATOM 912 N ASN A 107 -5.708 -6.502 -3.854 1.00 0.14 N ATOM 913 CA ASN A 107 -5.078 -6.911 -5.102 1.00 0.16 C ATOM 914 C ASN A 107 -3.677 -6.336 -5.203 1.00 0.15 C ATOM 915 O ASN A 107 -2.693 -7.068 -5.252 1.00 0.17 O ATOM 916 CB ASN A 107 -5.912 -6.399 -6.279 1.00 0.18 C ATOM 917 CG ASN A 107 -6.161 -7.455 -7.337 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.336 -8.341 -7.556 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.306 -7.369 -7.997 1.00 0.34 N ATOM 0 H ASN A 107 -6.617 -6.058 -3.979 1.00 0.14 H new ATOM 0 HA ASN A 107 -5.019 -7.999 -5.125 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.869 -6.034 -5.906 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.403 -5.550 -6.735 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.531 -8.054 -8.718 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -7.962 -6.618 -7.784 1.00 0.34 H new ATOM 926 N ILE A 108 -3.615 -5.017 -5.157 1.00 0.13 N ATOM 927 CA ILE A 108 -2.388 -4.262 -5.347 1.00 0.13 C ATOM 928 C ILE A 108 -1.357 -4.613 -4.282 1.00 0.11 C ATOM 929 O ILE A 108 -0.170 -4.764 -4.565 1.00 0.12 O ATOM 930 CB ILE A 108 -2.739 -2.764 -5.273 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.529 -2.353 -6.515 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.508 -1.900 -5.091 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.349 -1.098 -6.316 1.00 0.17 C ATOM 0 H ILE A 108 -4.431 -4.429 -4.983 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.952 -4.507 -6.315 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.362 -2.606 -4.392 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.837 -2.198 -7.342 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.192 -3.170 -6.802 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.803 -0.852 -5.044 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -1.003 -2.177 -4.166 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.831 -2.049 -5.932 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.884 -0.863 -7.236 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -5.065 -1.255 -5.510 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.689 -0.269 -6.059 1.00 0.17 H new ATOM 945 N LEU A 109 -1.837 -4.746 -3.066 1.00 0.09 N ATOM 946 CA LEU A 109 -1.012 -5.104 -1.927 1.00 0.08 C ATOM 947 C LEU A 109 -0.402 -6.477 -2.077 1.00 0.09 C ATOM 948 O LEU A 109 0.811 -6.650 -1.981 1.00 0.10 O ATOM 949 CB LEU A 109 -1.861 -5.061 -0.685 1.00 0.08 C ATOM 950 CG LEU A 109 -1.859 -3.710 0.000 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.847 -3.698 1.128 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.474 -3.378 0.506 1.00 0.07 C ATOM 0 H LEU A 109 -2.821 -4.608 -2.834 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.191 -4.390 -1.861 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.886 -5.326 -0.945 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.504 -5.816 0.016 1.00 0.08 H new ATOM 0 HG LEU A 109 -2.152 -2.951 -0.725 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.835 -2.721 1.612 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.845 -3.899 0.739 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.579 -4.466 1.854 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.489 -2.404 0.996 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.155 -4.138 1.219 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.223 -3.352 -0.332 1.00 0.07 H new ATOM 964 N SER A 110 -1.254 -7.443 -2.312 1.00 0.10 N ATOM 965 CA SER A 110 -0.825 -8.810 -2.490 1.00 0.12 C ATOM 966 C SER A 110 0.168 -8.899 -3.644 1.00 0.12 C ATOM 967 O SER A 110 1.109 -9.694 -3.611 1.00 0.14 O ATOM 968 CB SER A 110 -2.036 -9.680 -2.748 1.00 0.15 C ATOM 969 OG SER A 110 -2.944 -9.634 -1.658 1.00 1.15 O ATOM 0 H SER A 110 -2.262 -7.306 -2.385 1.00 0.10 H new ATOM 0 HA SER A 110 -0.324 -9.162 -1.588 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.538 -9.348 -3.657 1.00 0.15 H new ATOM 0 HB3 SER A 110 -1.718 -10.709 -2.917 1.00 0.15 H new ATOM 0 HG SER A 110 -3.513 -8.840 -1.740 1.00 1.15 H new ATOM 975 N ARG A 111 -0.061 -8.071 -4.660 1.00 0.11 N ATOM 976 CA ARG A 111 0.857 -7.925 -5.773 1.00 0.12 C ATOM 977 C ARG A 111 2.233 -7.484 -5.294 1.00 0.11 C ATOM 978 O ARG A 111 3.221 -8.189 -5.478 1.00 0.13 O ATOM 979 CB ARG A 111 0.309 -6.883 -6.742 1.00 0.16 C ATOM 980 CG ARG A 111 -0.929 -7.324 -7.493 1.00 0.26 C ATOM 981 CD ARG A 111 -0.646 -8.484 -8.420 1.00 0.99 C ATOM 982 NE ARG A 111 -1.861 -8.956 -9.081 1.00 1.81 N ATOM 983 CZ ARG A 111 -2.202 -8.647 -10.332 1.00 2.57 C ATOM 984 NH1 ARG A 111 -1.428 -7.854 -11.058 1.00 2.67 N ATOM 985 NH2 ARG A 111 -3.326 -9.126 -10.848 1.00 3.55 N ATOM 0 H ARG A 111 -0.892 -7.484 -4.730 1.00 0.11 H new ATOM 0 HA ARG A 111 0.955 -8.891 -6.268 1.00 0.12 H new ATOM 0 HB2 ARG A 111 0.079 -5.973 -6.188 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.086 -6.629 -7.463 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -1.703 -7.610 -6.780 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.321 -6.486 -8.070 1.00 0.26 H new ATOM 0 HD2 ARG A 111 0.083 -8.180 -9.172 1.00 0.99 H new ATOM 0 HD3 ARG A 111 -0.198 -9.301 -7.854 1.00 0.99 H new ATOM 0 HE ARG A 111 -2.488 -9.561 -8.551 1.00 1.81 H new ATOM 0 HH11 ARG A 111 -0.568 -7.478 -10.660 1.00 2.67 H new ATOM 0 HH12 ARG A 111 -1.692 -7.620 -12.015 1.00 2.67 H new ATOM 0 HH21 ARG A 111 -3.928 -9.730 -10.288 1.00 3.55 H new ATOM 0 HH22 ARG A 111 -3.589 -8.891 -11.805 1.00 3.55 H new ATOM 999 N VAL A 112 2.277 -6.333 -4.637 1.00 0.10 N ATOM 1000 CA VAL A 112 3.545 -5.707 -4.295 1.00 0.10 C ATOM 1001 C VAL A 112 4.294 -6.469 -3.230 1.00 0.11 C ATOM 1002 O VAL A 112 5.487 -6.656 -3.350 1.00 0.12 O ATOM 1003 CB VAL A 112 3.392 -4.243 -3.839 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.170 -3.341 -5.025 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.267 -4.079 -2.847 1.00 0.10 C ATOM 0 H VAL A 112 1.452 -5.816 -4.332 1.00 0.10 H new ATOM 0 HA VAL A 112 4.118 -5.725 -5.222 1.00 0.10 H new ATOM 0 HB VAL A 112 4.319 -3.960 -3.342 1.00 0.10 H new ATOM 0 HG11 VAL A 112 3.064 -2.311 -4.684 1.00 0.11 H new ATOM 0 HG12 VAL A 112 4.021 -3.414 -5.702 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.264 -3.645 -5.549 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.193 -3.033 -2.551 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.329 -4.394 -3.305 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.465 -4.692 -1.968 1.00 0.10 H new ATOM 1015 N LEU A 113 3.599 -6.906 -2.197 1.00 0.10 N ATOM 1016 CA LEU A 113 4.239 -7.626 -1.110 1.00 0.11 C ATOM 1017 C LEU A 113 4.973 -8.857 -1.613 1.00 0.12 C ATOM 1018 O LEU A 113 6.157 -9.053 -1.347 1.00 0.14 O ATOM 1019 CB LEU A 113 3.201 -8.029 -0.082 1.00 0.11 C ATOM 1020 CG LEU A 113 3.090 -7.054 1.063 1.00 0.12 C ATOM 1021 CD1 LEU A 113 1.928 -6.111 0.842 1.00 0.31 C ATOM 1022 CD2 LEU A 113 2.976 -7.789 2.378 1.00 0.28 C ATOM 0 H LEU A 113 2.593 -6.776 -2.087 1.00 0.10 H new ATOM 0 HA LEU A 113 4.973 -6.963 -0.652 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.231 -8.118 -0.570 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.452 -9.014 0.311 1.00 0.11 H new ATOM 0 HG LEU A 113 3.998 -6.453 1.104 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.861 -5.414 1.677 1.00 0.31 H new ATOM 0 HD12 LEU A 113 2.081 -5.556 -0.083 1.00 0.31 H new ATOM 0 HD13 LEU A 113 1.003 -6.683 0.773 1.00 0.31 H new ATOM 0 HD21 LEU A 113 2.897 -7.068 3.192 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.088 -8.421 2.366 1.00 0.28 H new ATOM 0 HD23 LEU A 113 3.861 -8.408 2.526 1.00 0.28 H new ATOM 1034 N SER A 114 4.242 -9.664 -2.346 1.00 0.13 N ATOM 1035 CA SER A 114 4.775 -10.893 -2.934 1.00 0.15 C ATOM 1036 C SER A 114 5.969 -10.591 -3.829 1.00 0.15 C ATOM 1037 O SER A 114 6.996 -11.272 -3.774 1.00 0.17 O ATOM 1038 CB SER A 114 3.687 -11.612 -3.735 1.00 0.17 C ATOM 1039 OG SER A 114 2.551 -11.871 -2.928 1.00 1.00 O ATOM 0 H SER A 114 3.258 -9.496 -2.558 1.00 0.13 H new ATOM 0 HA SER A 114 5.107 -11.542 -2.124 1.00 0.15 H new ATOM 0 HB2 SER A 114 3.398 -11.003 -4.591 1.00 0.17 H new ATOM 0 HB3 SER A 114 4.080 -12.550 -4.129 1.00 0.17 H new ATOM 0 HG SER A 114 1.861 -11.198 -3.108 1.00 1.00 H new ATOM 1045 N ARG A 115 5.831 -9.550 -4.635 1.00 0.13 N ATOM 1046 CA ARG A 115 6.896 -9.124 -5.525 1.00 0.14 C ATOM 1047 C ARG A 115 8.061 -8.550 -4.725 1.00 0.14 C ATOM 1048 O ARG A 115 9.219 -8.736 -5.080 1.00 0.18 O ATOM 1049 CB ARG A 115 6.364 -8.080 -6.511 1.00 0.17 C ATOM 1050 CG ARG A 115 5.348 -8.633 -7.498 1.00 0.24 C ATOM 1051 CD ARG A 115 4.847 -7.558 -8.454 1.00 0.35 C ATOM 1052 NE ARG A 115 5.807 -7.266 -9.518 1.00 0.84 N ATOM 1053 CZ ARG A 115 5.600 -6.372 -10.487 1.00 1.19 C ATOM 1054 NH1 ARG A 115 4.512 -5.606 -10.481 1.00 1.20 N ATOM 1055 NH2 ARG A 115 6.494 -6.235 -11.456 1.00 1.83 N ATOM 0 H ARG A 115 4.985 -8.982 -4.690 1.00 0.13 H new ATOM 0 HA ARG A 115 7.255 -9.989 -6.083 1.00 0.14 H new ATOM 0 HB2 ARG A 115 5.907 -7.264 -5.951 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.202 -7.656 -7.065 1.00 0.17 H new ATOM 0 HG2 ARG A 115 5.799 -9.445 -8.068 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.505 -9.057 -6.953 1.00 0.24 H new ATOM 0 HD2 ARG A 115 3.905 -7.880 -8.897 1.00 0.35 H new ATOM 0 HD3 ARG A 115 4.640 -6.646 -7.894 1.00 0.35 H new ATOM 0 HE ARG A 115 6.690 -7.777 -9.520 1.00 0.84 H new ATOM 0 HH11 ARG A 115 3.827 -5.699 -9.731 1.00 1.20 H new ATOM 0 HH12 ARG A 115 4.363 -4.926 -11.226 1.00 1.20 H new ATOM 0 HH21 ARG A 115 7.335 -6.811 -11.459 1.00 1.83 H new ATOM 0 HH22 ARG A 115 6.340 -5.553 -12.199 1.00 1.83 H new ATOM 1069 N ALA A 116 7.729 -7.848 -3.651 1.00 0.13 N ATOM 1070 CA ALA A 116 8.723 -7.182 -2.804 1.00 0.14 C ATOM 1071 C ALA A 116 9.610 -8.182 -2.070 1.00 0.16 C ATOM 1072 O ALA A 116 10.815 -7.984 -1.956 1.00 0.18 O ATOM 1073 CB ALA A 116 8.030 -6.253 -1.818 1.00 0.15 C ATOM 0 H ALA A 116 6.767 -7.721 -3.338 1.00 0.13 H new ATOM 0 HA ALA A 116 9.372 -6.594 -3.453 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.777 -5.763 -1.193 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.463 -5.499 -2.365 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.353 -6.830 -1.189 1.00 0.15 H new ATOM 1079 N ARG A 117 9.008 -9.247 -1.569 1.00 0.19 N ATOM 1080 CA ARG A 117 9.756 -10.302 -0.907 1.00 0.24 C ATOM 1081 C ARG A 117 10.739 -10.972 -1.858 1.00 0.26 C ATOM 1082 O ARG A 117 11.841 -11.351 -1.468 1.00 0.32 O ATOM 1083 CB ARG A 117 8.809 -11.339 -0.336 1.00 0.28 C ATOM 1084 CG ARG A 117 8.439 -11.078 1.105 1.00 0.61 C ATOM 1085 CD ARG A 117 7.163 -10.261 1.255 1.00 0.34 C ATOM 1086 NE ARG A 117 6.518 -10.503 2.546 1.00 1.22 N ATOM 1087 CZ ARG A 117 6.135 -9.553 3.401 1.00 1.38 C ATOM 1088 NH1 ARG A 117 6.367 -8.269 3.139 1.00 1.30 N ATOM 1089 NH2 ARG A 117 5.527 -9.900 4.528 1.00 2.33 N ATOM 0 H ARG A 117 8.001 -9.404 -1.608 1.00 0.19 H new ATOM 0 HA ARG A 117 10.325 -9.844 -0.098 1.00 0.24 H new ATOM 0 HB2 ARG A 117 7.901 -11.363 -0.939 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.270 -12.324 -0.413 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.316 -12.030 1.621 1.00 0.61 H new ATOM 0 HG3 ARG A 117 9.259 -10.553 1.595 1.00 0.61 H new ATOM 0 HD2 ARG A 117 7.395 -9.201 1.157 1.00 0.34 H new ATOM 0 HD3 ARG A 117 6.473 -10.512 0.450 1.00 0.34 H new ATOM 0 HE ARG A 117 6.348 -11.473 2.813 1.00 1.22 H new ATOM 0 HH11 ARG A 117 6.842 -8.002 2.277 1.00 1.30 H new ATOM 0 HH12 ARG A 117 6.069 -7.552 3.800 1.00 1.30 H new ATOM 0 HH21 ARG A 117 5.357 -10.884 4.733 1.00 2.33 H new ATOM 0 HH22 ARG A 117 5.230 -9.182 5.189 1.00 2.33 H new ATOM 1103 N SER A 118 10.335 -11.101 -3.109 1.00 0.26 N ATOM 1104 CA SER A 118 11.160 -11.745 -4.124 1.00 0.31 C ATOM 1105 C SER A 118 12.178 -10.767 -4.673 1.00 0.28 C ATOM 1106 O SER A 118 13.299 -11.134 -5.030 1.00 0.32 O ATOM 1107 CB SER A 118 10.279 -12.230 -5.269 1.00 0.37 C ATOM 1108 OG SER A 118 10.887 -13.280 -6.008 1.00 0.68 O ATOM 0 H SER A 118 9.434 -10.767 -3.451 1.00 0.26 H new ATOM 0 HA SER A 118 11.677 -12.588 -3.666 1.00 0.31 H new ATOM 0 HB2 SER A 118 9.325 -12.574 -4.870 1.00 0.37 H new ATOM 0 HB3 SER A 118 10.063 -11.396 -5.937 1.00 0.37 H new ATOM 0 HG SER A 118 10.288 -13.561 -6.731 1.00 0.68 H new ATOM 1114 N ARG A 119 11.766 -9.523 -4.732 1.00 0.23 N ATOM 1115 CA ARG A 119 12.545 -8.480 -5.338 1.00 0.20 C ATOM 1116 C ARG A 119 12.582 -7.249 -4.461 1.00 0.18 C ATOM 1117 O ARG A 119 11.939 -6.242 -4.751 1.00 0.17 O ATOM 1118 CB ARG A 119 11.941 -8.147 -6.684 1.00 0.25 C ATOM 1119 CG ARG A 119 12.515 -8.965 -7.808 1.00 0.33 C ATOM 1120 CD ARG A 119 13.811 -8.352 -8.304 1.00 0.33 C ATOM 1121 NE ARG A 119 14.491 -9.200 -9.273 1.00 0.55 N ATOM 1122 CZ ARG A 119 15.619 -8.860 -9.892 1.00 0.97 C ATOM 1123 NH1 ARG A 119 16.175 -7.678 -9.668 1.00 1.48 N ATOM 1124 NH2 ARG A 119 16.193 -9.701 -10.740 1.00 1.19 N ATOM 0 H ARG A 119 10.872 -9.208 -4.356 1.00 0.23 H new ATOM 0 HA ARG A 119 13.571 -8.825 -5.463 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.863 -8.306 -6.641 1.00 0.25 H new ATOM 0 HB3 ARG A 119 12.099 -7.089 -6.895 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.695 -9.985 -7.468 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.797 -9.024 -8.626 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.601 -7.383 -8.757 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.472 -8.171 -7.456 1.00 0.33 H new ATOM 0 HE ARG A 119 14.079 -10.107 -9.490 1.00 0.55 H new ATOM 0 HH11 ARG A 119 15.738 -7.024 -9.019 1.00 1.48 H new ATOM 0 HH12 ARG A 119 17.040 -7.422 -10.145 1.00 1.48 H new ATOM 0 HH21 ARG A 119 15.770 -10.612 -10.920 1.00 1.19 H new ATOM 0 HH22 ARG A 119 17.057 -9.438 -11.213 1.00 1.19 H new ATOM 1138 N PRO A 120 13.348 -7.317 -3.378 1.00 0.19 N ATOM 1139 CA PRO A 120 13.513 -6.203 -2.450 1.00 0.19 C ATOM 1140 C PRO A 120 14.262 -5.033 -3.088 1.00 0.20 C ATOM 1141 O PRO A 120 14.303 -3.931 -2.541 1.00 0.21 O ATOM 1142 CB PRO A 120 14.314 -6.827 -1.316 1.00 0.23 C ATOM 1143 CG PRO A 120 15.081 -7.902 -1.979 1.00 0.25 C ATOM 1144 CD PRO A 120 14.113 -8.498 -2.946 1.00 0.22 C ATOM 0 HA PRO A 120 12.565 -5.774 -2.126 1.00 0.19 H new ATOM 0 HB2 PRO A 120 14.973 -6.099 -0.843 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.663 -7.222 -0.536 1.00 0.23 H new ATOM 0 HG2 PRO A 120 15.961 -7.508 -2.488 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.433 -8.642 -1.260 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.617 -8.985 -3.780 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.476 -9.248 -2.477 1.00 0.22 H new ATOM 1152 N ALA A 121 14.849 -5.279 -4.260 1.00 0.20 N ATOM 1153 CA ALA A 121 15.470 -4.211 -5.040 1.00 0.22 C ATOM 1154 C ALA A 121 14.385 -3.388 -5.707 1.00 0.19 C ATOM 1155 O ALA A 121 14.488 -2.173 -5.861 1.00 0.21 O ATOM 1156 CB ALA A 121 16.397 -4.785 -6.099 1.00 0.25 C ATOM 0 H ALA A 121 14.907 -6.203 -4.687 1.00 0.20 H new ATOM 0 HA ALA A 121 16.059 -3.583 -4.371 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.848 -3.972 -6.667 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.181 -5.370 -5.618 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.828 -5.426 -6.772 1.00 0.25 H new ATOM 1162 N LYS A 122 13.330 -4.092 -6.077 1.00 0.16 N ATOM 1163 CA LYS A 122 12.195 -3.495 -6.741 1.00 0.16 C ATOM 1164 C LYS A 122 11.163 -3.042 -5.727 1.00 0.11 C ATOM 1165 O LYS A 122 10.097 -2.566 -6.093 1.00 0.11 O ATOM 1166 CB LYS A 122 11.594 -4.474 -7.729 1.00 0.20 C ATOM 1167 CG LYS A 122 12.578 -4.835 -8.815 1.00 0.27 C ATOM 1168 CD LYS A 122 11.906 -5.041 -10.143 1.00 0.41 C ATOM 1169 CE LYS A 122 10.955 -6.201 -10.095 1.00 0.79 C ATOM 1170 NZ LYS A 122 10.355 -6.493 -11.423 1.00 1.07 N ATOM 0 H LYS A 122 13.240 -5.096 -5.923 1.00 0.16 H new ATOM 0 HA LYS A 122 12.532 -2.616 -7.291 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.281 -5.377 -7.204 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.700 -4.039 -8.176 1.00 0.20 H new ATOM 0 HG2 LYS A 122 13.323 -4.045 -8.905 1.00 0.27 H new ATOM 0 HG3 LYS A 122 13.110 -5.744 -8.534 1.00 0.27 H new ATOM 0 HD2 LYS A 122 11.367 -4.137 -10.425 1.00 0.41 H new ATOM 0 HD3 LYS A 122 12.659 -5.216 -10.911 1.00 0.41 H new ATOM 0 HE2 LYS A 122 11.481 -7.085 -9.734 1.00 0.79 H new ATOM 0 HE3 LYS A 122 10.161 -5.988 -9.379 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 9.706 -7.301 -11.340 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.830 -5.660 -11.758 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 11.109 -6.723 -12.102 1.00 1.07 H new ATOM 1184 N LEU A 123 11.476 -3.225 -4.447 1.00 0.10 N ATOM 1185 CA LEU A 123 10.661 -2.702 -3.362 1.00 0.08 C ATOM 1186 C LEU A 123 10.250 -1.260 -3.606 1.00 0.08 C ATOM 1187 O LEU A 123 9.107 -0.909 -3.392 1.00 0.13 O ATOM 1188 CB LEU A 123 11.433 -2.793 -2.059 1.00 0.12 C ATOM 1189 CG LEU A 123 10.709 -2.243 -0.843 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.396 -2.965 -0.638 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.580 -2.370 0.383 1.00 0.23 C ATOM 0 H LEU A 123 12.300 -3.739 -4.137 1.00 0.10 H new ATOM 0 HA LEU A 123 9.754 -3.304 -3.308 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.681 -3.838 -1.873 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.375 -2.258 -2.175 1.00 0.12 H new ATOM 0 HG LEU A 123 10.497 -1.187 -1.011 1.00 0.14 H new ATOM 0 HD11 LEU A 123 8.890 -2.558 0.238 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.765 -2.830 -1.517 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.585 -4.028 -0.487 1.00 0.12 H new ATOM 0 HD21 LEU A 123 11.050 -1.972 1.249 1.00 0.23 H new ATOM 0 HD22 LEU A 123 11.817 -3.420 0.554 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.503 -1.809 0.233 1.00 0.23 H new ATOM 1203 N TYR A 124 11.175 -0.438 -4.077 1.00 0.11 N ATOM 1204 CA TYR A 124 10.888 0.935 -4.392 1.00 0.10 C ATOM 1205 C TYR A 124 9.867 1.034 -5.501 1.00 0.11 C ATOM 1206 O TYR A 124 9.049 1.929 -5.503 1.00 0.14 O ATOM 1207 CB TYR A 124 12.184 1.630 -4.760 1.00 0.14 C ATOM 1208 CG TYR A 124 13.099 1.624 -3.585 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.550 1.826 -2.349 1.00 0.33 C ATOM 1210 CD2 TYR A 124 14.459 1.404 -3.684 1.00 1.30 C ATOM 1211 CE1 TYR A 124 13.313 1.815 -1.219 1.00 0.74 C ATOM 1212 CE2 TYR A 124 15.252 1.391 -2.555 1.00 1.74 C ATOM 1213 CZ TYR A 124 14.673 1.597 -1.317 1.00 1.45 C ATOM 1214 OH TYR A 124 15.449 1.579 -0.182 1.00 1.89 O ATOM 0 H TYR A 124 12.142 -0.713 -4.248 1.00 0.11 H new ATOM 0 HA TYR A 124 10.454 1.429 -3.523 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.654 1.124 -5.603 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.984 2.654 -5.074 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.487 1.998 -2.266 1.00 0.33 H new ATOM 0 HD2 TYR A 124 14.906 1.241 -4.654 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.857 1.976 -0.253 1.00 0.74 H new ATOM 0 HE2 TYR A 124 16.315 1.221 -2.638 1.00 1.74 H new ATOM 0 HH TYR A 124 16.383 1.412 -0.427 1.00 1.89 H new ATOM 1224 N VAL A 125 9.865 0.076 -6.401 1.00 0.10 N ATOM 1225 CA VAL A 125 8.879 0.052 -7.464 1.00 0.12 C ATOM 1226 C VAL A 125 7.509 -0.144 -6.848 1.00 0.11 C ATOM 1227 O VAL A 125 6.543 0.529 -7.180 1.00 0.14 O ATOM 1228 CB VAL A 125 9.136 -1.117 -8.423 1.00 0.15 C ATOM 1229 CG1 VAL A 125 8.168 -1.078 -9.573 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.564 -1.120 -8.914 1.00 0.18 C ATOM 0 H VAL A 125 10.532 -0.696 -6.420 1.00 0.10 H new ATOM 0 HA VAL A 125 8.940 0.990 -8.016 1.00 0.12 H new ATOM 0 HB VAL A 125 8.977 -2.045 -7.874 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.365 -1.915 -10.243 1.00 0.20 H new ATOM 0 HG12 VAL A 125 7.149 -1.150 -9.193 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.287 -0.141 -10.117 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.714 -1.961 -9.592 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.770 -0.188 -9.441 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.241 -1.214 -8.065 1.00 0.18 H new ATOM 1240 N TYR A 126 7.484 -1.073 -5.919 1.00 0.07 N ATOM 1241 CA TYR A 126 6.286 -1.490 -5.209 1.00 0.08 C ATOM 1242 C TYR A 126 5.834 -0.423 -4.225 1.00 0.08 C ATOM 1243 O TYR A 126 4.646 -0.134 -4.107 1.00 0.10 O ATOM 1244 CB TYR A 126 6.632 -2.791 -4.496 1.00 0.11 C ATOM 1245 CG TYR A 126 7.252 -3.798 -5.428 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.826 -3.921 -6.748 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.283 -4.600 -4.996 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.419 -4.827 -7.601 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.878 -5.510 -5.843 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.443 -5.618 -7.141 1.00 0.28 C ATOM 1251 OH TYR A 126 9.023 -6.539 -7.975 1.00 0.36 O ATOM 0 H TYR A 126 8.320 -1.577 -5.624 1.00 0.07 H new ATOM 0 HA TYR A 126 5.456 -1.638 -5.899 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.320 -2.583 -3.677 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.729 -3.213 -4.054 1.00 0.11 H new ATOM 0 HD1 TYR A 126 6.020 -3.298 -7.108 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.632 -4.515 -3.977 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.081 -4.914 -8.623 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.683 -6.136 -5.487 1.00 0.27 H new ATOM 0 HH TYR A 126 8.476 -6.640 -8.782 1.00 0.36 H new ATOM 1261 N ILE A 127 6.794 0.150 -3.522 1.00 0.08 N ATOM 1262 CA ILE A 127 6.560 1.288 -2.653 1.00 0.11 C ATOM 1263 C ILE A 127 5.979 2.429 -3.449 1.00 0.12 C ATOM 1264 O ILE A 127 4.923 2.960 -3.118 1.00 0.14 O ATOM 1265 CB ILE A 127 7.881 1.742 -2.007 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.344 0.709 -0.996 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.747 3.108 -1.358 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.802 0.844 -0.648 1.00 0.13 C ATOM 0 H ILE A 127 7.764 -0.164 -3.538 1.00 0.08 H new ATOM 0 HA ILE A 127 5.859 0.993 -1.872 1.00 0.11 H new ATOM 0 HB ILE A 127 8.630 1.831 -2.794 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.748 0.804 -0.088 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.161 -0.289 -1.394 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.700 3.394 -0.913 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.463 3.843 -2.112 1.00 0.12 H new ATOM 0 HG23 ILE A 127 6.982 3.069 -0.583 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.075 0.079 0.079 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.404 0.721 -1.548 1.00 0.13 H new ATOM 0 HD13 ILE A 127 9.985 1.831 -0.222 1.00 0.13 H new ATOM 1280 N ASN A 128 6.681 2.783 -4.513 1.00 0.12 N ATOM 1281 CA ASN A 128 6.221 3.833 -5.415 1.00 0.15 C ATOM 1282 C ASN A 128 4.855 3.477 -5.983 1.00 0.12 C ATOM 1283 O ASN A 128 3.987 4.334 -6.092 1.00 0.12 O ATOM 1284 CB ASN A 128 7.200 4.042 -6.573 1.00 0.20 C ATOM 1285 CG ASN A 128 8.538 4.666 -6.177 1.00 0.30 C ATOM 1286 OD1 ASN A 128 8.965 4.481 -4.932 1.00 0.82 O flip ATOM 1287 ND2 ASN A 128 9.180 5.328 -6.991 1.00 0.42 N flip ATOM 0 H ASN A 128 7.572 2.361 -4.776 1.00 0.12 H new ATOM 0 HA ASN A 128 6.156 4.755 -4.838 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.390 3.079 -7.047 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.726 4.678 -7.321 1.00 0.20 H new ATOM 0 HD21 ASN A 128 8.826 5.452 -7.940 1.00 0.42 H new ATOM 0 HD22 ASN A 128 10.066 5.753 -6.717 1.00 0.42 H new ATOM 1294 N GLU A 129 4.683 2.210 -6.345 1.00 0.11 N ATOM 1295 CA GLU A 129 3.420 1.710 -6.859 1.00 0.10 C ATOM 1296 C GLU A 129 2.292 1.997 -5.902 1.00 0.09 C ATOM 1297 O GLU A 129 1.347 2.691 -6.235 1.00 0.14 O ATOM 1298 CB GLU A 129 3.495 0.211 -7.059 1.00 0.14 C ATOM 1299 CG GLU A 129 2.908 -0.244 -8.365 1.00 0.26 C ATOM 1300 CD GLU A 129 1.499 0.249 -8.619 1.00 1.41 C ATOM 1301 OE1 GLU A 129 1.340 1.393 -9.096 1.00 2.29 O ATOM 1302 OE2 GLU A 129 0.551 -0.523 -8.365 1.00 1.55 O ATOM 0 H GLU A 129 5.417 1.504 -6.289 1.00 0.11 H new ATOM 0 HA GLU A 129 3.231 2.214 -7.807 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.537 -0.104 -7.008 1.00 0.14 H new ATOM 0 HB3 GLU A 129 2.972 -0.284 -6.241 1.00 0.14 H new ATOM 0 HG2 GLU A 129 3.551 0.095 -9.177 1.00 0.26 H new ATOM 0 HG3 GLU A 129 2.910 -1.334 -8.391 1.00 0.26 H new ATOM 1309 N LEU A 130 2.437 1.483 -4.702 1.00 0.07 N ATOM 1310 CA LEU A 130 1.410 1.560 -3.694 1.00 0.08 C ATOM 1311 C LEU A 130 1.161 3.008 -3.331 1.00 0.09 C ATOM 1312 O LEU A 130 0.027 3.425 -3.147 1.00 0.10 O ATOM 1313 CB LEU A 130 1.840 0.774 -2.468 1.00 0.08 C ATOM 1314 CG LEU A 130 0.693 0.192 -1.663 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.029 -0.937 -2.426 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.191 -0.286 -0.317 1.00 0.08 C ATOM 0 H LEU A 130 3.280 0.996 -4.398 1.00 0.07 H new ATOM 0 HA LEU A 130 0.486 1.131 -4.081 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.495 -0.038 -2.783 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.428 1.425 -1.821 1.00 0.08 H new ATOM 0 HG LEU A 130 -0.051 0.971 -1.497 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.791 -1.343 -1.834 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.359 -0.558 -3.372 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.759 -1.723 -2.621 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.359 -0.702 0.252 1.00 0.08 H new ATOM 0 HD22 LEU A 130 1.951 -1.054 -0.462 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.622 0.552 0.230 1.00 0.08 H new ATOM 1328 N CYS A 131 2.236 3.772 -3.258 1.00 0.11 N ATOM 1329 CA CYS A 131 2.154 5.189 -3.013 1.00 0.13 C ATOM 1330 C CYS A 131 1.370 5.883 -4.127 1.00 0.13 C ATOM 1331 O CYS A 131 0.529 6.740 -3.867 1.00 0.14 O ATOM 1332 CB CYS A 131 3.571 5.736 -2.915 1.00 0.18 C ATOM 1333 SG CYS A 131 4.409 5.350 -1.361 1.00 1.39 S ATOM 0 H CYS A 131 3.188 3.422 -3.368 1.00 0.11 H new ATOM 0 HA CYS A 131 1.623 5.380 -2.080 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.160 5.338 -3.741 1.00 0.18 H new ATOM 0 HB3 CYS A 131 3.540 6.819 -3.039 1.00 0.18 H new ATOM 0 HG CYS A 131 4.937 4.165 -1.436 1.00 1.39 H new ATOM 1339 N THR A 132 1.650 5.488 -5.362 1.00 0.12 N ATOM 1340 CA THR A 132 0.941 6.005 -6.527 1.00 0.14 C ATOM 1341 C THR A 132 -0.509 5.531 -6.520 1.00 0.11 C ATOM 1342 O THR A 132 -1.427 6.295 -6.790 1.00 0.15 O ATOM 1343 CB THR A 132 1.632 5.559 -7.830 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.999 5.998 -7.827 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.922 6.118 -9.047 1.00 0.24 C ATOM 0 H THR A 132 2.372 4.803 -5.585 1.00 0.12 H new ATOM 0 HA THR A 132 0.959 7.094 -6.479 1.00 0.14 H new ATOM 0 HB THR A 132 1.592 4.471 -7.881 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.577 5.265 -7.530 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.433 5.786 -9.951 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.109 5.764 -9.062 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.930 7.207 -9.005 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.682 4.256 -6.224 1.00 0.09 N ATOM 1354 CA VAL A 133 -1.982 3.652 -5.976 1.00 0.07 C ATOM 1355 C VAL A 133 -2.798 4.465 -4.979 1.00 0.07 C ATOM 1356 O VAL A 133 -3.972 4.766 -5.204 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.781 2.227 -5.430 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.021 1.708 -4.737 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.373 1.287 -6.542 1.00 0.10 C ATOM 0 H VAL A 133 0.092 3.596 -6.147 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.531 3.626 -6.918 1.00 0.07 H new ATOM 0 HB VAL A 133 -0.983 2.273 -4.689 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.836 0.700 -4.367 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.271 2.361 -3.901 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.851 1.689 -5.443 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.235 0.284 -6.138 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.151 1.267 -7.305 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.439 1.631 -6.985 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.167 4.814 -3.881 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.822 5.568 -2.832 1.00 0.11 C ATOM 1371 C LEU A 134 -3.023 7.013 -3.261 1.00 0.14 C ATOM 1372 O LEU A 134 -3.995 7.647 -2.876 1.00 0.18 O ATOM 1373 CB LEU A 134 -1.998 5.483 -1.556 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.793 4.061 -1.027 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.738 4.042 0.064 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -3.104 3.492 -0.516 1.00 0.16 C ATOM 0 H LEU A 134 -1.192 4.586 -3.689 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.806 5.141 -2.641 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -1.022 5.934 -1.738 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.485 6.078 -0.783 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.443 3.435 -1.848 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.608 3.022 0.426 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.207 4.408 -0.337 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -1.055 4.682 0.888 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.941 2.481 -0.143 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.483 4.119 0.291 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.831 3.467 -1.328 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.112 7.513 -4.086 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.217 8.818 -4.675 1.00 0.17 C ATOM 1390 C LYS A 135 -3.392 8.811 -5.636 1.00 0.15 C ATOM 1391 O LYS A 135 -4.091 9.810 -5.816 1.00 0.18 O ATOM 1392 CB LYS A 135 -0.900 9.096 -5.401 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.569 10.541 -5.556 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.548 11.213 -6.477 1.00 0.68 C ATOM 1395 CE LYS A 135 -2.150 12.416 -5.809 1.00 1.32 C ATOM 1396 NZ LYS A 135 -1.353 13.650 -6.039 1.00 1.82 N ATOM 0 H LYS A 135 -1.271 7.006 -4.361 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.388 9.597 -3.932 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.091 8.608 -4.858 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -0.942 8.638 -6.389 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.584 11.029 -4.582 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.442 10.648 -5.950 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -1.046 11.513 -7.397 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -2.335 10.512 -6.757 1.00 0.68 H new ATOM 0 HE2 LYS A 135 -3.163 12.566 -6.182 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -2.229 12.232 -4.738 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 -1.809 14.452 -5.559 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 -0.393 13.519 -5.660 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 -1.299 13.843 -7.059 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.626 7.646 -6.208 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.670 7.464 -7.171 1.00 0.14 C ATOM 1412 C ALA A 136 -6.015 7.438 -6.473 1.00 0.16 C ATOM 1413 O ALA A 136 -6.983 8.038 -6.935 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.439 6.167 -7.934 1.00 0.17 C ATOM 0 H ALA A 136 -3.089 6.801 -6.010 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.663 8.294 -7.878 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.234 6.029 -8.667 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.478 6.212 -8.446 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.440 5.329 -7.236 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.054 6.775 -5.324 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.308 6.515 -4.635 1.00 0.23 C ATOM 1422 C HIS A 137 -7.286 7.107 -3.233 1.00 0.24 C ATOM 1423 O HIS A 137 -7.655 6.461 -2.251 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.579 5.012 -4.586 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.400 4.340 -5.914 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -6.708 3.233 -6.257 1.00 0.29 N flip ATOM 1427 CD2 HIS A 137 -7.923 4.833 -7.083 1.00 0.30 C flip ATOM 1428 CE1 HIS A 137 -6.821 3.073 -7.614 1.00 0.32 C flip ATOM 1429 NE2 HIS A 137 -7.556 4.063 -8.084 1.00 0.34 N flip ATOM 0 H HIS A 137 -5.229 6.408 -4.850 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.115 6.995 -5.188 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -6.910 4.551 -3.859 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.597 4.843 -4.234 1.00 0.24 H new ATOM 0 HD1 HIS A 137 -6.193 2.624 -5.621 1.00 0.29 H new ATOM 0 HD2 HIS A 137 -8.540 5.716 -7.168 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -6.384 2.275 -8.197 1.00 0.32 H new ATOM 1438 N SER A 138 -6.836 8.344 -3.162 1.00 0.26 N ATOM 1439 CA SER A 138 -6.898 9.110 -1.947 1.00 0.30 C ATOM 1440 C SER A 138 -8.251 9.782 -1.858 1.00 0.36 C ATOM 1441 O SER A 138 -8.753 10.332 -2.839 1.00 0.56 O ATOM 1442 CB SER A 138 -5.795 10.148 -1.926 1.00 0.40 C ATOM 1443 OG SER A 138 -4.591 9.634 -1.389 1.00 1.23 O ATOM 0 H SER A 138 -6.418 8.841 -3.949 1.00 0.26 H new ATOM 0 HA SER A 138 -6.762 8.449 -1.091 1.00 0.30 H new ATOM 0 HB2 SER A 138 -5.616 10.506 -2.940 1.00 0.40 H new ATOM 0 HB3 SER A 138 -6.117 11.007 -1.337 1.00 0.40 H new ATOM 0 HG SER A 138 -4.169 9.039 -2.043 1.00 1.23 H new ATOM 1449 N ALA A 139 -8.843 9.721 -0.682 1.00 0.26 N ATOM 1450 CA ALA A 139 -10.155 10.283 -0.457 1.00 0.34 C ATOM 1451 C ALA A 139 -10.105 11.802 -0.544 1.00 0.72 C ATOM 1452 O ALA A 139 -10.876 12.417 -1.278 1.00 1.10 O ATOM 1453 CB ALA A 139 -10.677 9.828 0.894 1.00 0.26 C ATOM 0 H ALA A 139 -8.428 9.282 0.140 1.00 0.26 H new ATOM 0 HA ALA A 139 -10.837 9.930 -1.230 1.00 0.34 H new ATOM 0 HB1 ALA A 139 -11.667 10.252 1.063 1.00 0.26 H new ATOM 0 HB2 ALA A 139 -10.741 8.740 0.912 1.00 0.26 H new ATOM 0 HB3 ALA A 139 -9.999 10.165 1.678 1.00 0.26 H new ATOM 1459 N LYS A 140 -9.190 12.402 0.204 1.00 1.04 N ATOM 1460 CA LYS A 140 -9.024 13.850 0.185 1.00 1.45 C ATOM 1461 C LYS A 140 -7.829 14.258 -0.678 1.00 1.34 C ATOM 1462 O LYS A 140 -7.007 15.075 -0.260 1.00 1.80 O ATOM 1463 CB LYS A 140 -8.838 14.404 1.609 1.00 2.25 C ATOM 1464 CG LYS A 140 -10.073 14.307 2.500 1.00 3.01 C ATOM 1465 CD LYS A 140 -10.304 12.897 3.021 1.00 3.61 C ATOM 1466 CE LYS A 140 -9.156 12.417 3.898 1.00 4.40 C ATOM 1467 NZ LYS A 140 -8.984 13.259 5.113 1.00 4.94 N ATOM 0 H LYS A 140 -8.552 11.911 0.830 1.00 1.04 H new ATOM 0 HA LYS A 140 -9.932 14.272 -0.246 1.00 1.45 H new ATOM 0 HB2 LYS A 140 -8.019 13.868 2.088 1.00 2.25 H new ATOM 0 HB3 LYS A 140 -8.538 15.450 1.541 1.00 2.25 H new ATOM 0 HG2 LYS A 140 -9.964 14.989 3.343 1.00 3.01 H new ATOM 0 HG3 LYS A 140 -10.949 14.632 1.938 1.00 3.01 H new ATOM 0 HD2 LYS A 140 -11.232 12.869 3.592 1.00 3.61 H new ATOM 0 HD3 LYS A 140 -10.427 12.215 2.179 1.00 3.61 H new ATOM 0 HE2 LYS A 140 -9.337 11.384 4.197 1.00 4.40 H new ATOM 0 HE3 LYS A 140 -8.232 12.424 3.320 1.00 4.40 H new ATOM 0 HZ1 LYS A 140 -8.323 12.793 5.767 1.00 4.94 H new ATOM 0 HZ2 LYS A 140 -8.605 14.188 4.841 1.00 4.94 H new ATOM 0 HZ3 LYS A 140 -9.904 13.385 5.581 1.00 4.94 H new ATOM 1481 N LYS A 141 -7.714 13.689 -1.878 1.00 1.51 N ATOM 1482 CA LYS A 141 -6.603 14.011 -2.773 1.00 2.10 C ATOM 1483 C LYS A 141 -6.818 15.322 -3.523 1.00 2.90 C ATOM 1484 O LYS A 141 -5.953 15.743 -4.290 1.00 3.44 O ATOM 1485 CB LYS A 141 -6.399 12.888 -3.796 1.00 2.17 C ATOM 1486 CG LYS A 141 -7.625 12.619 -4.661 1.00 2.04 C ATOM 1487 CD LYS A 141 -7.331 11.615 -5.766 1.00 2.31 C ATOM 1488 CE LYS A 141 -6.330 12.164 -6.770 1.00 3.03 C ATOM 1489 NZ LYS A 141 -6.102 11.228 -7.901 1.00 3.84 N ATOM 0 H LYS A 141 -8.373 13.006 -2.251 1.00 1.51 H new ATOM 0 HA LYS A 141 -5.720 14.119 -2.143 1.00 2.10 H new ATOM 0 HB2 LYS A 141 -5.559 13.144 -4.441 1.00 2.17 H new ATOM 0 HB3 LYS A 141 -6.129 11.973 -3.269 1.00 2.17 H new ATOM 0 HG2 LYS A 141 -8.435 12.244 -4.036 1.00 2.04 H new ATOM 0 HG3 LYS A 141 -7.970 13.554 -5.102 1.00 2.04 H new ATOM 0 HD2 LYS A 141 -6.941 10.696 -5.329 1.00 2.31 H new ATOM 0 HD3 LYS A 141 -8.257 11.356 -6.279 1.00 2.31 H new ATOM 0 HE2 LYS A 141 -6.690 13.117 -7.156 1.00 3.03 H new ATOM 0 HE3 LYS A 141 -5.383 12.361 -6.267 1.00 3.03 H new ATOM 0 HZ1 LYS A 141 -5.749 11.757 -8.724 1.00 3.84 H new ATOM 0 HZ2 LYS A 141 -5.401 10.512 -7.623 1.00 3.84 H new ATOM 0 HZ3 LYS A 141 -6.996 10.758 -8.149 1.00 3.84 H new ATOM 1503 N LYS A 142 -7.953 15.972 -3.314 1.00 3.43 N ATOM 1504 CA LYS A 142 -8.250 17.186 -4.058 1.00 4.37 C ATOM 1505 C LYS A 142 -8.643 18.313 -3.116 1.00 4.96 C ATOM 1506 O LYS A 142 -9.430 18.120 -2.189 1.00 5.45 O ATOM 1507 CB LYS A 142 -9.332 16.946 -5.134 1.00 5.00 C ATOM 1508 CG LYS A 142 -10.782 16.990 -4.657 1.00 5.31 C ATOM 1509 CD LYS A 142 -11.136 15.854 -3.711 1.00 5.43 C ATOM 1510 CE LYS A 142 -12.644 15.739 -3.533 1.00 6.16 C ATOM 1511 NZ LYS A 142 -13.254 16.990 -3.001 1.00 6.56 N ATOM 0 H LYS A 142 -8.671 15.686 -2.648 1.00 3.43 H new ATOM 0 HA LYS A 142 -7.342 17.485 -4.581 1.00 4.37 H new ATOM 0 HB2 LYS A 142 -9.207 17.693 -5.918 1.00 5.00 H new ATOM 0 HB3 LYS A 142 -9.151 15.973 -5.590 1.00 5.00 H new ATOM 0 HG2 LYS A 142 -10.964 17.941 -4.157 1.00 5.31 H new ATOM 0 HG3 LYS A 142 -11.444 16.953 -5.522 1.00 5.31 H new ATOM 0 HD2 LYS A 142 -10.740 14.916 -4.100 1.00 5.43 H new ATOM 0 HD3 LYS A 142 -10.664 16.022 -2.743 1.00 5.43 H new ATOM 0 HE2 LYS A 142 -13.102 15.495 -4.492 1.00 6.16 H new ATOM 0 HE3 LYS A 142 -12.865 14.914 -2.855 1.00 6.16 H new ATOM 0 HZ1 LYS A 142 -14.182 16.774 -2.584 1.00 6.56 H new ATOM 0 HZ2 LYS A 142 -12.633 17.396 -2.272 1.00 6.56 H new ATOM 0 HZ3 LYS A 142 -13.373 17.674 -3.775 1.00 6.56 H new ATOM 1525 N LEU A 143 -8.070 19.482 -3.339 1.00 5.33 N ATOM 1526 CA LEU A 143 -8.334 20.636 -2.496 1.00 6.23 C ATOM 1527 C LEU A 143 -9.563 21.406 -2.979 1.00 7.01 C ATOM 1528 O LEU A 143 -9.703 22.602 -2.728 1.00 7.76 O ATOM 1529 CB LEU A 143 -7.104 21.543 -2.457 1.00 6.61 C ATOM 1530 CG LEU A 143 -5.832 20.879 -1.916 1.00 6.79 C ATOM 1531 CD1 LEU A 143 -4.658 21.848 -1.942 1.00 7.64 C ATOM 1532 CD2 LEU A 143 -6.062 20.358 -0.505 1.00 6.92 C ATOM 0 H LEU A 143 -7.415 19.658 -4.101 1.00 5.33 H new ATOM 0 HA LEU A 143 -8.545 20.285 -1.486 1.00 6.23 H new ATOM 0 HB2 LEU A 143 -6.906 21.907 -3.465 1.00 6.61 H new ATOM 0 HB3 LEU A 143 -7.332 22.414 -1.843 1.00 6.61 H new ATOM 0 HG LEU A 143 -5.589 20.036 -2.563 1.00 6.79 H new ATOM 0 HD11 LEU A 143 -3.768 21.352 -1.553 1.00 7.64 H new ATOM 0 HD12 LEU A 143 -4.475 22.170 -2.967 1.00 7.64 H new ATOM 0 HD13 LEU A 143 -4.889 22.716 -1.324 1.00 7.64 H new ATOM 0 HD21 LEU A 143 -5.149 19.890 -0.137 1.00 6.92 H new ATOM 0 HD22 LEU A 143 -6.334 21.186 0.149 1.00 6.92 H new ATOM 0 HD23 LEU A 143 -6.868 19.624 -0.515 1.00 6.92 H new ATOM 1544 N ASN A 144 -10.445 20.709 -3.680 1.00 7.08 N ATOM 1545 CA ASN A 144 -11.724 21.266 -4.088 1.00 8.03 C ATOM 1546 C ASN A 144 -12.826 20.284 -3.732 1.00 8.20 C ATOM 1547 O ASN A 144 -12.966 19.271 -4.452 1.00 8.61 O ATOM 1548 CB ASN A 144 -11.749 21.549 -5.593 1.00 8.72 C ATOM 1549 CG ASN A 144 -13.015 22.267 -6.031 1.00 9.25 C ATOM 1550 OD1 ASN A 144 -13.050 23.497 -6.109 1.00 9.46 O ATOM 1551 ND2 ASN A 144 -14.065 21.511 -6.320 1.00 9.73 N ATOM 1552 OXT ASN A 144 -13.517 20.500 -2.714 1.00 8.17 O ATOM 0 H ASN A 144 -10.294 19.746 -3.980 1.00 7.08 H new ATOM 0 HA ASN A 144 -11.878 22.210 -3.566 1.00 8.03 H new ATOM 0 HB2 ASN A 144 -10.882 22.153 -5.860 1.00 8.72 H new ATOM 0 HB3 ASN A 144 -11.662 20.609 -6.137 1.00 8.72 H new ATOM 0 HD21 ASN A 144 -14.939 21.944 -6.618 1.00 9.73 H new ATOM 0 HD22 ASN A 144 -13.999 20.496 -6.244 1.00 9.73 H new TER 1559 ASN A 144