USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1047 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 94 LYS NZ :NH3+ 164:sc= 0.685 (180deg=-0.828) USER MOD Set 1.2: A 99 TYR OH : rot 15:sc= -0.294! USER MOD Set 2.1: A 75 THR OG1 : rot 128:sc= 1.92 USER MOD Set 2.2: A 77 CYS SG : rot -22:sc= 2.33 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 72:sc= 1.07 USER MOD Single : A 34 GLN : amide:sc= 0.566 K(o=0.57,f=-1.1) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -147:sc= 0.765 (180deg=-0.482) USER MOD Single : A 42 LYS NZ :NH3+ -140:sc= 0.659 (180deg=-0.389) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.113! X(o=-0.11!,f=-0.065) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 79:sc= 1.23 USER MOD Single : A 53 GLN :FLIP amide:sc= -1.66! C(o=-3.3!,f=-1.7!) USER MOD Single : A 58 ASN : amide:sc= -6.55! C(o=-6.6!,f=-7.1!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.299 K(o=-0.3,f=-11!) USER MOD Single : A 64 TYR OH : rot 165:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -3.08! C(o=-3.1!,f=-4.4!) USER MOD Single : A 69 SER OG : rot -86:sc= 1.26 USER MOD Single : A 72 TYR OH : rot 30:sc= 0.8 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 86 THR OG1 : rot 82:sc= 2.14 USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.039) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.582 USER MOD Single : A 97 LYS NZ :NH3+ -160:sc= -0.115 (180deg=-0.5) USER MOD Single : A 100 TYR OH : rot -94:sc= 0.925 USER MOD Single : A 105 SER OG : rot 170:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -1.05 K(o=-1.1,f=-4.3!) USER MOD Single : A 107 MET CE :methyl 142:sc= -2.14! (180deg=-4.12!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 TYR OH : rot 180:sc= -0.0256 USER MOD Single : A 121 THR OG1 : rot 70:sc= 1.28 USER MOD Single : A 124 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.17) USER MOD Single : A 126 LYS NZ :NH3+ -137:sc= 0.114 (180deg=-2.46) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 130 LYS NZ :NH3+ -153:sc= 0.55 (180deg=0.223) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl -104:sc= -0.994 (180deg=-2.71) USER MOD Single : A 135 LYS NZ :NH3+ -153:sc= 0.732 (180deg=-0.302) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 CYS SG : rot -79:sc= -0.993 USER MOD Single : A 140 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.3!) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN : amide:sc= -0.0218 K(o=-0.022,f=-0.93) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 19 -18.197 -14.313 6.580 1.00 0.78 N ATOM 28 CA PRO A 19 -17.904 -13.098 5.839 1.00 0.70 C ATOM 29 C PRO A 19 -19.164 -12.498 5.244 1.00 0.65 C ATOM 30 O PRO A 19 -20.085 -13.234 4.858 1.00 0.70 O ATOM 31 CB PRO A 19 -16.987 -13.558 4.702 1.00 0.71 C ATOM 32 CG PRO A 19 -16.585 -14.968 5.017 1.00 0.75 C ATOM 33 CD PRO A 19 -17.156 -15.323 6.364 1.00 0.84 C ATOM 0 HA PRO A 19 -17.459 -12.337 6.480 1.00 0.70 H new ATOM 0 HB2 PRO A 19 -17.504 -13.508 3.744 1.00 0.71 H new ATOM 0 HB3 PRO A 19 -16.111 -12.914 4.626 1.00 0.71 H new ATOM 0 HG2 PRO A 19 -16.957 -15.650 4.253 1.00 0.75 H new ATOM 0 HG3 PRO A 19 -15.499 -15.062 5.026 1.00 0.75 H new ATOM 0 HD2 PRO A 19 -17.570 -16.331 6.370 1.00 0.84 H new ATOM 0 HD3 PRO A 19 -16.395 -15.286 7.143 1.00 0.84 H new ATOM 41 N PRO A 20 -19.245 -11.168 5.174 1.00 0.58 N ATOM 42 CA PRO A 20 -20.353 -10.514 4.504 1.00 0.54 C ATOM 43 C PRO A 20 -20.482 -11.055 3.096 1.00 0.55 C ATOM 44 O PRO A 20 -19.501 -11.497 2.501 1.00 0.58 O ATOM 45 CB PRO A 20 -19.965 -9.042 4.495 1.00 0.49 C ATOM 46 CG PRO A 20 -19.007 -8.900 5.631 1.00 0.50 C ATOM 47 CD PRO A 20 -18.274 -10.208 5.720 1.00 0.56 C ATOM 0 HA PRO A 20 -21.314 -10.677 4.992 1.00 0.54 H new ATOM 0 HB2 PRO A 20 -19.503 -8.759 3.549 1.00 0.49 H new ATOM 0 HB3 PRO A 20 -20.837 -8.401 4.629 1.00 0.49 H new ATOM 0 HG2 PRO A 20 -18.315 -8.076 5.457 1.00 0.50 H new ATOM 0 HG3 PRO A 20 -19.533 -8.684 6.561 1.00 0.50 H new ATOM 0 HD2 PRO A 20 -17.351 -10.194 5.141 1.00 0.56 H new ATOM 0 HD3 PRO A 20 -18.002 -10.449 6.748 1.00 0.56 H new ATOM 55 N ALA A 21 -21.682 -11.060 2.580 1.00 0.56 N ATOM 56 CA ALA A 21 -21.938 -11.692 1.309 1.00 0.63 C ATOM 57 C ALA A 21 -21.381 -10.886 0.139 1.00 0.60 C ATOM 58 O ALA A 21 -20.771 -9.836 0.317 1.00 0.60 O ATOM 59 CB ALA A 21 -23.434 -11.913 1.143 1.00 0.72 C ATOM 0 H ALA A 21 -22.499 -10.634 3.018 1.00 0.56 H new ATOM 0 HA ALA A 21 -21.422 -12.652 1.303 1.00 0.63 H new ATOM 0 HB1 ALA A 21 -23.627 -12.391 0.182 1.00 0.72 H new ATOM 0 HB2 ALA A 21 -23.799 -12.553 1.946 1.00 0.72 H new ATOM 0 HB3 ALA A 21 -23.950 -10.954 1.181 1.00 0.72 H new ATOM 65 N ASP A 22 -21.651 -11.416 -1.040 1.00 0.64 N ATOM 66 CA ASP A 22 -21.344 -10.819 -2.341 1.00 0.70 C ATOM 67 C ASP A 22 -21.566 -9.319 -2.353 1.00 0.67 C ATOM 68 O ASP A 22 -20.655 -8.591 -2.019 1.00 1.01 O ATOM 69 CB ASP A 22 -22.169 -11.481 -3.446 1.00 1.01 C ATOM 70 CG ASP A 22 -21.787 -12.927 -3.683 1.00 1.54 C ATOM 71 OD1 ASP A 22 -22.025 -13.762 -2.787 1.00 2.34 O ATOM 72 OD2 ASP A 22 -21.246 -13.237 -4.767 1.00 1.66 O ATOM 0 H ASP A 22 -22.114 -12.321 -1.128 1.00 0.64 H new ATOM 0 HA ASP A 22 -20.285 -10.995 -2.528 1.00 0.70 H new ATOM 0 HB2 ASP A 22 -23.226 -11.428 -3.184 1.00 1.01 H new ATOM 0 HB3 ASP A 22 -22.042 -10.921 -4.372 1.00 1.01 H new ATOM 77 N GLY A 23 -22.687 -8.874 -2.922 1.00 0.72 N ATOM 78 CA GLY A 23 -23.031 -7.448 -2.971 1.00 0.69 C ATOM 79 C GLY A 23 -22.361 -6.579 -1.901 1.00 0.61 C ATOM 80 O GLY A 23 -21.850 -5.517 -2.223 1.00 0.60 O ATOM 0 H GLY A 23 -23.378 -9.484 -3.359 1.00 0.72 H new ATOM 0 HA2 GLY A 23 -22.762 -7.059 -3.953 1.00 0.69 H new ATOM 0 HA3 GLY A 23 -24.112 -7.348 -2.874 1.00 0.69 H new ATOM 84 N ALA A 24 -22.348 -7.030 -0.641 1.00 0.59 N ATOM 85 CA ALA A 24 -21.641 -6.314 0.430 1.00 0.55 C ATOM 86 C ALA A 24 -20.136 -6.245 0.147 1.00 0.48 C ATOM 87 O ALA A 24 -19.548 -5.166 0.086 1.00 0.44 O ATOM 88 CB ALA A 24 -21.881 -6.991 1.774 1.00 0.56 C ATOM 0 H ALA A 24 -22.817 -7.884 -0.338 1.00 0.59 H new ATOM 0 HA ALA A 24 -22.034 -5.298 0.466 1.00 0.55 H new ATOM 0 HB1 ALA A 24 -21.350 -6.447 2.555 1.00 0.56 H new ATOM 0 HB2 ALA A 24 -22.948 -6.993 1.995 1.00 0.56 H new ATOM 0 HB3 ALA A 24 -21.517 -8.018 1.735 1.00 0.56 H new ATOM 94 N LEU A 25 -19.534 -7.415 -0.035 1.00 0.49 N ATOM 95 CA LEU A 25 -18.106 -7.544 -0.308 1.00 0.48 C ATOM 96 C LEU A 25 -17.719 -6.869 -1.617 1.00 0.51 C ATOM 97 O LEU A 25 -16.720 -6.150 -1.688 1.00 0.53 O ATOM 98 CB LEU A 25 -17.713 -9.027 -0.357 1.00 0.47 C ATOM 99 CG LEU A 25 -17.721 -9.751 0.986 1.00 0.48 C ATOM 100 CD1 LEU A 25 -16.654 -10.832 1.017 1.00 0.53 C ATOM 101 CD2 LEU A 25 -17.524 -8.770 2.122 1.00 0.49 C ATOM 0 H LEU A 25 -20.026 -8.308 0.003 1.00 0.49 H new ATOM 0 HA LEU A 25 -17.569 -7.046 0.500 1.00 0.48 H new ATOM 0 HB2 LEU A 25 -18.394 -9.544 -1.033 1.00 0.47 H new ATOM 0 HB3 LEU A 25 -16.715 -9.107 -0.788 1.00 0.47 H new ATOM 0 HG LEU A 25 -18.693 -10.228 1.113 1.00 0.48 H new ATOM 0 HD11 LEU A 25 -16.676 -11.337 1.983 1.00 0.53 H new ATOM 0 HD12 LEU A 25 -16.846 -11.556 0.225 1.00 0.53 H new ATOM 0 HD13 LEU A 25 -15.674 -10.380 0.866 1.00 0.53 H new ATOM 0 HD21 LEU A 25 -17.533 -9.306 3.071 1.00 0.49 H new ATOM 0 HD22 LEU A 25 -16.568 -8.261 2.001 1.00 0.49 H new ATOM 0 HD23 LEU A 25 -18.330 -8.036 2.112 1.00 0.49 H new ATOM 113 N LYS A 26 -18.515 -7.092 -2.649 1.00 0.55 N ATOM 114 CA LYS A 26 -18.232 -6.532 -3.960 1.00 0.59 C ATOM 115 C LYS A 26 -18.459 -5.023 -3.947 1.00 0.52 C ATOM 116 O LYS A 26 -17.922 -4.296 -4.777 1.00 0.53 O ATOM 117 CB LYS A 26 -19.107 -7.188 -5.029 1.00 0.68 C ATOM 118 CG LYS A 26 -20.309 -6.349 -5.417 1.00 0.73 C ATOM 119 CD LYS A 26 -21.301 -7.132 -6.249 1.00 0.82 C ATOM 120 CE LYS A 26 -22.408 -6.232 -6.769 1.00 0.93 C ATOM 121 NZ LYS A 26 -23.345 -6.963 -7.658 1.00 1.53 N ATOM 0 H LYS A 26 -19.363 -7.657 -2.605 1.00 0.55 H new ATOM 0 HA LYS A 26 -17.188 -6.731 -4.201 1.00 0.59 H new ATOM 0 HB2 LYS A 26 -18.503 -7.378 -5.916 1.00 0.68 H new ATOM 0 HB3 LYS A 26 -19.451 -8.156 -4.664 1.00 0.68 H new ATOM 0 HG2 LYS A 26 -20.801 -5.982 -4.516 1.00 0.73 H new ATOM 0 HG3 LYS A 26 -19.976 -5.475 -5.977 1.00 0.73 H new ATOM 0 HD2 LYS A 26 -20.787 -7.602 -7.087 1.00 0.82 H new ATOM 0 HD3 LYS A 26 -21.731 -7.934 -5.649 1.00 0.82 H new ATOM 0 HE2 LYS A 26 -22.959 -5.812 -5.928 1.00 0.93 H new ATOM 0 HE3 LYS A 26 -21.970 -5.395 -7.313 1.00 0.93 H new ATOM 0 HZ1 LYS A 26 -24.085 -6.313 -7.991 1.00 1.53 H new ATOM 0 HZ2 LYS A 26 -22.824 -7.343 -8.474 1.00 1.53 H new ATOM 0 HZ3 LYS A 26 -23.783 -7.746 -7.132 1.00 1.53 H new ATOM 135 N ARG A 27 -19.273 -4.558 -3.012 1.00 0.49 N ATOM 136 CA ARG A 27 -19.483 -3.134 -2.837 1.00 0.45 C ATOM 137 C ARG A 27 -18.270 -2.525 -2.163 1.00 0.39 C ATOM 138 O ARG A 27 -17.912 -1.379 -2.418 1.00 0.37 O ATOM 139 CB ARG A 27 -20.735 -2.868 -2.010 1.00 0.49 C ATOM 140 CG ARG A 27 -20.950 -1.407 -1.668 1.00 0.45 C ATOM 141 CD ARG A 27 -20.998 -0.538 -2.908 1.00 0.51 C ATOM 142 NE ARG A 27 -21.428 0.821 -2.596 1.00 1.11 N ATOM 143 CZ ARG A 27 -21.828 1.708 -3.503 1.00 1.29 C ATOM 144 NH1 ARG A 27 -21.810 1.402 -4.800 1.00 1.01 N ATOM 145 NH2 ARG A 27 -22.247 2.902 -3.106 1.00 2.11 N ATOM 0 H ARG A 27 -19.797 -5.147 -2.365 1.00 0.49 H new ATOM 0 HA ARG A 27 -19.623 -2.676 -3.816 1.00 0.45 H new ATOM 0 HB2 ARG A 27 -21.604 -3.234 -2.557 1.00 0.49 H new ATOM 0 HB3 ARG A 27 -20.676 -3.442 -1.085 1.00 0.49 H new ATOM 0 HG2 ARG A 27 -21.881 -1.298 -1.112 1.00 0.45 H new ATOM 0 HG3 ARG A 27 -20.147 -1.065 -1.016 1.00 0.45 H new ATOM 0 HD2 ARG A 27 -20.012 -0.511 -3.372 1.00 0.51 H new ATOM 0 HD3 ARG A 27 -21.680 -0.978 -3.635 1.00 0.51 H new ATOM 0 HE ARG A 27 -21.421 1.110 -1.618 1.00 1.11 H new ATOM 0 HH11 ARG A 27 -21.488 0.483 -5.103 1.00 1.01 H new ATOM 0 HH12 ARG A 27 -22.118 2.087 -5.490 1.00 1.01 H new ATOM 0 HH21 ARG A 27 -22.261 3.133 -2.113 1.00 2.11 H new ATOM 0 HH22 ARG A 27 -22.556 3.589 -3.794 1.00 2.11 H new ATOM 159 N ALA A 28 -17.633 -3.297 -1.302 1.00 0.39 N ATOM 160 CA ALA A 28 -16.370 -2.881 -0.739 1.00 0.37 C ATOM 161 C ALA A 28 -15.346 -2.789 -1.868 1.00 0.37 C ATOM 162 O ALA A 28 -14.548 -1.853 -1.934 1.00 0.36 O ATOM 163 CB ALA A 28 -15.925 -3.844 0.357 1.00 0.42 C ATOM 0 H ALA A 28 -17.968 -4.206 -0.982 1.00 0.39 H new ATOM 0 HA ALA A 28 -16.470 -1.902 -0.271 1.00 0.37 H new ATOM 0 HB1 ALA A 28 -14.971 -3.512 0.768 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -16.674 -3.865 1.149 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -15.812 -4.844 -0.061 1.00 0.42 H new ATOM 169 N GLU A 29 -15.406 -3.771 -2.767 1.00 0.43 N ATOM 170 CA GLU A 29 -14.667 -3.732 -4.029 1.00 0.47 C ATOM 171 C GLU A 29 -15.028 -2.491 -4.844 1.00 0.45 C ATOM 172 O GLU A 29 -14.171 -1.885 -5.491 1.00 0.48 O ATOM 173 CB GLU A 29 -14.987 -4.980 -4.847 1.00 0.55 C ATOM 174 CG GLU A 29 -14.086 -6.164 -4.558 1.00 0.84 C ATOM 175 CD GLU A 29 -14.382 -7.333 -5.469 1.00 1.52 C ATOM 176 OE1 GLU A 29 -13.808 -7.384 -6.580 1.00 1.83 O ATOM 177 OE2 GLU A 29 -15.200 -8.196 -5.093 1.00 2.41 O ATOM 0 H GLU A 29 -15.967 -4.614 -2.642 1.00 0.43 H new ATOM 0 HA GLU A 29 -13.602 -3.696 -3.798 1.00 0.47 H new ATOM 0 HB2 GLU A 29 -16.020 -5.270 -4.656 1.00 0.55 H new ATOM 0 HB3 GLU A 29 -14.915 -4.734 -5.906 1.00 0.55 H new ATOM 0 HG2 GLU A 29 -13.045 -5.865 -4.677 1.00 0.84 H new ATOM 0 HG3 GLU A 29 -14.212 -6.472 -3.520 1.00 0.84 H new ATOM 184 N GLU A 30 -16.303 -2.121 -4.804 1.00 0.43 N ATOM 185 CA GLU A 30 -16.799 -0.964 -5.532 1.00 0.44 C ATOM 186 C GLU A 30 -16.121 0.283 -5.025 1.00 0.41 C ATOM 187 O GLU A 30 -15.591 1.067 -5.793 1.00 0.48 O ATOM 188 CB GLU A 30 -18.303 -0.801 -5.342 1.00 0.47 C ATOM 189 CG GLU A 30 -19.123 -1.019 -6.593 1.00 0.64 C ATOM 190 CD GLU A 30 -18.589 -0.257 -7.788 1.00 1.23 C ATOM 191 OE1 GLU A 30 -18.888 0.949 -7.906 1.00 1.52 O ATOM 192 OE2 GLU A 30 -17.884 -0.859 -8.623 1.00 1.72 O ATOM 0 H GLU A 30 -17.017 -2.614 -4.268 1.00 0.43 H new ATOM 0 HA GLU A 30 -16.584 -1.116 -6.590 1.00 0.44 H new ATOM 0 HB2 GLU A 30 -18.637 -1.502 -4.578 1.00 0.47 H new ATOM 0 HB3 GLU A 30 -18.502 0.202 -4.963 1.00 0.47 H new ATOM 0 HG2 GLU A 30 -19.144 -2.083 -6.827 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -20.152 -0.714 -6.404 1.00 0.64 H new ATOM 199 N LEU A 31 -16.140 0.440 -3.716 1.00 0.36 N ATOM 200 CA LEU A 31 -15.580 1.607 -3.070 1.00 0.36 C ATOM 201 C LEU A 31 -14.088 1.719 -3.345 1.00 0.37 C ATOM 202 O LEU A 31 -13.571 2.816 -3.498 1.00 0.41 O ATOM 203 CB LEU A 31 -15.860 1.541 -1.579 1.00 0.35 C ATOM 204 CG LEU A 31 -17.335 1.360 -1.230 1.00 0.37 C ATOM 205 CD1 LEU A 31 -17.490 1.088 0.248 1.00 0.37 C ATOM 206 CD2 LEU A 31 -18.149 2.582 -1.625 1.00 0.42 C ATOM 0 H LEU A 31 -16.545 -0.239 -3.071 1.00 0.36 H new ATOM 0 HA LEU A 31 -16.051 2.501 -3.478 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -15.292 0.716 -1.150 1.00 0.35 H new ATOM 0 HB3 LEU A 31 -15.496 2.456 -1.111 1.00 0.35 H new ATOM 0 HG LEU A 31 -17.713 0.507 -1.793 1.00 0.37 H new ATOM 0 HD11 LEU A 31 -18.546 0.961 0.486 1.00 0.37 H new ATOM 0 HD12 LEU A 31 -16.947 0.180 0.510 1.00 0.37 H new ATOM 0 HD13 LEU A 31 -17.089 1.927 0.816 1.00 0.37 H new ATOM 0 HD21 LEU A 31 -19.195 2.422 -1.364 1.00 0.42 H new ATOM 0 HD22 LEU A 31 -17.772 3.457 -1.095 1.00 0.42 H new ATOM 0 HD23 LEU A 31 -18.064 2.744 -2.700 1.00 0.42 H new ATOM 218 N LYS A 32 -13.402 0.581 -3.430 1.00 0.37 N ATOM 219 CA LYS A 32 -12.004 0.561 -3.854 1.00 0.41 C ATOM 220 C LYS A 32 -11.885 1.184 -5.243 1.00 0.43 C ATOM 221 O LYS A 32 -10.952 1.932 -5.538 1.00 0.47 O ATOM 222 CB LYS A 32 -11.479 -0.877 -3.896 1.00 0.44 C ATOM 223 CG LYS A 32 -9.999 -0.984 -4.232 1.00 0.76 C ATOM 224 CD LYS A 32 -9.590 -2.427 -4.489 1.00 0.70 C ATOM 225 CE LYS A 32 -10.018 -2.899 -5.870 1.00 0.67 C ATOM 226 NZ LYS A 32 -9.097 -2.426 -6.942 1.00 1.15 N ATOM 0 H LYS A 32 -13.790 -0.337 -3.212 1.00 0.37 H new ATOM 0 HA LYS A 32 -11.412 1.133 -3.139 1.00 0.41 H new ATOM 0 HB2 LYS A 32 -11.657 -1.346 -2.928 1.00 0.44 H new ATOM 0 HB3 LYS A 32 -12.051 -1.441 -4.633 1.00 0.44 H new ATOM 0 HG2 LYS A 32 -9.780 -0.380 -5.112 1.00 0.76 H new ATOM 0 HG3 LYS A 32 -9.408 -0.577 -3.411 1.00 0.76 H new ATOM 0 HD2 LYS A 32 -8.508 -2.521 -4.392 1.00 0.70 H new ATOM 0 HD3 LYS A 32 -10.035 -3.071 -3.731 1.00 0.70 H new ATOM 0 HE2 LYS A 32 -10.057 -3.988 -5.883 1.00 0.67 H new ATOM 0 HE3 LYS A 32 -11.027 -2.541 -6.077 1.00 0.67 H new ATOM 0 HZ1 LYS A 32 -9.430 -2.773 -7.864 1.00 1.15 H new ATOM 0 HZ2 LYS A 32 -9.078 -1.386 -6.950 1.00 1.15 H new ATOM 0 HZ3 LYS A 32 -8.139 -2.788 -6.761 1.00 1.15 H new ATOM 240 N THR A 33 -12.871 0.887 -6.073 1.00 0.43 N ATOM 241 CA THR A 33 -12.904 1.343 -7.449 1.00 0.47 C ATOM 242 C THR A 33 -13.298 2.825 -7.520 1.00 0.47 C ATOM 243 O THR A 33 -12.652 3.617 -8.208 1.00 0.52 O ATOM 244 CB THR A 33 -13.900 0.483 -8.257 1.00 0.49 C ATOM 245 OG1 THR A 33 -13.615 -0.910 -8.052 1.00 0.50 O ATOM 246 CG2 THR A 33 -13.824 0.788 -9.740 1.00 0.57 C ATOM 0 H THR A 33 -13.675 0.319 -5.807 1.00 0.43 H new ATOM 0 HA THR A 33 -11.908 1.237 -7.879 1.00 0.47 H new ATOM 0 HB THR A 33 -14.904 0.721 -7.906 1.00 0.49 H new ATOM 0 HG1 THR A 33 -13.884 -1.169 -7.146 1.00 0.50 H new ATOM 0 HG21 THR A 33 -14.539 0.164 -10.277 1.00 0.57 H new ATOM 0 HG22 THR A 33 -14.061 1.839 -9.908 1.00 0.57 H new ATOM 0 HG23 THR A 33 -12.817 0.581 -10.103 1.00 0.57 H new ATOM 254 N GLN A 34 -14.351 3.190 -6.794 1.00 0.44 N ATOM 255 CA GLN A 34 -14.814 4.574 -6.737 1.00 0.46 C ATOM 256 C GLN A 34 -13.774 5.474 -6.085 1.00 0.46 C ATOM 257 O GLN A 34 -13.538 6.591 -6.533 1.00 0.51 O ATOM 258 CB GLN A 34 -16.120 4.655 -5.959 1.00 0.48 C ATOM 259 CG GLN A 34 -17.088 3.562 -6.337 1.00 0.50 C ATOM 260 CD GLN A 34 -18.427 3.676 -5.642 1.00 0.75 C ATOM 261 OE1 GLN A 34 -18.534 4.240 -4.556 1.00 1.50 O ATOM 262 NE2 GLN A 34 -19.449 3.093 -6.243 1.00 1.31 N ATOM 0 H GLN A 34 -14.903 2.542 -6.233 1.00 0.44 H new ATOM 0 HA GLN A 34 -14.976 4.918 -7.759 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -15.907 4.594 -4.892 1.00 0.48 H new ATOM 0 HB3 GLN A 34 -16.585 5.625 -6.136 1.00 0.48 H new ATOM 0 HG2 GLN A 34 -17.244 3.583 -7.416 1.00 0.50 H new ATOM 0 HG3 GLN A 34 -16.644 2.596 -6.098 1.00 0.50 H new ATOM 0 HE21 GLN A 34 -19.317 2.635 -7.145 1.00 1.31 H new ATOM 0 HE22 GLN A 34 -20.370 3.101 -5.805 1.00 1.31 H new ATOM 271 N ALA A 35 -13.147 4.984 -5.027 1.00 0.43 N ATOM 272 CA ALA A 35 -12.110 5.739 -4.346 1.00 0.44 C ATOM 273 C ALA A 35 -10.881 5.864 -5.230 1.00 0.48 C ATOM 274 O ALA A 35 -10.098 6.794 -5.085 1.00 0.50 O ATOM 275 CB ALA A 35 -11.753 5.090 -3.028 1.00 0.42 C ATOM 0 H ALA A 35 -13.339 4.067 -4.622 1.00 0.43 H new ATOM 0 HA ALA A 35 -12.492 6.739 -4.139 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -10.974 5.672 -2.535 1.00 0.42 H new ATOM 0 HB2 ALA A 35 -12.636 5.052 -2.390 1.00 0.42 H new ATOM 0 HB3 ALA A 35 -11.391 4.078 -3.207 1.00 0.42 H new ATOM 281 N ASN A 36 -10.715 4.918 -6.145 1.00 0.53 N ATOM 282 CA ASN A 36 -9.675 5.019 -7.161 1.00 0.61 C ATOM 283 C ASN A 36 -10.033 6.130 -8.140 1.00 0.63 C ATOM 284 O ASN A 36 -9.163 6.776 -8.713 1.00 0.67 O ATOM 285 CB ASN A 36 -9.504 3.686 -7.899 1.00 0.69 C ATOM 286 CG ASN A 36 -8.458 3.747 -9.001 1.00 1.28 C ATOM 287 OD1 ASN A 36 -8.765 4.073 -10.146 1.00 1.88 O ATOM 288 ND2 ASN A 36 -7.218 3.418 -8.665 1.00 2.01 N ATOM 0 H ASN A 36 -11.285 4.074 -6.205 1.00 0.53 H new ATOM 0 HA ASN A 36 -8.727 5.256 -6.678 1.00 0.61 H new ATOM 0 HB2 ASN A 36 -9.224 2.914 -7.183 1.00 0.69 H new ATOM 0 HB3 ASN A 36 -10.461 3.390 -8.330 1.00 0.69 H new ATOM 0 HD21 ASN A 36 -6.479 3.430 -9.368 1.00 2.01 H new ATOM 0 HD22 ASN A 36 -7.003 3.153 -7.704 1.00 2.01 H new ATOM 295 N ASP A 37 -11.328 6.364 -8.305 1.00 0.63 N ATOM 296 CA ASP A 37 -11.808 7.449 -9.155 1.00 0.68 C ATOM 297 C ASP A 37 -11.659 8.781 -8.437 1.00 0.65 C ATOM 298 O ASP A 37 -11.391 9.802 -9.062 1.00 0.68 O ATOM 299 CB ASP A 37 -13.262 7.215 -9.567 1.00 0.73 C ATOM 300 CG ASP A 37 -13.680 8.150 -10.689 1.00 0.90 C ATOM 301 OD1 ASP A 37 -13.075 8.083 -11.784 1.00 1.05 O ATOM 302 OD2 ASP A 37 -14.613 8.952 -10.488 1.00 1.04 O ATOM 0 H ASP A 37 -12.067 5.818 -7.862 1.00 0.63 H new ATOM 0 HA ASP A 37 -11.203 7.473 -10.061 1.00 0.68 H new ATOM 0 HB2 ASP A 37 -13.389 6.181 -9.888 1.00 0.73 H new ATOM 0 HB3 ASP A 37 -13.914 7.364 -8.706 1.00 0.73 H new ATOM 307 N TYR A 38 -11.818 8.765 -7.122 1.00 0.60 N ATOM 308 CA TYR A 38 -11.502 9.931 -6.309 1.00 0.58 C ATOM 309 C TYR A 38 -9.999 10.129 -6.245 1.00 0.57 C ATOM 310 O TYR A 38 -9.519 11.250 -6.146 1.00 0.57 O ATOM 311 CB TYR A 38 -12.098 9.802 -4.908 1.00 0.54 C ATOM 312 CG TYR A 38 -13.581 10.087 -4.872 1.00 0.56 C ATOM 313 CD1 TYR A 38 -14.047 11.378 -4.669 1.00 0.59 C ATOM 314 CD2 TYR A 38 -14.513 9.074 -5.056 1.00 0.63 C ATOM 315 CE1 TYR A 38 -15.398 11.652 -4.645 1.00 0.63 C ATOM 316 CE2 TYR A 38 -15.867 9.340 -5.038 1.00 0.67 C ATOM 317 CZ TYR A 38 -16.304 10.631 -4.832 1.00 0.65 C ATOM 318 OH TYR A 38 -17.653 10.903 -4.819 1.00 0.71 O ATOM 0 H TYR A 38 -12.162 7.962 -6.596 1.00 0.60 H new ATOM 0 HA TYR A 38 -11.948 10.809 -6.775 1.00 0.58 H new ATOM 0 HB2 TYR A 38 -11.917 8.795 -4.533 1.00 0.54 H new ATOM 0 HB3 TYR A 38 -11.585 10.489 -4.235 1.00 0.54 H new ATOM 0 HD1 TYR A 38 -13.340 12.182 -4.527 1.00 0.59 H new ATOM 0 HD2 TYR A 38 -14.173 8.062 -5.216 1.00 0.63 H new ATOM 0 HE1 TYR A 38 -15.744 12.662 -4.480 1.00 0.63 H new ATOM 0 HE2 TYR A 38 -16.580 8.542 -5.184 1.00 0.67 H new ATOM 0 HH TYR A 38 -18.155 10.074 -4.967 1.00 0.71 H new ATOM 328 N PHE A 39 -9.259 9.035 -6.321 1.00 0.57 N ATOM 329 CA PHE A 39 -7.821 9.095 -6.454 1.00 0.57 C ATOM 330 C PHE A 39 -7.464 9.780 -7.773 1.00 0.63 C ATOM 331 O PHE A 39 -6.606 10.660 -7.818 1.00 0.67 O ATOM 332 CB PHE A 39 -7.245 7.682 -6.397 1.00 0.58 C ATOM 333 CG PHE A 39 -5.755 7.646 -6.429 1.00 0.58 C ATOM 334 CD1 PHE A 39 -5.080 7.643 -7.634 1.00 0.70 C ATOM 335 CD2 PHE A 39 -5.031 7.627 -5.254 1.00 0.55 C ATOM 336 CE1 PHE A 39 -3.706 7.622 -7.666 1.00 0.73 C ATOM 337 CE2 PHE A 39 -3.656 7.607 -5.279 1.00 0.59 C ATOM 338 CZ PHE A 39 -2.991 7.604 -6.488 1.00 0.65 C ATOM 0 H PHE A 39 -9.639 8.089 -6.292 1.00 0.57 H new ATOM 0 HA PHE A 39 -7.393 9.674 -5.636 1.00 0.57 H new ATOM 0 HB2 PHE A 39 -7.593 7.193 -5.487 1.00 0.58 H new ATOM 0 HB3 PHE A 39 -7.633 7.106 -7.237 1.00 0.58 H new ATOM 0 HD1 PHE A 39 -5.637 7.657 -8.559 1.00 0.70 H new ATOM 0 HD2 PHE A 39 -5.549 7.628 -4.306 1.00 0.55 H new ATOM 0 HE1 PHE A 39 -3.187 7.620 -8.613 1.00 0.73 H new ATOM 0 HE2 PHE A 39 -3.098 7.594 -4.354 1.00 0.59 H new ATOM 0 HZ PHE A 39 -1.911 7.588 -6.511 1.00 0.65 H new ATOM 348 N LYS A 40 -8.148 9.371 -8.839 1.00 0.66 N ATOM 349 CA LYS A 40 -8.032 10.025 -10.137 1.00 0.74 C ATOM 350 C LYS A 40 -8.459 11.483 -10.028 1.00 0.73 C ATOM 351 O LYS A 40 -7.863 12.368 -10.644 1.00 0.79 O ATOM 352 CB LYS A 40 -8.897 9.299 -11.175 1.00 0.82 C ATOM 353 CG LYS A 40 -8.381 7.914 -11.534 1.00 1.18 C ATOM 354 CD LYS A 40 -9.409 7.067 -12.286 1.00 1.09 C ATOM 355 CE LYS A 40 -9.878 7.704 -13.590 1.00 1.56 C ATOM 356 NZ LYS A 40 -10.960 8.709 -13.385 1.00 2.26 N ATOM 0 H LYS A 40 -8.794 8.582 -8.827 1.00 0.66 H new ATOM 0 HA LYS A 40 -6.991 9.985 -10.458 1.00 0.74 H new ATOM 0 HB2 LYS A 40 -9.913 9.211 -10.791 1.00 0.82 H new ATOM 0 HB3 LYS A 40 -8.949 9.904 -12.080 1.00 0.82 H new ATOM 0 HG2 LYS A 40 -7.484 8.014 -12.146 1.00 1.18 H new ATOM 0 HG3 LYS A 40 -8.088 7.394 -10.622 1.00 1.18 H new ATOM 0 HD2 LYS A 40 -8.976 6.090 -12.502 1.00 1.09 H new ATOM 0 HD3 LYS A 40 -10.272 6.898 -11.641 1.00 1.09 H new ATOM 0 HE2 LYS A 40 -9.031 8.184 -14.080 1.00 1.56 H new ATOM 0 HE3 LYS A 40 -10.235 6.924 -14.262 1.00 1.56 H new ATOM 0 HZ1 LYS A 40 -11.603 8.699 -14.203 1.00 2.26 H new ATOM 0 HZ2 LYS A 40 -11.493 8.475 -12.523 1.00 2.26 H new ATOM 0 HZ3 LYS A 40 -10.540 9.655 -13.286 1.00 2.26 H new ATOM 370 N ALA A 41 -9.486 11.723 -9.222 1.00 0.68 N ATOM 371 CA ALA A 41 -9.975 13.071 -8.976 1.00 0.70 C ATOM 372 C ALA A 41 -9.003 13.860 -8.102 1.00 0.71 C ATOM 373 O ALA A 41 -9.148 15.073 -7.940 1.00 0.78 O ATOM 374 CB ALA A 41 -11.345 13.030 -8.317 1.00 0.68 C ATOM 0 H ALA A 41 -9.999 10.995 -8.725 1.00 0.68 H new ATOM 0 HA ALA A 41 -10.058 13.574 -9.939 1.00 0.70 H new ATOM 0 HB1 ALA A 41 -11.695 14.047 -8.141 1.00 0.68 H new ATOM 0 HB2 ALA A 41 -12.048 12.513 -8.970 1.00 0.68 H new ATOM 0 HB3 ALA A 41 -11.276 12.500 -7.367 1.00 0.68 H new ATOM 380 N LYS A 42 -8.033 13.143 -7.526 1.00 0.68 N ATOM 381 CA LYS A 42 -6.988 13.724 -6.679 1.00 0.70 C ATOM 382 C LYS A 42 -7.517 14.051 -5.288 1.00 0.66 C ATOM 383 O LYS A 42 -6.891 14.796 -4.534 1.00 0.70 O ATOM 384 CB LYS A 42 -6.370 14.971 -7.319 1.00 0.82 C ATOM 385 CG LYS A 42 -5.754 14.718 -8.687 1.00 0.96 C ATOM 386 CD LYS A 42 -4.690 13.635 -8.641 1.00 1.41 C ATOM 387 CE LYS A 42 -4.080 13.409 -10.013 1.00 1.57 C ATOM 388 NZ LYS A 42 -5.113 13.059 -11.023 1.00 2.30 N ATOM 0 H LYS A 42 -7.951 12.132 -7.636 1.00 0.68 H new ATOM 0 HA LYS A 42 -6.206 12.971 -6.580 1.00 0.70 H new ATOM 0 HB2 LYS A 42 -7.138 15.738 -7.413 1.00 0.82 H new ATOM 0 HB3 LYS A 42 -5.603 15.368 -6.653 1.00 0.82 H new ATOM 0 HG2 LYS A 42 -6.536 14.428 -9.389 1.00 0.96 H new ATOM 0 HG3 LYS A 42 -5.315 15.642 -9.063 1.00 0.96 H new ATOM 0 HD2 LYS A 42 -3.909 13.918 -7.935 1.00 1.41 H new ATOM 0 HD3 LYS A 42 -5.128 12.706 -8.277 1.00 1.41 H new ATOM 0 HE2 LYS A 42 -3.552 14.309 -10.329 1.00 1.57 H new ATOM 0 HE3 LYS A 42 -3.341 12.609 -9.956 1.00 1.57 H new ATOM 0 HZ1 LYS A 42 -4.746 12.316 -11.652 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -5.967 12.714 -10.541 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -5.349 13.902 -11.584 1.00 2.30 H new ATOM 402 N ASP A 43 -8.655 13.475 -4.940 1.00 0.61 N ATOM 403 CA ASP A 43 -9.216 13.656 -3.615 1.00 0.58 C ATOM 404 C ASP A 43 -8.977 12.404 -2.788 1.00 0.52 C ATOM 405 O ASP A 43 -9.784 11.473 -2.793 1.00 0.54 O ATOM 406 CB ASP A 43 -10.710 13.953 -3.678 1.00 0.61 C ATOM 407 CG ASP A 43 -11.231 14.528 -2.375 1.00 0.61 C ATOM 408 OD1 ASP A 43 -11.309 13.788 -1.377 1.00 0.60 O ATOM 409 OD2 ASP A 43 -11.566 15.729 -2.340 1.00 0.73 O ATOM 0 H ASP A 43 -9.207 12.879 -5.557 1.00 0.61 H new ATOM 0 HA ASP A 43 -8.723 14.510 -3.150 1.00 0.58 H new ATOM 0 HB2 ASP A 43 -10.906 14.655 -4.488 1.00 0.61 H new ATOM 0 HB3 ASP A 43 -11.252 13.037 -3.912 1.00 0.61 H new ATOM 414 N TYR A 44 -7.850 12.376 -2.096 1.00 0.48 N ATOM 415 CA TYR A 44 -7.462 11.213 -1.324 1.00 0.45 C ATOM 416 C TYR A 44 -8.273 11.115 -0.041 1.00 0.44 C ATOM 417 O TYR A 44 -8.331 10.059 0.573 1.00 0.43 O ATOM 418 CB TYR A 44 -5.967 11.281 -1.014 1.00 0.45 C ATOM 419 CG TYR A 44 -5.138 11.602 -2.238 1.00 0.48 C ATOM 420 CD1 TYR A 44 -5.029 10.695 -3.284 1.00 0.49 C ATOM 421 CD2 TYR A 44 -4.481 12.821 -2.356 1.00 0.57 C ATOM 422 CE1 TYR A 44 -4.289 10.992 -4.412 1.00 0.57 C ATOM 423 CE2 TYR A 44 -3.737 13.125 -3.480 1.00 0.65 C ATOM 424 CZ TYR A 44 -3.645 12.209 -4.504 1.00 0.64 C ATOM 425 OH TYR A 44 -2.909 12.508 -5.627 1.00 0.75 O ATOM 0 H TYR A 44 -7.187 13.150 -2.055 1.00 0.48 H new ATOM 0 HA TYR A 44 -7.665 10.318 -1.911 1.00 0.45 H new ATOM 0 HB2 TYR A 44 -5.791 12.039 -0.251 1.00 0.45 H new ATOM 0 HB3 TYR A 44 -5.641 10.328 -0.598 1.00 0.45 H new ATOM 0 HD1 TYR A 44 -5.531 9.741 -3.214 1.00 0.49 H new ATOM 0 HD2 TYR A 44 -4.553 13.543 -1.556 1.00 0.57 H new ATOM 0 HE1 TYR A 44 -4.215 10.276 -5.217 1.00 0.57 H new ATOM 0 HE2 TYR A 44 -3.230 14.076 -3.555 1.00 0.65 H new ATOM 0 HH TYR A 44 -2.521 13.403 -5.535 1.00 0.75 H new ATOM 435 N GLU A 45 -8.919 12.208 0.339 1.00 0.48 N ATOM 436 CA GLU A 45 -9.712 12.243 1.564 1.00 0.50 C ATOM 437 C GLU A 45 -10.983 11.467 1.399 1.00 0.46 C ATOM 438 O GLU A 45 -11.333 10.636 2.242 1.00 0.43 O ATOM 439 CB GLU A 45 -10.053 13.666 1.939 1.00 0.61 C ATOM 440 CG GLU A 45 -8.824 14.480 2.143 1.00 0.76 C ATOM 441 CD GLU A 45 -9.113 15.899 2.577 1.00 0.87 C ATOM 442 OE1 GLU A 45 -9.638 16.682 1.759 1.00 1.47 O ATOM 443 OE2 GLU A 45 -8.825 16.233 3.745 1.00 1.17 O ATOM 0 H GLU A 45 -8.911 13.084 -0.183 1.00 0.48 H new ATOM 0 HA GLU A 45 -9.113 11.792 2.355 1.00 0.50 H new ATOM 0 HB2 GLU A 45 -10.663 14.115 1.155 1.00 0.61 H new ATOM 0 HB3 GLU A 45 -10.651 13.671 2.850 1.00 0.61 H new ATOM 0 HG2 GLU A 45 -8.198 13.998 2.894 1.00 0.76 H new ATOM 0 HG3 GLU A 45 -8.252 14.500 1.216 1.00 0.76 H new ATOM 450 N ASN A 46 -11.684 11.744 0.321 1.00 0.48 N ATOM 451 CA ASN A 46 -12.893 11.028 0.057 1.00 0.48 C ATOM 452 C ASN A 46 -12.553 9.590 -0.277 1.00 0.43 C ATOM 453 O ASN A 46 -13.291 8.671 0.059 1.00 0.43 O ATOM 454 CB ASN A 46 -13.712 11.668 -1.068 1.00 0.53 C ATOM 455 CG ASN A 46 -14.517 12.863 -0.595 1.00 0.60 C ATOM 456 OD1 ASN A 46 -15.671 12.728 -0.184 1.00 0.66 O ATOM 457 ND2 ASN A 46 -13.919 14.039 -0.651 1.00 0.63 N ATOM 0 H ASN A 46 -11.435 12.450 -0.372 1.00 0.48 H new ATOM 0 HA ASN A 46 -13.515 11.064 0.952 1.00 0.48 H new ATOM 0 HB2 ASN A 46 -13.041 11.980 -1.869 1.00 0.53 H new ATOM 0 HB3 ASN A 46 -14.387 10.924 -1.490 1.00 0.53 H new ATOM 0 HD21 ASN A 46 -14.414 14.878 -0.347 1.00 0.63 H new ATOM 0 HD22 ASN A 46 -12.962 14.109 -0.998 1.00 0.63 H new ATOM 464 N ALA A 47 -11.406 9.405 -0.922 1.00 0.41 N ATOM 465 CA ALA A 47 -10.876 8.075 -1.166 1.00 0.38 C ATOM 466 C ALA A 47 -10.672 7.348 0.161 1.00 0.34 C ATOM 467 O ALA A 47 -11.114 6.214 0.329 1.00 0.32 O ATOM 468 CB ALA A 47 -9.574 8.163 -1.948 1.00 0.40 C ATOM 0 H ALA A 47 -10.827 10.163 -1.284 1.00 0.41 H new ATOM 0 HA ALA A 47 -11.589 7.507 -1.763 1.00 0.38 H new ATOM 0 HB1 ALA A 47 -9.187 7.159 -2.124 1.00 0.40 H new ATOM 0 HB2 ALA A 47 -9.756 8.655 -2.904 1.00 0.40 H new ATOM 0 HB3 ALA A 47 -8.845 8.738 -1.377 1.00 0.40 H new ATOM 474 N ILE A 48 -10.019 8.030 1.103 1.00 0.34 N ATOM 475 CA ILE A 48 -9.840 7.531 2.469 1.00 0.32 C ATOM 476 C ILE A 48 -11.178 7.092 3.063 1.00 0.29 C ATOM 477 O ILE A 48 -11.278 6.035 3.689 1.00 0.28 O ATOM 478 CB ILE A 48 -9.183 8.618 3.370 1.00 0.35 C ATOM 479 CG1 ILE A 48 -7.684 8.709 3.081 1.00 0.37 C ATOM 480 CG2 ILE A 48 -9.421 8.358 4.853 1.00 0.39 C ATOM 481 CD1 ILE A 48 -6.994 9.854 3.792 1.00 0.42 C ATOM 0 H ILE A 48 -9.598 8.945 0.941 1.00 0.34 H new ATOM 0 HA ILE A 48 -9.177 6.666 2.429 1.00 0.32 H new ATOM 0 HB ILE A 48 -9.656 9.570 3.128 1.00 0.35 H new ATOM 0 HG12 ILE A 48 -7.209 7.773 3.374 1.00 0.37 H new ATOM 0 HG13 ILE A 48 -7.536 8.819 2.007 1.00 0.37 H new ATOM 0 HG21 ILE A 48 -8.944 9.142 5.441 1.00 0.39 H new ATOM 0 HG22 ILE A 48 -10.492 8.354 5.054 1.00 0.39 H new ATOM 0 HG23 ILE A 48 -8.997 7.391 5.126 1.00 0.39 H new ATOM 0 HD11 ILE A 48 -5.934 9.854 3.538 1.00 0.42 H new ATOM 0 HD12 ILE A 48 -7.441 10.798 3.481 1.00 0.42 H new ATOM 0 HD13 ILE A 48 -7.109 9.736 4.869 1.00 0.42 H new ATOM 493 N LYS A 49 -12.202 7.901 2.836 1.00 0.31 N ATOM 494 CA LYS A 49 -13.555 7.586 3.275 1.00 0.32 C ATOM 495 C LYS A 49 -14.059 6.291 2.642 1.00 0.27 C ATOM 496 O LYS A 49 -14.448 5.360 3.344 1.00 0.27 O ATOM 497 CB LYS A 49 -14.498 8.733 2.916 1.00 0.39 C ATOM 498 CG LYS A 49 -15.960 8.330 2.903 1.00 0.44 C ATOM 499 CD LYS A 49 -16.809 9.366 2.194 1.00 0.63 C ATOM 500 CE LYS A 49 -18.213 8.848 1.964 1.00 1.02 C ATOM 501 NZ LYS A 49 -19.009 8.820 3.218 1.00 1.50 N ATOM 0 H LYS A 49 -12.120 8.791 2.344 1.00 0.31 H new ATOM 0 HA LYS A 49 -13.534 7.451 4.356 1.00 0.32 H new ATOM 0 HB2 LYS A 49 -14.359 9.545 3.630 1.00 0.39 H new ATOM 0 HB3 LYS A 49 -14.227 9.122 1.934 1.00 0.39 H new ATOM 0 HG2 LYS A 49 -16.069 7.366 2.407 1.00 0.44 H new ATOM 0 HG3 LYS A 49 -16.314 8.204 3.926 1.00 0.44 H new ATOM 0 HD2 LYS A 49 -16.847 10.279 2.788 1.00 0.63 H new ATOM 0 HD3 LYS A 49 -16.352 9.625 1.239 1.00 0.63 H new ATOM 0 HE2 LYS A 49 -18.716 9.477 1.230 1.00 1.02 H new ATOM 0 HE3 LYS A 49 -18.164 7.844 1.543 1.00 1.02 H new ATOM 0 HZ1 LYS A 49 -19.963 8.459 3.016 1.00 1.50 H new ATOM 0 HZ2 LYS A 49 -18.544 8.199 3.911 1.00 1.50 H new ATOM 0 HZ3 LYS A 49 -19.078 9.782 3.607 1.00 1.50 H new ATOM 515 N PHE A 50 -14.048 6.236 1.313 1.00 0.27 N ATOM 516 CA PHE A 50 -14.563 5.076 0.588 1.00 0.27 C ATOM 517 C PHE A 50 -13.762 3.821 0.916 1.00 0.23 C ATOM 518 O PHE A 50 -14.300 2.716 0.923 1.00 0.25 O ATOM 519 CB PHE A 50 -14.575 5.340 -0.921 1.00 0.35 C ATOM 520 CG PHE A 50 -15.700 6.236 -1.366 1.00 0.43 C ATOM 521 CD1 PHE A 50 -15.597 7.612 -1.265 1.00 0.71 C ATOM 522 CD2 PHE A 50 -16.864 5.697 -1.884 1.00 0.56 C ATOM 523 CE1 PHE A 50 -16.630 8.433 -1.670 1.00 0.81 C ATOM 524 CE2 PHE A 50 -17.902 6.512 -2.292 1.00 0.65 C ATOM 525 CZ PHE A 50 -17.785 7.883 -2.184 1.00 0.66 C ATOM 0 H PHE A 50 -13.688 6.980 0.715 1.00 0.27 H new ATOM 0 HA PHE A 50 -15.590 4.907 0.911 1.00 0.27 H new ATOM 0 HB2 PHE A 50 -13.626 5.791 -1.210 1.00 0.35 H new ATOM 0 HB3 PHE A 50 -14.649 4.388 -1.448 1.00 0.35 H new ATOM 0 HD1 PHE A 50 -14.695 8.050 -0.863 1.00 0.71 H new ATOM 0 HD2 PHE A 50 -16.962 4.625 -1.971 1.00 0.56 H new ATOM 0 HE1 PHE A 50 -16.534 9.505 -1.584 1.00 0.81 H new ATOM 0 HE2 PHE A 50 -18.804 6.077 -2.695 1.00 0.65 H new ATOM 0 HZ PHE A 50 -18.595 8.523 -2.501 1.00 0.66 H new ATOM 535 N TYR A 51 -12.488 3.999 1.220 1.00 0.23 N ATOM 536 CA TYR A 51 -11.653 2.879 1.646 1.00 0.25 C ATOM 537 C TYR A 51 -12.091 2.398 3.025 1.00 0.21 C ATOM 538 O TYR A 51 -12.195 1.196 3.273 1.00 0.23 O ATOM 539 CB TYR A 51 -10.169 3.262 1.670 1.00 0.31 C ATOM 540 CG TYR A 51 -9.571 3.520 0.304 1.00 0.43 C ATOM 541 CD1 TYR A 51 -9.973 2.787 -0.807 1.00 0.53 C ATOM 542 CD2 TYR A 51 -8.597 4.497 0.127 1.00 0.51 C ATOM 543 CE1 TYR A 51 -9.423 3.023 -2.054 1.00 0.67 C ATOM 544 CE2 TYR A 51 -8.046 4.739 -1.117 1.00 0.65 C ATOM 545 CZ TYR A 51 -8.459 3.999 -2.203 1.00 0.72 C ATOM 546 OH TYR A 51 -7.915 4.241 -3.444 1.00 0.88 O ATOM 0 H TYR A 51 -12.008 4.898 1.182 1.00 0.23 H new ATOM 0 HA TYR A 51 -11.779 2.073 0.923 1.00 0.25 H new ATOM 0 HB2 TYR A 51 -10.046 4.155 2.282 1.00 0.31 H new ATOM 0 HB3 TYR A 51 -9.607 2.464 2.155 1.00 0.31 H new ATOM 0 HD1 TYR A 51 -10.726 2.021 -0.695 1.00 0.53 H new ATOM 0 HD2 TYR A 51 -8.266 5.076 0.976 1.00 0.51 H new ATOM 0 HE1 TYR A 51 -9.747 2.446 -2.907 1.00 0.67 H new ATOM 0 HE2 TYR A 51 -7.295 5.505 -1.237 1.00 0.65 H new ATOM 0 HH TYR A 51 -7.252 4.959 -3.376 1.00 0.88 H new ATOM 556 N SER A 52 -12.372 3.344 3.911 1.00 0.20 N ATOM 557 CA SER A 52 -12.859 3.022 5.242 1.00 0.22 C ATOM 558 C SER A 52 -14.206 2.322 5.138 1.00 0.22 C ATOM 559 O SER A 52 -14.457 1.324 5.812 1.00 0.23 O ATOM 560 CB SER A 52 -12.979 4.297 6.080 1.00 0.25 C ATOM 561 OG SER A 52 -11.731 4.968 6.160 1.00 0.56 O ATOM 0 H SER A 52 -12.270 4.343 3.730 1.00 0.20 H new ATOM 0 HA SER A 52 -12.152 2.353 5.733 1.00 0.22 H new ATOM 0 HB2 SER A 52 -13.725 4.958 5.639 1.00 0.25 H new ATOM 0 HB3 SER A 52 -13.327 4.047 7.082 1.00 0.25 H new ATOM 0 HG SER A 52 -11.572 5.463 5.329 1.00 0.56 H new ATOM 567 N GLN A 53 -15.054 2.836 4.253 1.00 0.24 N ATOM 568 CA GLN A 53 -16.360 2.251 4.000 1.00 0.27 C ATOM 569 C GLN A 53 -16.231 0.801 3.540 1.00 0.26 C ATOM 570 O GLN A 53 -17.056 -0.041 3.879 1.00 0.30 O ATOM 571 CB GLN A 53 -17.111 3.063 2.946 1.00 0.31 C ATOM 572 CG GLN A 53 -17.496 4.457 3.396 1.00 0.37 C ATOM 573 CD GLN A 53 -18.601 5.046 2.542 1.00 0.49 C ATOM 574 OE1 GLN A 53 -18.236 5.717 1.462 1.00 1.12 O flip ATOM 575 NE2 GLN A 53 -19.778 4.888 2.848 1.00 0.94 N flip ATOM 0 H GLN A 53 -14.854 3.666 3.695 1.00 0.24 H new ATOM 0 HA GLN A 53 -16.922 2.269 4.934 1.00 0.27 H new ATOM 0 HB2 GLN A 53 -16.491 3.140 2.053 1.00 0.31 H new ATOM 0 HB3 GLN A 53 -18.014 2.522 2.662 1.00 0.31 H new ATOM 0 HG2 GLN A 53 -17.820 4.425 4.436 1.00 0.37 H new ATOM 0 HG3 GLN A 53 -16.621 5.106 3.354 1.00 0.37 H new ATOM 0 HE21 GLN A 53 -20.020 4.364 3.689 1.00 0.94 H new ATOM 0 HE22 GLN A 53 -20.515 5.280 2.261 1.00 0.94 H new ATOM 584 N ALA A 54 -15.186 0.511 2.776 1.00 0.23 N ATOM 585 CA ALA A 54 -14.926 -0.849 2.320 1.00 0.24 C ATOM 586 C ALA A 54 -14.616 -1.761 3.506 1.00 0.23 C ATOM 587 O ALA A 54 -14.958 -2.943 3.504 1.00 0.25 O ATOM 588 CB ALA A 54 -13.781 -0.856 1.319 1.00 0.25 C ATOM 0 H ALA A 54 -14.504 1.200 2.459 1.00 0.23 H new ATOM 0 HA ALA A 54 -15.819 -1.230 1.825 1.00 0.24 H new ATOM 0 HB1 ALA A 54 -13.596 -1.877 0.985 1.00 0.25 H new ATOM 0 HB2 ALA A 54 -14.043 -0.236 0.462 1.00 0.25 H new ATOM 0 HB3 ALA A 54 -12.882 -0.460 1.792 1.00 0.25 H new ATOM 594 N ILE A 55 -13.990 -1.185 4.524 1.00 0.22 N ATOM 595 CA ILE A 55 -13.655 -1.905 5.755 1.00 0.22 C ATOM 596 C ILE A 55 -14.859 -1.926 6.699 1.00 0.24 C ATOM 597 O ILE A 55 -14.841 -2.543 7.766 1.00 0.27 O ATOM 598 CB ILE A 55 -12.451 -1.241 6.453 1.00 0.23 C ATOM 599 CG1 ILE A 55 -11.332 -1.019 5.439 1.00 0.24 C ATOM 600 CG2 ILE A 55 -11.949 -2.094 7.612 1.00 0.27 C ATOM 601 CD1 ILE A 55 -10.369 0.068 5.836 1.00 0.28 C ATOM 0 H ILE A 55 -13.699 -0.207 4.524 1.00 0.22 H new ATOM 0 HA ILE A 55 -13.390 -2.930 5.496 1.00 0.22 H new ATOM 0 HB ILE A 55 -12.771 -0.281 6.858 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -10.782 -1.951 5.307 1.00 0.24 H new ATOM 0 HG13 ILE A 55 -11.772 -0.769 4.473 1.00 0.24 H new ATOM 0 HG21 ILE A 55 -11.100 -1.601 8.085 1.00 0.27 H new ATOM 0 HG22 ILE A 55 -12.748 -2.222 8.342 1.00 0.27 H new ATOM 0 HG23 ILE A 55 -11.640 -3.070 7.238 1.00 0.27 H new ATOM 0 HD11 ILE A 55 -9.601 0.171 5.070 1.00 0.28 H new ATOM 0 HD12 ILE A 55 -10.907 1.010 5.940 1.00 0.28 H new ATOM 0 HD13 ILE A 55 -9.901 -0.189 6.786 1.00 0.28 H new ATOM 613 N GLU A 56 -15.904 -1.226 6.303 1.00 0.27 N ATOM 614 CA GLU A 56 -17.175 -1.295 7.003 1.00 0.31 C ATOM 615 C GLU A 56 -18.039 -2.383 6.381 1.00 0.31 C ATOM 616 O GLU A 56 -18.935 -2.932 7.023 1.00 0.34 O ATOM 617 CB GLU A 56 -17.883 0.055 6.917 1.00 0.34 C ATOM 618 CG GLU A 56 -17.016 1.210 7.379 1.00 0.36 C ATOM 619 CD GLU A 56 -16.958 1.340 8.887 1.00 0.45 C ATOM 620 OE1 GLU A 56 -16.984 0.299 9.573 1.00 0.78 O ATOM 621 OE2 GLU A 56 -16.862 2.479 9.396 1.00 0.81 O ATOM 0 H GLU A 56 -15.899 -0.600 5.497 1.00 0.27 H new ATOM 0 HA GLU A 56 -17.002 -1.535 8.052 1.00 0.31 H new ATOM 0 HB2 GLU A 56 -18.194 0.231 5.887 1.00 0.34 H new ATOM 0 HB3 GLU A 56 -18.789 0.023 7.523 1.00 0.34 H new ATOM 0 HG2 GLU A 56 -16.006 1.076 6.992 1.00 0.36 H new ATOM 0 HG3 GLU A 56 -17.400 2.138 6.954 1.00 0.36 H new ATOM 628 N LEU A 57 -17.758 -2.689 5.123 1.00 0.31 N ATOM 629 CA LEU A 57 -18.513 -3.696 4.393 1.00 0.33 C ATOM 630 C LEU A 57 -17.853 -5.057 4.535 1.00 0.33 C ATOM 631 O LEU A 57 -18.516 -6.044 4.837 1.00 0.40 O ATOM 632 CB LEU A 57 -18.627 -3.301 2.927 1.00 0.34 C ATOM 633 CG LEU A 57 -19.154 -1.888 2.699 1.00 0.35 C ATOM 634 CD1 LEU A 57 -19.179 -1.562 1.229 1.00 0.37 C ATOM 635 CD2 LEU A 57 -20.535 -1.721 3.300 1.00 0.40 C ATOM 0 H LEU A 57 -17.010 -2.252 4.585 1.00 0.31 H new ATOM 0 HA LEU A 57 -19.517 -3.760 4.813 1.00 0.33 H new ATOM 0 HB2 LEU A 57 -17.646 -3.390 2.461 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -19.285 -4.008 2.422 1.00 0.34 H new ATOM 0 HG LEU A 57 -18.479 -1.193 3.198 1.00 0.35 H new ATOM 0 HD11 LEU A 57 -19.558 -0.550 1.087 1.00 0.37 H new ATOM 0 HD12 LEU A 57 -18.170 -1.632 0.824 1.00 0.37 H new ATOM 0 HD13 LEU A 57 -19.828 -2.268 0.711 1.00 0.37 H new ATOM 0 HD21 LEU A 57 -20.888 -0.705 3.124 1.00 0.40 H new ATOM 0 HD22 LEU A 57 -21.222 -2.429 2.836 1.00 0.40 H new ATOM 0 HD23 LEU A 57 -20.490 -1.908 4.373 1.00 0.40 H new ATOM 647 N ASN A 58 -16.548 -5.103 4.311 1.00 0.29 N ATOM 648 CA ASN A 58 -15.764 -6.280 4.629 1.00 0.30 C ATOM 649 C ASN A 58 -14.906 -5.908 5.838 1.00 0.30 C ATOM 650 O ASN A 58 -14.872 -4.743 6.199 1.00 0.34 O ATOM 651 CB ASN A 58 -14.919 -6.605 3.375 1.00 0.35 C ATOM 652 CG ASN A 58 -13.896 -7.715 3.543 1.00 0.59 C ATOM 653 OD1 ASN A 58 -12.774 -7.482 3.990 1.00 1.53 O ATOM 654 ND2 ASN A 58 -14.263 -8.925 3.154 1.00 0.57 N ATOM 0 H ASN A 58 -16.011 -4.335 3.909 1.00 0.29 H new ATOM 0 HA ASN A 58 -16.355 -7.161 4.878 1.00 0.30 H new ATOM 0 HB2 ASN A 58 -15.595 -6.878 2.564 1.00 0.35 H new ATOM 0 HB3 ASN A 58 -14.398 -5.699 3.065 1.00 0.35 H new ATOM 0 HD21 ASN A 58 -13.606 -9.703 3.220 1.00 0.57 H new ATOM 0 HD22 ASN A 58 -15.202 -9.080 2.788 1.00 0.57 H new ATOM 661 N PRO A 59 -14.214 -6.836 6.502 1.00 0.31 N ATOM 662 CA PRO A 59 -13.277 -6.475 7.549 1.00 0.35 C ATOM 663 C PRO A 59 -11.787 -6.641 7.218 1.00 0.35 C ATOM 664 O PRO A 59 -11.108 -5.683 6.848 1.00 0.35 O ATOM 665 CB PRO A 59 -13.711 -7.425 8.652 1.00 0.41 C ATOM 666 CG PRO A 59 -14.195 -8.665 7.937 1.00 0.41 C ATOM 667 CD PRO A 59 -14.434 -8.280 6.487 1.00 0.34 C ATOM 0 HA PRO A 59 -13.319 -5.410 7.778 1.00 0.35 H new ATOM 0 HB2 PRO A 59 -12.883 -7.655 9.323 1.00 0.41 H new ATOM 0 HB3 PRO A 59 -14.502 -6.987 9.261 1.00 0.41 H new ATOM 0 HG2 PRO A 59 -13.456 -9.463 8.007 1.00 0.41 H new ATOM 0 HG3 PRO A 59 -15.112 -9.039 8.392 1.00 0.41 H new ATOM 0 HD2 PRO A 59 -13.744 -8.788 5.813 1.00 0.34 H new ATOM 0 HD3 PRO A 59 -15.443 -8.533 6.161 1.00 0.34 H new ATOM 675 N SER A 60 -11.299 -7.868 7.358 1.00 0.44 N ATOM 676 CA SER A 60 -9.876 -8.154 7.398 1.00 0.49 C ATOM 677 C SER A 60 -9.268 -8.274 6.004 1.00 0.49 C ATOM 678 O SER A 60 -8.484 -9.186 5.730 1.00 0.68 O ATOM 679 CB SER A 60 -9.674 -9.455 8.170 1.00 0.63 C ATOM 680 OG SER A 60 -10.389 -9.432 9.397 1.00 1.52 O ATOM 0 H SER A 60 -11.887 -8.697 7.447 1.00 0.44 H new ATOM 0 HA SER A 60 -9.368 -7.324 7.890 1.00 0.49 H new ATOM 0 HB2 SER A 60 -10.009 -10.297 7.565 1.00 0.63 H new ATOM 0 HB3 SER A 60 -8.612 -9.605 8.366 1.00 0.63 H new ATOM 0 HG SER A 60 -10.247 -10.276 9.874 1.00 1.52 H new ATOM 686 N ASN A 61 -9.608 -7.342 5.134 1.00 0.43 N ATOM 687 CA ASN A 61 -9.074 -7.343 3.786 1.00 0.45 C ATOM 688 C ASN A 61 -7.816 -6.489 3.725 1.00 0.38 C ATOM 689 O ASN A 61 -7.875 -5.259 3.830 1.00 0.34 O ATOM 690 CB ASN A 61 -10.115 -6.830 2.791 1.00 0.48 C ATOM 691 CG ASN A 61 -9.719 -7.058 1.346 1.00 0.79 C ATOM 692 OD1 ASN A 61 -8.541 -7.039 0.997 1.00 1.76 O ATOM 693 ND2 ASN A 61 -10.705 -7.293 0.499 1.00 1.07 N ATOM 0 H ASN A 61 -10.250 -6.576 5.336 1.00 0.43 H new ATOM 0 HA ASN A 61 -8.820 -8.367 3.514 1.00 0.45 H new ATOM 0 HB2 ASN A 61 -11.067 -7.325 2.983 1.00 0.48 H new ATOM 0 HB3 ASN A 61 -10.271 -5.764 2.955 1.00 0.48 H new ATOM 0 HD21 ASN A 61 -10.501 -7.467 -0.485 1.00 1.07 H new ATOM 0 HD22 ASN A 61 -11.670 -7.300 0.829 1.00 1.07 H new ATOM 700 N ALA A 62 -6.680 -7.151 3.543 1.00 0.42 N ATOM 701 CA ALA A 62 -5.383 -6.483 3.527 1.00 0.42 C ATOM 702 C ALA A 62 -5.283 -5.477 2.392 1.00 0.37 C ATOM 703 O ALA A 62 -4.448 -4.577 2.414 1.00 0.38 O ATOM 704 CB ALA A 62 -4.273 -7.509 3.411 1.00 0.52 C ATOM 0 H ALA A 62 -6.631 -8.160 3.403 1.00 0.42 H new ATOM 0 HA ALA A 62 -5.278 -5.937 4.465 1.00 0.42 H new ATOM 0 HB1 ALA A 62 -3.308 -7.002 3.400 1.00 0.52 H new ATOM 0 HB2 ALA A 62 -4.316 -8.189 4.262 1.00 0.52 H new ATOM 0 HB3 ALA A 62 -4.396 -8.075 2.488 1.00 0.52 H new ATOM 710 N ILE A 63 -6.146 -5.626 1.409 1.00 0.36 N ATOM 711 CA ILE A 63 -6.128 -4.768 0.246 1.00 0.35 C ATOM 712 C ILE A 63 -6.813 -3.437 0.539 1.00 0.31 C ATOM 713 O ILE A 63 -6.363 -2.396 0.077 1.00 0.34 O ATOM 714 CB ILE A 63 -6.788 -5.479 -0.943 1.00 0.43 C ATOM 715 CG1 ILE A 63 -6.042 -6.785 -1.195 1.00 0.57 C ATOM 716 CG2 ILE A 63 -6.778 -4.595 -2.183 1.00 0.49 C ATOM 717 CD1 ILE A 63 -6.755 -7.727 -2.120 1.00 0.74 C ATOM 0 H ILE A 63 -6.874 -6.340 1.394 1.00 0.36 H new ATOM 0 HA ILE A 63 -5.091 -4.554 -0.012 1.00 0.35 H new ATOM 0 HB ILE A 63 -7.832 -5.690 -0.712 1.00 0.43 H new ATOM 0 HG12 ILE A 63 -5.061 -6.556 -1.611 1.00 0.57 H new ATOM 0 HG13 ILE A 63 -5.875 -7.286 -0.241 1.00 0.57 H new ATOM 0 HG21 ILE A 63 -7.252 -5.123 -3.010 1.00 0.49 H new ATOM 0 HG22 ILE A 63 -7.326 -3.675 -1.979 1.00 0.49 H new ATOM 0 HG23 ILE A 63 -5.749 -4.353 -2.449 1.00 0.49 H new ATOM 0 HD11 ILE A 63 -6.160 -8.631 -2.248 1.00 0.74 H new ATOM 0 HD12 ILE A 63 -7.725 -7.988 -1.697 1.00 0.74 H new ATOM 0 HD13 ILE A 63 -6.899 -7.247 -3.088 1.00 0.74 H new ATOM 729 N TYR A 64 -7.872 -3.458 1.347 1.00 0.29 N ATOM 730 CA TYR A 64 -8.548 -2.215 1.717 1.00 0.28 C ATOM 731 C TYR A 64 -7.677 -1.407 2.662 1.00 0.30 C ATOM 732 O TYR A 64 -7.654 -0.176 2.610 1.00 0.34 O ATOM 733 CB TYR A 64 -9.903 -2.492 2.358 1.00 0.26 C ATOM 734 CG TYR A 64 -10.851 -3.217 1.441 1.00 0.26 C ATOM 735 CD1 TYR A 64 -10.811 -3.012 0.067 1.00 0.28 C ATOM 736 CD2 TYR A 64 -11.770 -4.120 1.943 1.00 0.38 C ATOM 737 CE1 TYR A 64 -11.662 -3.688 -0.777 1.00 0.30 C ATOM 738 CE2 TYR A 64 -12.622 -4.806 1.105 1.00 0.43 C ATOM 739 CZ TYR A 64 -12.565 -4.588 -0.256 1.00 0.35 C ATOM 740 OH TYR A 64 -13.403 -5.278 -1.095 1.00 0.42 O ATOM 0 H TYR A 64 -8.274 -4.304 1.751 1.00 0.29 H new ATOM 0 HA TYR A 64 -8.717 -1.640 0.807 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -9.757 -3.084 3.262 1.00 0.26 H new ATOM 0 HB3 TYR A 64 -10.353 -1.548 2.664 1.00 0.26 H new ATOM 0 HD1 TYR A 64 -10.100 -2.311 -0.345 1.00 0.28 H new ATOM 0 HD2 TYR A 64 -11.821 -4.290 3.008 1.00 0.38 H new ATOM 0 HE1 TYR A 64 -11.622 -3.514 -1.842 1.00 0.30 H new ATOM 0 HE2 TYR A 64 -13.331 -5.511 1.512 1.00 0.43 H new ATOM 0 HH TYR A 64 -13.801 -6.032 -0.612 1.00 0.42 H new ATOM 750 N TYR A 65 -6.956 -2.110 3.522 1.00 0.30 N ATOM 751 CA TYR A 65 -5.973 -1.475 4.386 1.00 0.32 C ATOM 752 C TYR A 65 -4.764 -1.031 3.562 1.00 0.33 C ATOM 753 O TYR A 65 -4.075 -0.075 3.903 1.00 0.37 O ATOM 754 CB TYR A 65 -5.556 -2.429 5.510 1.00 0.34 C ATOM 755 CG TYR A 65 -6.544 -2.483 6.660 1.00 0.36 C ATOM 756 CD1 TYR A 65 -7.744 -3.186 6.563 1.00 0.37 C ATOM 757 CD2 TYR A 65 -6.274 -1.822 7.851 1.00 0.51 C ATOM 758 CE1 TYR A 65 -8.638 -3.224 7.618 1.00 0.40 C ATOM 759 CE2 TYR A 65 -7.161 -1.858 8.909 1.00 0.58 C ATOM 760 CZ TYR A 65 -8.340 -2.557 8.790 1.00 0.47 C ATOM 761 OH TYR A 65 -9.222 -2.589 9.847 1.00 0.55 O ATOM 0 H TYR A 65 -7.033 -3.120 3.640 1.00 0.30 H new ATOM 0 HA TYR A 65 -6.418 -0.592 4.845 1.00 0.32 H new ATOM 0 HB2 TYR A 65 -5.436 -3.431 5.098 1.00 0.34 H new ATOM 0 HB3 TYR A 65 -4.583 -2.122 5.893 1.00 0.34 H new ATOM 0 HD1 TYR A 65 -7.980 -3.710 5.648 1.00 0.37 H new ATOM 0 HD2 TYR A 65 -5.352 -1.269 7.952 1.00 0.51 H new ATOM 0 HE1 TYR A 65 -9.564 -3.772 7.526 1.00 0.40 H new ATOM 0 HE2 TYR A 65 -6.930 -1.339 9.827 1.00 0.58 H new ATOM 0 HH TYR A 65 -8.857 -2.069 10.593 1.00 0.55 H new ATOM 771 N GLY A 66 -4.524 -1.724 2.462 1.00 0.35 N ATOM 772 CA GLY A 66 -3.494 -1.305 1.537 1.00 0.41 C ATOM 773 C GLY A 66 -3.904 -0.052 0.789 1.00 0.43 C ATOM 774 O GLY A 66 -3.080 0.804 0.487 1.00 0.51 O ATOM 0 H GLY A 66 -5.025 -2.571 2.192 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -2.567 -1.120 2.080 1.00 0.41 H new ATOM 0 HA3 GLY A 66 -3.292 -2.106 0.826 1.00 0.41 H new ATOM 778 N ASN A 67 -5.190 0.052 0.510 1.00 0.44 N ATOM 779 CA ASN A 67 -5.739 1.197 -0.200 1.00 0.57 C ATOM 780 C ASN A 67 -5.591 2.480 0.603 1.00 0.41 C ATOM 781 O ASN A 67 -5.102 3.490 0.097 1.00 0.38 O ATOM 782 CB ASN A 67 -7.219 0.967 -0.507 1.00 0.84 C ATOM 783 CG ASN A 67 -7.460 -0.081 -1.574 1.00 1.28 C ATOM 784 OD1 ASN A 67 -8.457 -0.798 -1.535 1.00 2.28 O ATOM 785 ND2 ASN A 67 -6.563 -0.170 -2.541 1.00 1.35 N ATOM 0 H ASN A 67 -5.883 -0.651 0.767 1.00 0.44 H new ATOM 0 HA ASN A 67 -5.177 1.304 -1.128 1.00 0.57 H new ATOM 0 HB2 ASN A 67 -7.729 0.666 0.408 1.00 0.84 H new ATOM 0 HB3 ASN A 67 -7.666 1.908 -0.826 1.00 0.84 H new ATOM 0 HD21 ASN A 67 -6.686 -0.852 -3.290 1.00 1.35 H new ATOM 0 HD22 ASN A 67 -5.748 0.443 -2.539 1.00 1.35 H new ATOM 792 N ARG A 68 -6.003 2.442 1.863 1.00 0.39 N ATOM 793 CA ARG A 68 -6.065 3.655 2.662 1.00 0.39 C ATOM 794 C ARG A 68 -4.679 4.106 3.096 1.00 0.31 C ATOM 795 O ARG A 68 -4.412 5.306 3.168 1.00 0.32 O ATOM 796 CB ARG A 68 -6.970 3.469 3.875 1.00 0.53 C ATOM 797 CG ARG A 68 -7.425 4.790 4.473 1.00 0.80 C ATOM 798 CD ARG A 68 -8.421 4.594 5.602 1.00 0.48 C ATOM 799 NE ARG A 68 -7.771 4.406 6.901 1.00 0.94 N ATOM 800 CZ ARG A 68 -7.312 3.238 7.363 1.00 1.16 C ATOM 801 NH1 ARG A 68 -7.418 2.133 6.637 1.00 1.42 N ATOM 802 NH2 ARG A 68 -6.745 3.176 8.559 1.00 1.87 N ATOM 0 H ARG A 68 -6.296 1.594 2.348 1.00 0.39 H new ATOM 0 HA ARG A 68 -6.492 4.436 2.033 1.00 0.39 H new ATOM 0 HB2 ARG A 68 -7.844 2.885 3.586 1.00 0.53 H new ATOM 0 HB3 ARG A 68 -6.440 2.894 4.634 1.00 0.53 H new ATOM 0 HG2 ARG A 68 -6.558 5.336 4.846 1.00 0.80 H new ATOM 0 HG3 ARG A 68 -7.877 5.403 3.694 1.00 0.80 H new ATOM 0 HD2 ARG A 68 -9.082 5.459 5.653 1.00 0.48 H new ATOM 0 HD3 ARG A 68 -9.046 3.728 5.384 1.00 0.48 H new ATOM 0 HE ARG A 68 -7.660 5.226 7.497 1.00 0.94 H new ATOM 0 HH11 ARG A 68 -7.853 2.168 5.715 1.00 1.42 H new ATOM 0 HH12 ARG A 68 -7.064 1.248 7.000 1.00 1.42 H new ATOM 0 HH21 ARG A 68 -6.659 4.019 9.127 1.00 1.87 H new ATOM 0 HH22 ARG A 68 -6.395 2.285 8.912 1.00 1.87 H new ATOM 816 N SER A 69 -3.796 3.158 3.383 1.00 0.31 N ATOM 817 CA SER A 69 -2.411 3.491 3.685 1.00 0.32 C ATOM 818 C SER A 69 -1.768 4.195 2.496 1.00 0.27 C ATOM 819 O SER A 69 -0.989 5.129 2.663 1.00 0.27 O ATOM 820 CB SER A 69 -1.622 2.236 4.064 1.00 0.43 C ATOM 821 OG SER A 69 -1.840 1.191 3.135 1.00 1.16 O ATOM 0 H SER A 69 -4.012 2.162 3.413 1.00 0.31 H new ATOM 0 HA SER A 69 -2.395 4.168 4.539 1.00 0.32 H new ATOM 0 HB2 SER A 69 -0.559 2.472 4.107 1.00 0.43 H new ATOM 0 HB3 SER A 69 -1.916 1.906 5.061 1.00 0.43 H new ATOM 0 HG SER A 69 -2.642 0.689 3.390 1.00 1.16 H new ATOM 827 N LEU A 70 -2.117 3.748 1.293 1.00 0.28 N ATOM 828 CA LEU A 70 -1.665 4.389 0.068 1.00 0.31 C ATOM 829 C LEU A 70 -2.203 5.822 -0.017 1.00 0.31 C ATOM 830 O LEU A 70 -1.493 6.728 -0.444 1.00 0.38 O ATOM 831 CB LEU A 70 -2.104 3.548 -1.144 1.00 0.36 C ATOM 832 CG LEU A 70 -1.578 3.986 -2.521 1.00 0.46 C ATOM 833 CD1 LEU A 70 -2.415 5.119 -3.096 1.00 1.25 C ATOM 834 CD2 LEU A 70 -0.113 4.395 -2.435 1.00 1.16 C ATOM 0 H LEU A 70 -2.717 2.937 1.143 1.00 0.28 H new ATOM 0 HA LEU A 70 -0.577 4.449 0.069 1.00 0.31 H new ATOM 0 HB2 LEU A 70 -1.791 2.518 -0.973 1.00 0.36 H new ATOM 0 HB3 LEU A 70 -3.193 3.549 -1.181 1.00 0.36 H new ATOM 0 HG LEU A 70 -1.659 3.132 -3.194 1.00 0.46 H new ATOM 0 HD11 LEU A 70 -2.018 5.406 -4.070 1.00 1.25 H new ATOM 0 HD12 LEU A 70 -3.447 4.788 -3.208 1.00 1.25 H new ATOM 0 HD13 LEU A 70 -2.380 5.975 -2.423 1.00 1.25 H new ATOM 0 HD21 LEU A 70 0.238 4.701 -3.421 1.00 1.16 H new ATOM 0 HD22 LEU A 70 -0.008 5.226 -1.738 1.00 1.16 H new ATOM 0 HD23 LEU A 70 0.481 3.551 -2.085 1.00 1.16 H new ATOM 846 N ALA A 71 -3.447 6.024 0.403 1.00 0.26 N ATOM 847 CA ALA A 71 -4.040 7.355 0.420 1.00 0.30 C ATOM 848 C ALA A 71 -3.287 8.246 1.397 1.00 0.29 C ATOM 849 O ALA A 71 -2.910 9.372 1.066 1.00 0.36 O ATOM 850 CB ALA A 71 -5.511 7.276 0.789 1.00 0.32 C ATOM 0 H ALA A 71 -4.064 5.283 0.736 1.00 0.26 H new ATOM 0 HA ALA A 71 -3.964 7.789 -0.577 1.00 0.30 H new ATOM 0 HB1 ALA A 71 -5.938 8.279 0.797 1.00 0.32 H new ATOM 0 HB2 ALA A 71 -6.037 6.663 0.057 1.00 0.32 H new ATOM 0 HB3 ALA A 71 -5.615 6.829 1.778 1.00 0.32 H new ATOM 856 N TYR A 72 -3.066 7.720 2.599 1.00 0.25 N ATOM 857 CA TYR A 72 -2.208 8.371 3.585 1.00 0.25 C ATOM 858 C TYR A 72 -0.823 8.663 3.001 1.00 0.26 C ATOM 859 O TYR A 72 -0.187 9.664 3.337 1.00 0.30 O ATOM 860 CB TYR A 72 -2.053 7.483 4.821 1.00 0.25 C ATOM 861 CG TYR A 72 -3.317 7.308 5.633 1.00 0.29 C ATOM 862 CD1 TYR A 72 -4.208 8.359 5.811 1.00 0.34 C ATOM 863 CD2 TYR A 72 -3.612 6.091 6.234 1.00 0.41 C ATOM 864 CE1 TYR A 72 -5.356 8.200 6.561 1.00 0.41 C ATOM 865 CE2 TYR A 72 -4.756 5.926 6.987 1.00 0.47 C ATOM 866 CZ TYR A 72 -5.624 6.984 7.149 1.00 0.43 C ATOM 867 OH TYR A 72 -6.766 6.822 7.898 1.00 0.52 O ATOM 0 H TYR A 72 -3.472 6.839 2.915 1.00 0.25 H new ATOM 0 HA TYR A 72 -2.679 9.313 3.865 1.00 0.25 H new ATOM 0 HB2 TYR A 72 -1.701 6.501 4.505 1.00 0.25 H new ATOM 0 HB3 TYR A 72 -1.281 7.907 5.462 1.00 0.25 H new ATOM 0 HD1 TYR A 72 -3.999 9.316 5.355 1.00 0.34 H new ATOM 0 HD2 TYR A 72 -2.934 5.260 6.110 1.00 0.41 H new ATOM 0 HE1 TYR A 72 -6.041 9.026 6.686 1.00 0.41 H new ATOM 0 HE2 TYR A 72 -4.970 4.973 7.447 1.00 0.47 H new ATOM 0 HH TYR A 72 -7.469 7.412 7.555 1.00 0.52 H new ATOM 877 N LEU A 73 -0.366 7.773 2.130 1.00 0.26 N ATOM 878 CA LEU A 73 0.938 7.893 1.488 1.00 0.30 C ATOM 879 C LEU A 73 0.964 9.011 0.447 1.00 0.37 C ATOM 880 O LEU A 73 2.028 9.535 0.125 1.00 0.50 O ATOM 881 CB LEU A 73 1.318 6.553 0.848 1.00 0.31 C ATOM 882 CG LEU A 73 1.987 5.552 1.792 1.00 0.31 C ATOM 883 CD1 LEU A 73 2.141 4.199 1.115 1.00 0.33 C ATOM 884 CD2 LEU A 73 3.345 6.065 2.251 1.00 0.43 C ATOM 0 H LEU A 73 -0.890 6.945 1.847 1.00 0.26 H new ATOM 0 HA LEU A 73 1.669 8.154 2.253 1.00 0.30 H new ATOM 0 HB2 LEU A 73 0.418 6.096 0.437 1.00 0.31 H new ATOM 0 HB3 LEU A 73 1.989 6.745 0.011 1.00 0.31 H new ATOM 0 HG LEU A 73 1.348 5.435 2.667 1.00 0.31 H new ATOM 0 HD11 LEU A 73 2.619 3.501 1.802 1.00 0.33 H new ATOM 0 HD12 LEU A 73 1.159 3.818 0.835 1.00 0.33 H new ATOM 0 HD13 LEU A 73 2.756 4.307 0.222 1.00 0.33 H new ATOM 0 HD21 LEU A 73 3.802 5.337 2.921 1.00 0.43 H new ATOM 0 HD22 LEU A 73 3.989 6.215 1.385 1.00 0.43 H new ATOM 0 HD23 LEU A 73 3.218 7.012 2.776 1.00 0.43 H new ATOM 896 N ARG A 74 -0.199 9.381 -0.077 1.00 0.38 N ATOM 897 CA ARG A 74 -0.269 10.455 -1.065 1.00 0.48 C ATOM 898 C ARG A 74 -0.248 11.812 -0.378 1.00 0.53 C ATOM 899 O ARG A 74 0.359 12.765 -0.869 1.00 0.67 O ATOM 900 CB ARG A 74 -1.547 10.366 -1.905 1.00 0.51 C ATOM 901 CG ARG A 74 -1.881 8.979 -2.416 1.00 0.48 C ATOM 902 CD ARG A 74 -0.721 8.343 -3.176 1.00 1.19 C ATOM 903 NE ARG A 74 -0.392 9.046 -4.415 1.00 1.95 N ATOM 904 CZ ARG A 74 0.091 8.441 -5.502 1.00 2.78 C ATOM 905 NH1 ARG A 74 0.300 7.128 -5.499 1.00 3.07 N ATOM 906 NH2 ARG A 74 0.366 9.147 -6.588 1.00 3.53 N ATOM 0 H ARG A 74 -1.097 8.960 0.161 1.00 0.38 H new ATOM 0 HA ARG A 74 0.598 10.344 -1.716 1.00 0.48 H new ATOM 0 HB2 ARG A 74 -2.383 10.728 -1.307 1.00 0.51 H new ATOM 0 HB3 ARG A 74 -1.451 11.038 -2.758 1.00 0.51 H new ATOM 0 HG2 ARG A 74 -2.154 8.341 -1.575 1.00 0.48 H new ATOM 0 HG3 ARG A 74 -2.752 9.036 -3.069 1.00 0.48 H new ATOM 0 HD2 ARG A 74 0.159 8.322 -2.533 1.00 1.19 H new ATOM 0 HD3 ARG A 74 -0.971 7.308 -3.408 1.00 1.19 H new ATOM 0 HE ARG A 74 -0.540 10.055 -4.451 1.00 1.95 H new ATOM 0 HH11 ARG A 74 0.091 6.580 -4.664 1.00 3.07 H new ATOM 0 HH12 ARG A 74 0.669 6.668 -6.331 1.00 3.07 H new ATOM 0 HH21 ARG A 74 0.209 10.155 -6.595 1.00 3.53 H new ATOM 0 HH22 ARG A 74 0.735 8.683 -7.418 1.00 3.53 H new ATOM 920 N THR A 75 -0.930 11.888 0.755 1.00 0.48 N ATOM 921 CA THR A 75 -1.114 13.144 1.455 1.00 0.57 C ATOM 922 C THR A 75 0.154 13.546 2.215 1.00 0.70 C ATOM 923 O THR A 75 0.975 14.319 1.712 1.00 1.53 O ATOM 924 CB THR A 75 -2.327 13.044 2.415 1.00 0.54 C ATOM 925 OG1 THR A 75 -2.145 11.957 3.336 1.00 0.55 O ATOM 926 CG2 THR A 75 -3.613 12.814 1.632 1.00 0.49 C ATOM 0 H THR A 75 -1.367 11.086 1.210 1.00 0.48 H new ATOM 0 HA THR A 75 -1.314 13.922 0.719 1.00 0.57 H new ATOM 0 HB THR A 75 -2.399 13.983 2.963 1.00 0.54 H new ATOM 0 HG1 THR A 75 -2.268 12.281 4.253 1.00 0.55 H new ATOM 0 HG21 THR A 75 -4.453 12.747 2.323 1.00 0.49 H new ATOM 0 HG22 THR A 75 -3.774 13.645 0.945 1.00 0.49 H new ATOM 0 HG23 THR A 75 -3.533 11.886 1.066 1.00 0.49 H new ATOM 934 N GLU A 76 0.308 13.008 3.416 1.00 0.57 N ATOM 935 CA GLU A 76 1.494 13.235 4.242 1.00 0.59 C ATOM 936 C GLU A 76 1.430 12.378 5.502 1.00 0.42 C ATOM 937 O GLU A 76 2.174 12.593 6.459 1.00 0.45 O ATOM 938 CB GLU A 76 1.614 14.727 4.608 1.00 0.86 C ATOM 939 CG GLU A 76 0.376 15.325 5.278 1.00 1.85 C ATOM 940 CD GLU A 76 0.281 15.003 6.755 1.00 2.38 C ATOM 941 OE1 GLU A 76 1.046 15.587 7.554 1.00 2.71 O ATOM 942 OE2 GLU A 76 -0.565 14.165 7.128 1.00 2.77 O ATOM 0 H GLU A 76 -0.386 12.399 3.850 1.00 0.57 H new ATOM 0 HA GLU A 76 2.378 12.948 3.672 1.00 0.59 H new ATOM 0 HB2 GLU A 76 2.468 14.856 5.273 1.00 0.86 H new ATOM 0 HB3 GLU A 76 1.828 15.293 3.701 1.00 0.86 H new ATOM 0 HG2 GLU A 76 0.388 16.407 5.149 1.00 1.85 H new ATOM 0 HG3 GLU A 76 -0.516 14.954 4.774 1.00 1.85 H new ATOM 949 N CYS A 77 0.582 11.363 5.457 1.00 0.32 N ATOM 950 CA CYS A 77 0.170 10.630 6.640 1.00 0.32 C ATOM 951 C CYS A 77 0.912 9.314 6.753 1.00 0.32 C ATOM 952 O CYS A 77 0.355 8.316 7.200 1.00 0.35 O ATOM 953 CB CYS A 77 -1.332 10.386 6.590 1.00 0.33 C ATOM 954 SG CYS A 77 -2.314 11.894 6.418 1.00 0.37 S ATOM 0 H CYS A 77 0.159 11.024 4.593 1.00 0.32 H new ATOM 0 HA CYS A 77 0.412 11.226 7.520 1.00 0.32 H new ATOM 0 HB2 CYS A 77 -1.555 9.722 5.755 1.00 0.33 H new ATOM 0 HB3 CYS A 77 -1.636 9.868 7.499 1.00 0.33 H new ATOM 0 HG CYS A 77 -1.617 12.914 6.823 1.00 0.37 H new ATOM 960 N TYR A 78 2.163 9.327 6.333 1.00 0.34 N ATOM 961 CA TYR A 78 2.990 8.130 6.292 1.00 0.38 C ATOM 962 C TYR A 78 3.014 7.407 7.645 1.00 0.41 C ATOM 963 O TYR A 78 3.191 6.193 7.694 1.00 0.43 O ATOM 964 CB TYR A 78 4.411 8.488 5.871 1.00 0.44 C ATOM 965 CG TYR A 78 4.490 9.609 4.850 1.00 0.42 C ATOM 966 CD1 TYR A 78 3.743 9.567 3.680 1.00 0.55 C ATOM 967 CD2 TYR A 78 5.308 10.712 5.065 1.00 0.54 C ATOM 968 CE1 TYR A 78 3.811 10.589 2.751 1.00 0.66 C ATOM 969 CE2 TYR A 78 5.381 11.738 4.140 1.00 0.66 C ATOM 970 CZ TYR A 78 4.631 11.671 2.985 1.00 0.66 C ATOM 971 OH TYR A 78 4.701 12.691 2.061 1.00 0.84 O ATOM 0 H TYR A 78 2.638 10.169 6.009 1.00 0.34 H new ATOM 0 HA TYR A 78 2.551 7.453 5.559 1.00 0.38 H new ATOM 0 HB2 TYR A 78 4.979 8.776 6.756 1.00 0.44 H new ATOM 0 HB3 TYR A 78 4.891 7.601 5.459 1.00 0.44 H new ATOM 0 HD1 TYR A 78 3.098 8.721 3.492 1.00 0.55 H new ATOM 0 HD2 TYR A 78 5.896 10.769 5.969 1.00 0.54 H new ATOM 0 HE1 TYR A 78 3.224 10.539 1.846 1.00 0.66 H new ATOM 0 HE2 TYR A 78 6.023 12.588 4.322 1.00 0.66 H new ATOM 0 HH TYR A 78 5.324 13.378 2.379 1.00 0.84 H new ATOM 981 N GLY A 79 2.835 8.155 8.734 1.00 0.43 N ATOM 982 CA GLY A 79 2.725 7.540 10.047 1.00 0.49 C ATOM 983 C GLY A 79 1.520 6.622 10.131 1.00 0.42 C ATOM 984 O GLY A 79 1.628 5.471 10.557 1.00 0.42 O ATOM 0 H GLY A 79 2.765 9.173 8.730 1.00 0.43 H new ATOM 0 HA2 GLY A 79 3.631 6.974 10.262 1.00 0.49 H new ATOM 0 HA3 GLY A 79 2.646 8.316 10.808 1.00 0.49 H new ATOM 988 N TYR A 80 0.370 7.129 9.694 1.00 0.38 N ATOM 989 CA TYR A 80 -0.841 6.321 9.625 1.00 0.36 C ATOM 990 C TYR A 80 -0.651 5.217 8.598 1.00 0.30 C ATOM 991 O TYR A 80 -1.088 4.088 8.795 1.00 0.32 O ATOM 992 CB TYR A 80 -2.063 7.149 9.210 1.00 0.40 C ATOM 993 CG TYR A 80 -2.355 8.368 10.054 1.00 0.56 C ATOM 994 CD1 TYR A 80 -1.993 8.441 11.394 1.00 0.96 C ATOM 995 CD2 TYR A 80 -3.018 9.451 9.494 1.00 1.06 C ATOM 996 CE1 TYR A 80 -2.283 9.563 12.147 1.00 1.28 C ATOM 997 CE2 TYR A 80 -3.310 10.572 10.236 1.00 1.34 C ATOM 998 CZ TYR A 80 -2.941 10.627 11.562 1.00 1.29 C ATOM 999 OH TYR A 80 -3.230 11.747 12.304 1.00 1.70 O ATOM 0 H TYR A 80 0.253 8.093 9.383 1.00 0.38 H new ATOM 0 HA TYR A 80 -1.017 5.914 10.621 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -1.925 7.471 8.178 1.00 0.40 H new ATOM 0 HB3 TYR A 80 -2.939 6.501 9.228 1.00 0.40 H new ATOM 0 HD1 TYR A 80 -1.478 7.610 11.853 1.00 0.96 H new ATOM 0 HD2 TYR A 80 -3.311 9.413 8.455 1.00 1.06 H new ATOM 0 HE1 TYR A 80 -1.997 9.607 13.187 1.00 1.28 H new ATOM 0 HE2 TYR A 80 -3.826 11.405 9.781 1.00 1.34 H new ATOM 0 HH TYR A 80 -3.694 12.402 11.741 1.00 1.70 H new ATOM 1009 N ALA A 81 0.008 5.575 7.500 1.00 0.28 N ATOM 1010 CA ALA A 81 0.249 4.657 6.394 1.00 0.28 C ATOM 1011 C ALA A 81 1.039 3.437 6.843 1.00 0.29 C ATOM 1012 O ALA A 81 0.662 2.309 6.546 1.00 0.33 O ATOM 1013 CB ALA A 81 0.977 5.369 5.269 1.00 0.31 C ATOM 0 H ALA A 81 0.389 6.509 7.353 1.00 0.28 H new ATOM 0 HA ALA A 81 -0.719 4.312 6.031 1.00 0.28 H new ATOM 0 HB1 ALA A 81 1.151 4.672 4.449 1.00 0.31 H new ATOM 0 HB2 ALA A 81 0.371 6.203 4.914 1.00 0.31 H new ATOM 0 HB3 ALA A 81 1.933 5.745 5.634 1.00 0.31 H new ATOM 1019 N LEU A 82 2.129 3.671 7.565 1.00 0.30 N ATOM 1020 CA LEU A 82 2.968 2.586 8.058 1.00 0.34 C ATOM 1021 C LEU A 82 2.150 1.662 8.950 1.00 0.32 C ATOM 1022 O LEU A 82 2.181 0.440 8.789 1.00 0.37 O ATOM 1023 CB LEU A 82 4.181 3.162 8.812 1.00 0.42 C ATOM 1024 CG LEU A 82 5.285 2.162 9.204 1.00 0.49 C ATOM 1025 CD1 LEU A 82 4.904 1.377 10.442 1.00 0.49 C ATOM 1026 CD2 LEU A 82 5.584 1.211 8.057 1.00 0.52 C ATOM 0 H LEU A 82 2.452 4.604 7.822 1.00 0.30 H new ATOM 0 HA LEU A 82 3.339 2.002 7.216 1.00 0.34 H new ATOM 0 HB2 LEU A 82 4.629 3.940 8.194 1.00 0.42 H new ATOM 0 HB3 LEU A 82 3.820 3.645 9.720 1.00 0.42 H new ATOM 0 HG LEU A 82 6.183 2.738 9.427 1.00 0.49 H new ATOM 0 HD11 LEU A 82 5.704 0.680 10.692 1.00 0.49 H new ATOM 0 HD12 LEU A 82 4.748 2.063 11.274 1.00 0.49 H new ATOM 0 HD13 LEU A 82 3.986 0.822 10.252 1.00 0.49 H new ATOM 0 HD21 LEU A 82 6.367 0.514 8.357 1.00 0.52 H new ATOM 0 HD22 LEU A 82 4.682 0.655 7.801 1.00 0.52 H new ATOM 0 HD23 LEU A 82 5.918 1.781 7.190 1.00 0.52 H new ATOM 1038 N ASN A 83 1.400 2.253 9.868 1.00 0.32 N ATOM 1039 CA ASN A 83 0.565 1.490 10.790 1.00 0.39 C ATOM 1040 C ASN A 83 -0.511 0.708 10.032 1.00 0.38 C ATOM 1041 O ASN A 83 -0.792 -0.451 10.342 1.00 0.42 O ATOM 1042 CB ASN A 83 -0.081 2.438 11.806 1.00 0.47 C ATOM 1043 CG ASN A 83 -0.961 1.725 12.818 1.00 1.25 C ATOM 1044 OD1 ASN A 83 -0.724 0.571 13.167 1.00 1.86 O ATOM 1045 ND2 ASN A 83 -1.975 2.418 13.310 1.00 2.09 N ATOM 0 H ASN A 83 1.351 3.264 9.996 1.00 0.32 H new ATOM 0 HA ASN A 83 1.193 0.772 11.318 1.00 0.39 H new ATOM 0 HB2 ASN A 83 0.702 2.981 12.335 1.00 0.47 H new ATOM 0 HB3 ASN A 83 -0.678 3.178 11.273 1.00 0.47 H new ATOM 0 HD21 ASN A 83 -2.592 1.996 14.004 1.00 2.09 H new ATOM 0 HD22 ASN A 83 -2.140 3.374 12.995 1.00 2.09 H new ATOM 1052 N ASP A 84 -1.079 1.341 9.019 1.00 0.39 N ATOM 1053 CA ASP A 84 -2.171 0.752 8.251 1.00 0.45 C ATOM 1054 C ASP A 84 -1.656 -0.348 7.324 1.00 0.42 C ATOM 1055 O ASP A 84 -2.275 -1.403 7.185 1.00 0.44 O ATOM 1056 CB ASP A 84 -2.876 1.847 7.450 1.00 0.55 C ATOM 1057 CG ASP A 84 -4.274 1.457 7.021 1.00 0.74 C ATOM 1058 OD1 ASP A 84 -5.054 0.991 7.885 1.00 1.10 O ATOM 1059 OD2 ASP A 84 -4.616 1.665 5.844 1.00 1.19 O ATOM 0 H ASP A 84 -0.801 2.271 8.705 1.00 0.39 H new ATOM 0 HA ASP A 84 -2.882 0.296 8.940 1.00 0.45 H new ATOM 0 HB2 ASP A 84 -2.926 2.755 8.051 1.00 0.55 H new ATOM 0 HB3 ASP A 84 -2.283 2.082 6.566 1.00 0.55 H new ATOM 1064 N ALA A 85 -0.501 -0.110 6.715 1.00 0.41 N ATOM 1065 CA ALA A 85 0.116 -1.088 5.828 1.00 0.43 C ATOM 1066 C ALA A 85 0.594 -2.307 6.612 1.00 0.42 C ATOM 1067 O ALA A 85 0.452 -3.442 6.156 1.00 0.42 O ATOM 1068 CB ALA A 85 1.270 -0.459 5.061 1.00 0.48 C ATOM 0 H ALA A 85 0.029 0.755 6.820 1.00 0.41 H new ATOM 0 HA ALA A 85 -0.635 -1.419 5.111 1.00 0.43 H new ATOM 0 HB1 ALA A 85 1.719 -1.204 4.404 1.00 0.48 H new ATOM 0 HB2 ALA A 85 0.899 0.375 4.465 1.00 0.48 H new ATOM 0 HB3 ALA A 85 2.020 -0.097 5.764 1.00 0.48 H new ATOM 1074 N THR A 86 1.151 -2.070 7.796 1.00 0.42 N ATOM 1075 CA THR A 86 1.561 -3.159 8.673 1.00 0.44 C ATOM 1076 C THR A 86 0.338 -3.957 9.117 1.00 0.43 C ATOM 1077 O THR A 86 0.405 -5.172 9.315 1.00 0.44 O ATOM 1078 CB THR A 86 2.318 -2.634 9.911 1.00 0.47 C ATOM 1079 OG1 THR A 86 3.402 -1.793 9.498 1.00 0.47 O ATOM 1080 CG2 THR A 86 2.865 -3.783 10.745 1.00 0.55 C ATOM 0 H THR A 86 1.328 -1.137 8.168 1.00 0.42 H new ATOM 0 HA THR A 86 2.237 -3.804 8.112 1.00 0.44 H new ATOM 0 HB THR A 86 1.616 -2.064 10.519 1.00 0.47 H new ATOM 0 HG1 THR A 86 3.065 -0.891 9.315 1.00 0.47 H new ATOM 0 HG21 THR A 86 3.394 -3.385 11.611 1.00 0.55 H new ATOM 0 HG22 THR A 86 2.041 -4.413 11.081 1.00 0.55 H new ATOM 0 HG23 THR A 86 3.552 -4.376 10.141 1.00 0.55 H new ATOM 1088 N ARG A 87 -0.788 -3.265 9.239 1.00 0.43 N ATOM 1089 CA ARG A 87 -2.044 -3.902 9.594 1.00 0.43 C ATOM 1090 C ARG A 87 -2.461 -4.879 8.495 1.00 0.39 C ATOM 1091 O ARG A 87 -3.037 -5.927 8.777 1.00 0.38 O ATOM 1092 CB ARG A 87 -3.126 -2.842 9.815 1.00 0.47 C ATOM 1093 CG ARG A 87 -4.427 -3.374 10.392 1.00 0.58 C ATOM 1094 CD ARG A 87 -4.224 -3.997 11.762 1.00 0.71 C ATOM 1095 NE ARG A 87 -5.481 -4.096 12.500 1.00 1.63 N ATOM 1096 CZ ARG A 87 -6.183 -5.219 12.644 1.00 2.24 C ATOM 1097 NH1 ARG A 87 -5.768 -6.349 12.083 1.00 2.10 N ATOM 1098 NH2 ARG A 87 -7.300 -5.207 13.356 1.00 3.28 N ATOM 0 H ARG A 87 -0.854 -2.257 9.096 1.00 0.43 H new ATOM 0 HA ARG A 87 -1.914 -4.459 10.522 1.00 0.43 H new ATOM 0 HB2 ARG A 87 -2.734 -2.076 10.484 1.00 0.47 H new ATOM 0 HB3 ARG A 87 -3.339 -2.355 8.863 1.00 0.47 H new ATOM 0 HG2 ARG A 87 -5.151 -2.562 10.466 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -4.848 -4.116 9.714 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -3.788 -4.990 11.650 1.00 0.71 H new ATOM 0 HD3 ARG A 87 -3.513 -3.399 12.332 1.00 0.71 H new ATOM 0 HE ARG A 87 -5.846 -3.248 12.934 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -4.906 -6.361 11.537 1.00 2.10 H new ATOM 0 HH12 ARG A 87 -6.311 -7.205 12.198 1.00 2.10 H new ATOM 0 HH21 ARG A 87 -7.619 -4.341 13.791 1.00 3.28 H new ATOM 0 HH22 ARG A 87 -7.842 -6.064 13.470 1.00 3.28 H new ATOM 1112 N ALA A 88 -2.149 -4.539 7.244 1.00 0.39 N ATOM 1113 CA ALA A 88 -2.430 -5.433 6.127 1.00 0.38 C ATOM 1114 C ALA A 88 -1.545 -6.670 6.185 1.00 0.39 C ATOM 1115 O ALA A 88 -2.000 -7.763 5.876 1.00 0.41 O ATOM 1116 CB ALA A 88 -2.256 -4.733 4.789 1.00 0.42 C ATOM 0 H ALA A 88 -1.706 -3.658 6.983 1.00 0.39 H new ATOM 0 HA ALA A 88 -3.472 -5.739 6.216 1.00 0.38 H new ATOM 0 HB1 ALA A 88 -2.474 -5.432 3.982 1.00 0.42 H new ATOM 0 HB2 ALA A 88 -2.939 -3.886 4.730 1.00 0.42 H new ATOM 0 HB3 ALA A 88 -1.230 -4.379 4.695 1.00 0.42 H new ATOM 1122 N ILE A 89 -0.280 -6.497 6.571 1.00 0.42 N ATOM 1123 CA ILE A 89 0.619 -7.634 6.772 1.00 0.47 C ATOM 1124 C ILE A 89 0.051 -8.588 7.829 1.00 0.47 C ATOM 1125 O ILE A 89 0.268 -9.799 7.780 1.00 0.59 O ATOM 1126 CB ILE A 89 2.033 -7.177 7.206 1.00 0.60 C ATOM 1127 CG1 ILE A 89 2.579 -6.106 6.253 1.00 0.73 C ATOM 1128 CG2 ILE A 89 2.982 -8.367 7.262 1.00 0.66 C ATOM 1129 CD1 ILE A 89 2.594 -6.527 4.796 1.00 1.15 C ATOM 0 H ILE A 89 0.143 -5.586 6.750 1.00 0.42 H new ATOM 0 HA ILE A 89 0.701 -8.151 5.816 1.00 0.47 H new ATOM 0 HB ILE A 89 1.957 -6.741 8.202 1.00 0.60 H new ATOM 0 HG12 ILE A 89 1.976 -5.203 6.354 1.00 0.73 H new ATOM 0 HG13 ILE A 89 3.593 -5.847 6.556 1.00 0.73 H new ATOM 0 HG21 ILE A 89 3.972 -8.029 7.569 1.00 0.66 H new ATOM 0 HG22 ILE A 89 2.609 -9.096 7.981 1.00 0.66 H new ATOM 0 HG23 ILE A 89 3.045 -8.828 6.277 1.00 0.66 H new ATOM 0 HD11 ILE A 89 2.993 -5.716 4.187 1.00 1.15 H new ATOM 0 HD12 ILE A 89 3.221 -7.411 4.679 1.00 1.15 H new ATOM 0 HD13 ILE A 89 1.579 -6.757 4.473 1.00 1.15 H new ATOM 1141 N GLU A 90 -0.691 -8.035 8.779 1.00 0.42 N ATOM 1142 CA GLU A 90 -1.341 -8.839 9.809 1.00 0.43 C ATOM 1143 C GLU A 90 -2.558 -9.564 9.238 1.00 0.40 C ATOM 1144 O GLU A 90 -2.911 -10.654 9.684 1.00 0.47 O ATOM 1145 CB GLU A 90 -1.777 -7.954 10.982 1.00 0.44 C ATOM 1146 CG GLU A 90 -0.627 -7.309 11.737 1.00 0.50 C ATOM 1147 CD GLU A 90 0.173 -8.307 12.550 1.00 0.58 C ATOM 1148 OE1 GLU A 90 -0.437 -9.088 13.307 1.00 0.82 O ATOM 1149 OE2 GLU A 90 1.414 -8.316 12.435 1.00 0.73 O ATOM 0 H GLU A 90 -0.859 -7.032 8.859 1.00 0.42 H new ATOM 0 HA GLU A 90 -0.622 -9.578 10.164 1.00 0.43 H new ATOM 0 HB2 GLU A 90 -2.435 -7.170 10.606 1.00 0.44 H new ATOM 0 HB3 GLU A 90 -2.362 -8.555 11.678 1.00 0.44 H new ATOM 0 HG2 GLU A 90 0.034 -6.812 11.027 1.00 0.50 H new ATOM 0 HG3 GLU A 90 -1.020 -6.539 12.400 1.00 0.50 H new ATOM 1156 N LEU A 91 -3.201 -8.943 8.259 1.00 0.38 N ATOM 1157 CA LEU A 91 -4.393 -9.510 7.634 1.00 0.39 C ATOM 1158 C LEU A 91 -4.004 -10.560 6.599 1.00 0.43 C ATOM 1159 O LEU A 91 -4.546 -11.664 6.577 1.00 0.51 O ATOM 1160 CB LEU A 91 -5.211 -8.404 6.968 1.00 0.36 C ATOM 1161 CG LEU A 91 -5.605 -7.239 7.879 1.00 0.37 C ATOM 1162 CD1 LEU A 91 -6.284 -6.149 7.075 1.00 0.39 C ATOM 1163 CD2 LEU A 91 -6.517 -7.710 8.997 1.00 0.45 C ATOM 0 H LEU A 91 -2.917 -8.041 7.877 1.00 0.38 H new ATOM 0 HA LEU A 91 -4.996 -9.986 8.407 1.00 0.39 H new ATOM 0 HB2 LEU A 91 -4.640 -8.009 6.128 1.00 0.36 H new ATOM 0 HB3 LEU A 91 -6.119 -8.845 6.557 1.00 0.36 H new ATOM 0 HG LEU A 91 -4.697 -6.835 8.326 1.00 0.37 H new ATOM 0 HD11 LEU A 91 -6.559 -5.327 7.736 1.00 0.39 H new ATOM 0 HD12 LEU A 91 -5.602 -5.785 6.307 1.00 0.39 H new ATOM 0 HD13 LEU A 91 -7.181 -6.550 6.603 1.00 0.39 H new ATOM 0 HD21 LEU A 91 -6.783 -6.864 9.631 1.00 0.45 H new ATOM 0 HD22 LEU A 91 -7.422 -8.142 8.570 1.00 0.45 H new ATOM 0 HD23 LEU A 91 -6.002 -8.463 9.594 1.00 0.45 H new ATOM 1175 N ASP A 92 -3.055 -10.200 5.751 1.00 0.46 N ATOM 1176 CA ASP A 92 -2.530 -11.096 4.743 1.00 0.53 C ATOM 1177 C ASP A 92 -1.027 -11.126 4.889 1.00 0.56 C ATOM 1178 O ASP A 92 -0.322 -10.253 4.378 1.00 0.82 O ATOM 1179 CB ASP A 92 -2.924 -10.655 3.330 1.00 0.66 C ATOM 1180 CG ASP A 92 -2.939 -11.808 2.339 1.00 1.77 C ATOM 1181 OD1 ASP A 92 -2.441 -12.903 2.678 1.00 2.32 O ATOM 1182 OD2 ASP A 92 -3.476 -11.632 1.225 1.00 2.34 O ATOM 0 H ASP A 92 -2.628 -9.274 5.745 1.00 0.46 H new ATOM 0 HA ASP A 92 -2.951 -12.091 4.888 1.00 0.53 H new ATOM 0 HB2 ASP A 92 -3.911 -10.194 3.360 1.00 0.66 H new ATOM 0 HB3 ASP A 92 -2.226 -9.893 2.984 1.00 0.66 H new ATOM 1187 N LYS A 93 -0.553 -12.114 5.630 1.00 0.48 N ATOM 1188 CA LYS A 93 0.844 -12.189 6.016 1.00 0.50 C ATOM 1189 C LYS A 93 1.750 -12.185 4.798 1.00 0.55 C ATOM 1190 O LYS A 93 2.868 -11.675 4.860 1.00 0.64 O ATOM 1191 CB LYS A 93 1.073 -13.422 6.883 1.00 0.55 C ATOM 1192 CG LYS A 93 2.489 -13.557 7.422 1.00 0.73 C ATOM 1193 CD LYS A 93 2.954 -12.288 8.120 1.00 1.22 C ATOM 1194 CE LYS A 93 4.281 -12.493 8.832 1.00 1.76 C ATOM 1195 NZ LYS A 93 5.363 -12.932 7.911 1.00 2.61 N ATOM 0 H LYS A 93 -1.124 -12.883 5.979 1.00 0.48 H new ATOM 0 HA LYS A 93 1.097 -11.305 6.601 1.00 0.50 H new ATOM 0 HB2 LYS A 93 0.379 -13.395 7.723 1.00 0.55 H new ATOM 0 HB3 LYS A 93 0.833 -14.311 6.300 1.00 0.55 H new ATOM 0 HG2 LYS A 93 2.533 -14.393 8.121 1.00 0.73 H new ATOM 0 HG3 LYS A 93 3.169 -13.790 6.602 1.00 0.73 H new ATOM 0 HD2 LYS A 93 3.053 -11.486 7.389 1.00 1.22 H new ATOM 0 HD3 LYS A 93 2.200 -11.971 8.840 1.00 1.22 H new ATOM 0 HE2 LYS A 93 4.577 -11.562 9.316 1.00 1.76 H new ATOM 0 HE3 LYS A 93 4.156 -13.236 9.619 1.00 1.76 H new ATOM 0 HZ1 LYS A 93 6.260 -12.992 8.433 1.00 2.61 H new ATOM 0 HZ2 LYS A 93 5.128 -13.866 7.519 1.00 2.61 H new ATOM 0 HZ3 LYS A 93 5.459 -12.246 7.136 1.00 2.61 H new ATOM 1209 N LYS A 94 1.282 -12.739 3.690 1.00 0.55 N ATOM 1210 CA LYS A 94 1.973 -12.529 2.440 1.00 0.61 C ATOM 1211 C LYS A 94 1.089 -11.750 1.483 1.00 0.60 C ATOM 1212 O LYS A 94 0.189 -12.292 0.844 1.00 0.69 O ATOM 1213 CB LYS A 94 2.407 -13.852 1.808 1.00 0.76 C ATOM 1214 CG LYS A 94 3.220 -14.729 2.745 1.00 0.96 C ATOM 1215 CD LYS A 94 4.099 -15.709 1.983 1.00 1.17 C ATOM 1216 CE LYS A 94 5.285 -15.006 1.342 1.00 1.41 C ATOM 1217 NZ LYS A 94 6.083 -14.246 2.344 1.00 2.11 N ATOM 0 H LYS A 94 0.447 -13.322 3.635 1.00 0.55 H new ATOM 0 HA LYS A 94 2.874 -11.952 2.646 1.00 0.61 H new ATOM 0 HB2 LYS A 94 1.522 -14.400 1.486 1.00 0.76 H new ATOM 0 HB3 LYS A 94 2.996 -13.644 0.915 1.00 0.76 H new ATOM 0 HG2 LYS A 94 3.843 -14.101 3.381 1.00 0.96 H new ATOM 0 HG3 LYS A 94 2.547 -15.280 3.402 1.00 0.96 H new ATOM 0 HD2 LYS A 94 4.456 -16.484 2.662 1.00 1.17 H new ATOM 0 HD3 LYS A 94 3.509 -16.207 1.213 1.00 1.17 H new ATOM 0 HE2 LYS A 94 5.922 -15.742 0.852 1.00 1.41 H new ATOM 0 HE3 LYS A 94 4.930 -14.326 0.568 1.00 1.41 H new ATOM 0 HZ1 LYS A 94 7.012 -14.010 1.941 1.00 2.11 H new ATOM 0 HZ2 LYS A 94 5.582 -13.370 2.595 1.00 2.11 H new ATOM 0 HZ3 LYS A 94 6.213 -14.827 3.197 1.00 2.11 H new ATOM 1231 N TYR A 95 1.380 -10.468 1.399 1.00 0.53 N ATOM 1232 CA TYR A 95 0.776 -9.576 0.433 1.00 0.58 C ATOM 1233 C TYR A 95 1.887 -8.707 -0.139 1.00 0.55 C ATOM 1234 O TYR A 95 2.426 -7.848 0.558 1.00 0.55 O ATOM 1235 CB TYR A 95 -0.309 -8.728 1.111 1.00 0.63 C ATOM 1236 CG TYR A 95 -1.100 -7.836 0.173 1.00 0.81 C ATOM 1237 CD1 TYR A 95 -1.642 -8.334 -1.005 1.00 0.99 C ATOM 1238 CD2 TYR A 95 -1.308 -6.495 0.474 1.00 0.91 C ATOM 1239 CE1 TYR A 95 -2.366 -7.521 -1.857 1.00 1.19 C ATOM 1240 CE2 TYR A 95 -2.033 -5.676 -0.370 1.00 1.12 C ATOM 1241 CZ TYR A 95 -2.560 -6.195 -1.535 1.00 1.23 C ATOM 1242 OH TYR A 95 -3.289 -5.393 -2.380 1.00 1.46 O ATOM 0 H TYR A 95 2.055 -10.010 2.011 1.00 0.53 H new ATOM 0 HA TYR A 95 0.293 -10.132 -0.371 1.00 0.58 H new ATOM 0 HB2 TYR A 95 -1.001 -9.394 1.626 1.00 0.63 H new ATOM 0 HB3 TYR A 95 0.160 -8.105 1.872 1.00 0.63 H new ATOM 0 HD1 TYR A 95 -1.495 -9.373 -1.259 1.00 0.99 H new ATOM 0 HD2 TYR A 95 -0.895 -6.086 1.384 1.00 0.91 H new ATOM 0 HE1 TYR A 95 -2.778 -7.923 -2.771 1.00 1.19 H new ATOM 0 HE2 TYR A 95 -2.186 -4.637 -0.120 1.00 1.12 H new ATOM 0 HH TYR A 95 -3.336 -4.486 -2.011 1.00 1.46 H new ATOM 1252 N ILE A 96 2.258 -8.954 -1.386 1.00 0.56 N ATOM 1253 CA ILE A 96 3.437 -8.321 -1.963 1.00 0.55 C ATOM 1254 C ILE A 96 3.240 -6.819 -2.107 1.00 0.49 C ATOM 1255 O ILE A 96 4.150 -6.036 -1.834 1.00 0.45 O ATOM 1256 CB ILE A 96 3.811 -8.941 -3.325 1.00 0.64 C ATOM 1257 CG1 ILE A 96 4.047 -10.448 -3.172 1.00 0.87 C ATOM 1258 CG2 ILE A 96 5.043 -8.264 -3.899 1.00 0.59 C ATOM 1259 CD1 ILE A 96 5.065 -10.797 -2.105 1.00 0.83 C ATOM 0 H ILE A 96 1.763 -9.585 -2.016 1.00 0.56 H new ATOM 0 HA ILE A 96 4.262 -8.500 -1.273 1.00 0.55 H new ATOM 0 HB ILE A 96 2.983 -8.786 -4.017 1.00 0.64 H new ATOM 0 HG12 ILE A 96 3.101 -10.933 -2.932 1.00 0.87 H new ATOM 0 HG13 ILE A 96 4.380 -10.854 -4.127 1.00 0.87 H new ATOM 0 HG21 ILE A 96 5.292 -8.715 -4.860 1.00 0.59 H new ATOM 0 HG22 ILE A 96 4.843 -7.201 -4.038 1.00 0.59 H new ATOM 0 HG23 ILE A 96 5.880 -8.389 -3.212 1.00 0.59 H new ATOM 0 HD11 ILE A 96 5.181 -11.880 -2.053 1.00 0.83 H new ATOM 0 HD12 ILE A 96 6.023 -10.341 -2.354 1.00 0.83 H new ATOM 0 HD13 ILE A 96 4.724 -10.422 -1.140 1.00 0.83 H new ATOM 1271 N LYS A 97 2.041 -6.420 -2.502 1.00 0.54 N ATOM 1272 CA LYS A 97 1.708 -5.004 -2.592 1.00 0.55 C ATOM 1273 C LYS A 97 1.663 -4.394 -1.192 1.00 0.50 C ATOM 1274 O LYS A 97 1.761 -3.180 -1.025 1.00 0.51 O ATOM 1275 CB LYS A 97 0.361 -4.811 -3.292 1.00 0.71 C ATOM 1276 CG LYS A 97 0.255 -5.520 -4.637 1.00 1.28 C ATOM 1277 CD LYS A 97 1.244 -4.976 -5.654 1.00 1.65 C ATOM 1278 CE LYS A 97 0.847 -3.596 -6.152 1.00 1.73 C ATOM 1279 NZ LYS A 97 -0.492 -3.599 -6.796 1.00 1.59 N ATOM 0 H LYS A 97 1.285 -7.052 -2.765 1.00 0.54 H new ATOM 0 HA LYS A 97 2.476 -4.501 -3.179 1.00 0.55 H new ATOM 0 HB2 LYS A 97 -0.432 -5.174 -2.638 1.00 0.71 H new ATOM 0 HB3 LYS A 97 0.189 -3.745 -3.440 1.00 0.71 H new ATOM 0 HG2 LYS A 97 0.430 -6.587 -4.498 1.00 1.28 H new ATOM 0 HG3 LYS A 97 -0.758 -5.411 -5.024 1.00 1.28 H new ATOM 0 HD2 LYS A 97 2.236 -4.928 -5.205 1.00 1.65 H new ATOM 0 HD3 LYS A 97 1.309 -5.662 -6.499 1.00 1.65 H new ATOM 0 HE2 LYS A 97 0.846 -2.896 -5.317 1.00 1.73 H new ATOM 0 HE3 LYS A 97 1.591 -3.240 -6.865 1.00 1.73 H new ATOM 0 HZ1 LYS A 97 -0.585 -2.762 -7.407 1.00 1.59 H new ATOM 0 HZ2 LYS A 97 -0.599 -4.460 -7.369 1.00 1.59 H new ATOM 0 HZ3 LYS A 97 -1.230 -3.577 -6.063 1.00 1.59 H new ATOM 1293 N GLY A 98 1.542 -5.260 -0.192 1.00 0.51 N ATOM 1294 CA GLY A 98 1.454 -4.818 1.184 1.00 0.52 C ATOM 1295 C GLY A 98 2.813 -4.530 1.772 1.00 0.43 C ATOM 1296 O GLY A 98 3.025 -3.462 2.342 1.00 0.48 O ATOM 0 H GLY A 98 1.503 -6.272 -0.314 1.00 0.51 H new ATOM 0 HA2 GLY A 98 0.838 -3.920 1.238 1.00 0.52 H new ATOM 0 HA3 GLY A 98 0.956 -5.583 1.780 1.00 0.52 H new ATOM 1300 N TYR A 99 3.743 -5.479 1.629 1.00 0.35 N ATOM 1301 CA TYR A 99 5.114 -5.267 2.093 1.00 0.29 C ATOM 1302 C TYR A 99 5.676 -4.013 1.429 1.00 0.31 C ATOM 1303 O TYR A 99 6.308 -3.172 2.061 1.00 0.32 O ATOM 1304 CB TYR A 99 6.051 -6.417 1.701 1.00 0.30 C ATOM 1305 CG TYR A 99 5.669 -7.821 2.117 1.00 0.38 C ATOM 1306 CD1 TYR A 99 5.374 -8.155 3.435 1.00 0.64 C ATOM 1307 CD2 TYR A 99 5.663 -8.836 1.169 1.00 0.98 C ATOM 1308 CE1 TYR A 99 5.078 -9.459 3.785 1.00 0.71 C ATOM 1309 CE2 TYR A 99 5.379 -10.140 1.515 1.00 1.11 C ATOM 1310 CZ TYR A 99 5.087 -10.447 2.822 1.00 0.72 C ATOM 1311 OH TYR A 99 4.820 -11.752 3.169 1.00 0.92 O ATOM 0 H TYR A 99 3.574 -6.389 1.201 1.00 0.35 H new ATOM 0 HA TYR A 99 5.069 -5.189 3.179 1.00 0.29 H new ATOM 0 HB2 TYR A 99 6.155 -6.407 0.616 1.00 0.30 H new ATOM 0 HB3 TYR A 99 7.035 -6.202 2.117 1.00 0.30 H new ATOM 0 HD1 TYR A 99 5.376 -7.386 4.194 1.00 0.64 H new ATOM 0 HD2 TYR A 99 5.885 -8.599 0.139 1.00 0.98 H new ATOM 0 HE1 TYR A 99 4.840 -9.704 4.810 1.00 0.71 H new ATOM 0 HE2 TYR A 99 5.386 -10.915 0.763 1.00 1.11 H new ATOM 0 HH TYR A 99 4.418 -11.777 4.062 1.00 0.92 H new ATOM 1321 N TYR A 100 5.403 -3.917 0.133 1.00 0.34 N ATOM 1322 CA TYR A 100 5.932 -2.868 -0.729 1.00 0.37 C ATOM 1323 C TYR A 100 5.417 -1.512 -0.275 1.00 0.39 C ATOM 1324 O TYR A 100 6.147 -0.522 -0.240 1.00 0.42 O ATOM 1325 CB TYR A 100 5.482 -3.166 -2.162 1.00 0.42 C ATOM 1326 CG TYR A 100 6.006 -2.237 -3.233 1.00 0.43 C ATOM 1327 CD1 TYR A 100 5.305 -1.090 -3.585 1.00 0.51 C ATOM 1328 CD2 TYR A 100 7.171 -2.535 -3.926 1.00 0.46 C ATOM 1329 CE1 TYR A 100 5.756 -0.260 -4.593 1.00 0.60 C ATOM 1330 CE2 TYR A 100 7.622 -1.716 -4.944 1.00 0.55 C ATOM 1331 CZ TYR A 100 6.910 -0.579 -5.273 1.00 0.60 C ATOM 1332 OH TYR A 100 7.343 0.232 -6.298 1.00 0.73 O ATOM 0 H TYR A 100 4.798 -4.577 -0.356 1.00 0.34 H new ATOM 0 HA TYR A 100 7.021 -2.844 -0.679 1.00 0.37 H new ATOM 0 HB2 TYR A 100 5.785 -4.183 -2.412 1.00 0.42 H new ATOM 0 HB3 TYR A 100 4.393 -3.142 -2.191 1.00 0.42 H new ATOM 0 HD1 TYR A 100 4.393 -0.843 -3.062 1.00 0.51 H new ATOM 0 HD2 TYR A 100 7.733 -3.420 -3.666 1.00 0.46 H new ATOM 0 HE1 TYR A 100 5.206 0.634 -4.846 1.00 0.60 H new ATOM 0 HE2 TYR A 100 8.527 -1.964 -5.480 1.00 0.55 H new ATOM 0 HH TYR A 100 7.005 -0.111 -7.152 1.00 0.73 H new ATOM 1342 N ARG A 101 4.150 -1.494 0.090 1.00 0.41 N ATOM 1343 CA ARG A 101 3.495 -0.286 0.537 1.00 0.46 C ATOM 1344 C ARG A 101 3.936 0.079 1.954 1.00 0.43 C ATOM 1345 O ARG A 101 4.103 1.256 2.280 1.00 0.46 O ATOM 1346 CB ARG A 101 1.987 -0.484 0.460 1.00 0.53 C ATOM 1347 CG ARG A 101 1.192 0.736 0.849 1.00 0.82 C ATOM 1348 CD ARG A 101 -0.192 0.703 0.238 1.00 1.06 C ATOM 1349 NE ARG A 101 -0.146 0.688 -1.227 1.00 1.18 N ATOM 1350 CZ ARG A 101 -0.696 -0.267 -1.976 1.00 1.58 C ATOM 1351 NH1 ARG A 101 -1.298 -1.297 -1.396 1.00 2.34 N ATOM 1352 NH2 ARG A 101 -0.641 -0.193 -3.303 1.00 1.89 N ATOM 0 H ARG A 101 3.548 -2.317 0.084 1.00 0.41 H new ATOM 0 HA ARG A 101 3.778 0.544 -0.110 1.00 0.46 H new ATOM 0 HB2 ARG A 101 1.719 -0.771 -0.557 1.00 0.53 H new ATOM 0 HB3 ARG A 101 1.705 -1.312 1.110 1.00 0.53 H new ATOM 0 HG2 ARG A 101 1.112 0.791 1.935 1.00 0.82 H new ATOM 0 HG3 ARG A 101 1.716 1.634 0.522 1.00 0.82 H new ATOM 0 HD2 ARG A 101 -0.724 -0.180 0.593 1.00 1.06 H new ATOM 0 HD3 ARG A 101 -0.757 1.572 0.574 1.00 1.06 H new ATOM 0 HE ARG A 101 0.335 1.453 -1.700 1.00 1.18 H new ATOM 0 HH11 ARG A 101 -1.339 -1.357 -0.379 1.00 2.34 H new ATOM 0 HH12 ARG A 101 -1.720 -2.029 -1.967 1.00 2.34 H new ATOM 0 HH21 ARG A 101 -0.176 0.597 -3.751 1.00 1.89 H new ATOM 0 HH22 ARG A 101 -1.063 -0.926 -3.873 1.00 1.89 H new ATOM 1366 N ARG A 102 4.144 -0.938 2.781 1.00 0.41 N ATOM 1367 CA ARG A 102 4.655 -0.739 4.128 1.00 0.43 C ATOM 1368 C ARG A 102 6.066 -0.168 4.054 1.00 0.37 C ATOM 1369 O ARG A 102 6.419 0.764 4.781 1.00 0.38 O ATOM 1370 CB ARG A 102 4.663 -2.061 4.897 1.00 0.52 C ATOM 1371 CG ARG A 102 5.091 -1.916 6.344 1.00 0.87 C ATOM 1372 CD ARG A 102 5.224 -3.269 7.018 1.00 1.12 C ATOM 1373 NE ARG A 102 5.588 -3.147 8.426 1.00 1.87 N ATOM 1374 CZ ARG A 102 6.668 -3.714 8.961 1.00 2.58 C ATOM 1375 NH1 ARG A 102 7.535 -4.352 8.187 1.00 2.78 N ATOM 1376 NH2 ARG A 102 6.896 -3.614 10.265 1.00 3.57 N ATOM 0 H ARG A 102 3.965 -1.913 2.539 1.00 0.41 H new ATOM 0 HA ARG A 102 4.007 -0.039 4.655 1.00 0.43 H new ATOM 0 HB2 ARG A 102 3.665 -2.498 4.864 1.00 0.52 H new ATOM 0 HB3 ARG A 102 5.333 -2.759 4.396 1.00 0.52 H new ATOM 0 HG2 ARG A 102 6.043 -1.388 6.393 1.00 0.87 H new ATOM 0 HG3 ARG A 102 4.362 -1.309 6.882 1.00 0.87 H new ATOM 0 HD2 ARG A 102 4.282 -3.810 6.933 1.00 1.12 H new ATOM 0 HD3 ARG A 102 5.979 -3.860 6.499 1.00 1.12 H new ATOM 0 HE ARG A 102 4.982 -2.597 9.034 1.00 1.87 H new ATOM 0 HH11 ARG A 102 7.375 -4.409 7.181 1.00 2.78 H new ATOM 0 HH12 ARG A 102 8.362 -4.786 8.597 1.00 2.78 H new ATOM 0 HH21 ARG A 102 6.244 -3.102 10.859 1.00 3.57 H new ATOM 0 HH22 ARG A 102 7.724 -4.049 10.673 1.00 3.57 H new ATOM 1390 N ALA A 103 6.856 -0.729 3.146 1.00 0.34 N ATOM 1391 CA ALA A 103 8.208 -0.262 2.898 1.00 0.32 C ATOM 1392 C ALA A 103 8.206 1.200 2.475 1.00 0.33 C ATOM 1393 O ALA A 103 9.095 1.958 2.841 1.00 0.35 O ATOM 1394 CB ALA A 103 8.868 -1.111 1.827 1.00 0.33 C ATOM 0 H ALA A 103 6.575 -1.518 2.564 1.00 0.34 H new ATOM 0 HA ALA A 103 8.775 -0.353 3.824 1.00 0.32 H new ATOM 0 HB1 ALA A 103 9.881 -0.751 1.650 1.00 0.33 H new ATOM 0 HB2 ALA A 103 8.904 -2.149 2.157 1.00 0.33 H new ATOM 0 HB3 ALA A 103 8.293 -1.044 0.904 1.00 0.33 H new ATOM 1400 N ALA A 104 7.185 1.595 1.723 1.00 0.33 N ATOM 1401 CA ALA A 104 7.085 2.957 1.229 1.00 0.35 C ATOM 1402 C ALA A 104 6.849 3.915 2.383 1.00 0.35 C ATOM 1403 O ALA A 104 7.344 5.040 2.385 1.00 0.38 O ATOM 1404 CB ALA A 104 5.972 3.070 0.198 1.00 0.39 C ATOM 0 H ALA A 104 6.415 0.987 1.443 1.00 0.33 H new ATOM 0 HA ALA A 104 8.024 3.224 0.744 1.00 0.35 H new ATOM 0 HB1 ALA A 104 5.912 4.097 -0.161 1.00 0.39 H new ATOM 0 HB2 ALA A 104 6.183 2.405 -0.639 1.00 0.39 H new ATOM 0 HB3 ALA A 104 5.023 2.789 0.655 1.00 0.39 H new ATOM 1410 N SER A 105 6.108 3.451 3.379 1.00 0.34 N ATOM 1411 CA SER A 105 5.844 4.257 4.555 1.00 0.36 C ATOM 1412 C SER A 105 7.110 4.366 5.404 1.00 0.34 C ATOM 1413 O SER A 105 7.466 5.450 5.862 1.00 0.33 O ATOM 1414 CB SER A 105 4.697 3.657 5.361 1.00 0.40 C ATOM 1415 OG SER A 105 3.635 3.250 4.511 1.00 0.64 O ATOM 0 H SER A 105 5.682 2.524 3.394 1.00 0.34 H new ATOM 0 HA SER A 105 5.549 5.259 4.243 1.00 0.36 H new ATOM 0 HB2 SER A 105 5.058 2.802 5.933 1.00 0.40 H new ATOM 0 HB3 SER A 105 4.331 4.390 6.080 1.00 0.40 H new ATOM 0 HG SER A 105 2.986 2.726 5.026 1.00 0.64 H new ATOM 1421 N ASN A 106 7.799 3.239 5.584 1.00 0.36 N ATOM 1422 CA ASN A 106 9.085 3.223 6.285 1.00 0.37 C ATOM 1423 C ASN A 106 10.082 4.133 5.578 1.00 0.36 C ATOM 1424 O ASN A 106 10.783 4.921 6.214 1.00 0.37 O ATOM 1425 CB ASN A 106 9.653 1.799 6.351 1.00 0.40 C ATOM 1426 CG ASN A 106 9.072 0.973 7.481 1.00 0.43 C ATOM 1427 OD1 ASN A 106 8.721 1.502 8.533 1.00 1.09 O ATOM 1428 ND2 ASN A 106 8.979 -0.333 7.276 1.00 1.32 N ATOM 0 H ASN A 106 7.489 2.325 5.254 1.00 0.36 H new ATOM 0 HA ASN A 106 8.920 3.584 7.300 1.00 0.37 H new ATOM 0 HB2 ASN A 106 9.460 1.294 5.405 1.00 0.40 H new ATOM 0 HB3 ASN A 106 10.735 1.852 6.469 1.00 0.40 H new ATOM 0 HD21 ASN A 106 8.605 -0.939 8.007 1.00 1.32 H new ATOM 0 HD22 ASN A 106 9.282 -0.733 6.388 1.00 1.32 H new ATOM 1435 N MET A 107 10.118 4.018 4.257 1.00 0.38 N ATOM 1436 CA MET A 107 11.005 4.814 3.417 1.00 0.40 C ATOM 1437 C MET A 107 10.728 6.299 3.615 1.00 0.40 C ATOM 1438 O MET A 107 11.645 7.098 3.812 1.00 0.45 O ATOM 1439 CB MET A 107 10.775 4.431 1.953 1.00 0.46 C ATOM 1440 CG MET A 107 12.033 4.402 1.100 1.00 0.44 C ATOM 1441 SD MET A 107 12.808 6.015 0.916 1.00 1.26 S ATOM 1442 CE MET A 107 14.125 5.591 -0.219 1.00 0.70 C ATOM 0 H MET A 107 9.531 3.367 3.735 1.00 0.38 H new ATOM 0 HA MET A 107 12.041 4.617 3.693 1.00 0.40 H new ATOM 0 HB2 MET A 107 10.306 3.448 1.918 1.00 0.46 H new ATOM 0 HB3 MET A 107 10.070 5.137 1.513 1.00 0.46 H new ATOM 0 HG2 MET A 107 12.749 3.712 1.545 1.00 0.44 H new ATOM 0 HG3 MET A 107 11.785 4.011 0.113 1.00 0.44 H new ATOM 0 HE1 MET A 107 14.264 6.401 -0.935 1.00 0.70 H new ATOM 0 HE2 MET A 107 15.049 5.436 0.338 1.00 0.70 H new ATOM 0 HE3 MET A 107 13.865 4.677 -0.752 1.00 0.70 H new ATOM 1452 N ALA A 108 9.450 6.647 3.590 1.00 0.36 N ATOM 1453 CA ALA A 108 9.018 8.026 3.741 1.00 0.38 C ATOM 1454 C ALA A 108 9.334 8.564 5.137 1.00 0.39 C ATOM 1455 O ALA A 108 9.584 9.758 5.306 1.00 0.43 O ATOM 1456 CB ALA A 108 7.529 8.133 3.453 1.00 0.38 C ATOM 0 H ALA A 108 8.686 5.983 3.465 1.00 0.36 H new ATOM 0 HA ALA A 108 9.568 8.636 3.024 1.00 0.38 H new ATOM 0 HB1 ALA A 108 7.210 9.169 3.568 1.00 0.38 H new ATOM 0 HB2 ALA A 108 7.331 7.803 2.433 1.00 0.38 H new ATOM 0 HB3 ALA A 108 6.977 7.504 4.152 1.00 0.38 H new ATOM 1462 N LEU A 109 9.338 7.676 6.126 1.00 0.38 N ATOM 1463 CA LEU A 109 9.592 8.067 7.511 1.00 0.40 C ATOM 1464 C LEU A 109 11.089 8.135 7.816 1.00 0.43 C ATOM 1465 O LEU A 109 11.485 8.460 8.937 1.00 0.65 O ATOM 1466 CB LEU A 109 8.909 7.091 8.474 1.00 0.38 C ATOM 1467 CG LEU A 109 7.378 7.105 8.442 1.00 0.48 C ATOM 1468 CD1 LEU A 109 6.814 6.038 9.366 1.00 0.75 C ATOM 1469 CD2 LEU A 109 6.849 8.477 8.829 1.00 0.82 C ATOM 0 H LEU A 109 9.168 6.679 5.995 1.00 0.38 H new ATOM 0 HA LEU A 109 9.175 9.065 7.650 1.00 0.40 H new ATOM 0 HB2 LEU A 109 9.252 6.082 8.246 1.00 0.38 H new ATOM 0 HB3 LEU A 109 9.237 7.318 9.488 1.00 0.38 H new ATOM 0 HG LEU A 109 7.055 6.885 7.425 1.00 0.48 H new ATOM 0 HD11 LEU A 109 5.725 6.064 9.329 1.00 0.75 H new ATOM 0 HD12 LEU A 109 7.165 5.057 9.046 1.00 0.75 H new ATOM 0 HD13 LEU A 109 7.147 6.227 10.386 1.00 0.75 H new ATOM 0 HD21 LEU A 109 5.759 8.468 8.801 1.00 0.82 H new ATOM 0 HD22 LEU A 109 7.184 8.725 9.836 1.00 0.82 H new ATOM 0 HD23 LEU A 109 7.224 9.223 8.128 1.00 0.82 H new ATOM 1481 N GLY A 110 11.916 7.818 6.827 1.00 0.39 N ATOM 1482 CA GLY A 110 13.353 7.912 7.006 1.00 0.41 C ATOM 1483 C GLY A 110 13.969 6.612 7.484 1.00 0.39 C ATOM 1484 O GLY A 110 15.154 6.563 7.827 1.00 0.47 O ATOM 0 H GLY A 110 11.618 7.498 5.905 1.00 0.39 H new ATOM 0 HA2 GLY A 110 13.814 8.203 6.062 1.00 0.41 H new ATOM 0 HA3 GLY A 110 13.575 8.700 7.725 1.00 0.41 H new ATOM 1488 N LYS A 111 13.168 5.556 7.513 1.00 0.36 N ATOM 1489 CA LYS A 111 13.650 4.241 7.905 1.00 0.38 C ATOM 1490 C LYS A 111 14.143 3.496 6.673 1.00 0.30 C ATOM 1491 O LYS A 111 13.480 2.586 6.187 1.00 0.32 O ATOM 1492 CB LYS A 111 12.538 3.431 8.578 1.00 0.53 C ATOM 1493 CG LYS A 111 11.897 4.115 9.772 1.00 0.74 C ATOM 1494 CD LYS A 111 10.691 3.334 10.264 1.00 0.54 C ATOM 1495 CE LYS A 111 9.857 4.133 11.253 1.00 1.22 C ATOM 1496 NZ LYS A 111 10.574 4.391 12.530 1.00 1.73 N ATOM 0 H LYS A 111 12.178 5.586 7.269 1.00 0.36 H new ATOM 0 HA LYS A 111 14.466 4.368 8.617 1.00 0.38 H new ATOM 0 HB2 LYS A 111 11.765 3.216 7.840 1.00 0.53 H new ATOM 0 HB3 LYS A 111 12.947 2.473 8.900 1.00 0.53 H new ATOM 0 HG2 LYS A 111 12.626 4.209 10.576 1.00 0.74 H new ATOM 0 HG3 LYS A 111 11.593 5.125 9.497 1.00 0.74 H new ATOM 0 HD2 LYS A 111 10.071 3.051 9.413 1.00 0.54 H new ATOM 0 HD3 LYS A 111 11.026 2.410 10.736 1.00 0.54 H new ATOM 0 HE2 LYS A 111 9.576 5.084 10.800 1.00 1.22 H new ATOM 0 HE3 LYS A 111 8.933 3.594 11.462 1.00 1.22 H new ATOM 0 HZ1 LYS A 111 9.961 4.938 13.168 1.00 1.73 H new ATOM 0 HZ2 LYS A 111 10.820 3.486 12.979 1.00 1.73 H new ATOM 0 HZ3 LYS A 111 11.443 4.930 12.338 1.00 1.73 H new ATOM 1510 N PHE A 112 15.296 3.899 6.163 1.00 0.30 N ATOM 1511 CA PHE A 112 15.818 3.353 4.916 1.00 0.29 C ATOM 1512 C PHE A 112 16.159 1.870 5.038 1.00 0.30 C ATOM 1513 O PHE A 112 16.020 1.119 4.079 1.00 0.34 O ATOM 1514 CB PHE A 112 17.044 4.146 4.470 1.00 0.35 C ATOM 1515 CG PHE A 112 16.775 5.616 4.350 1.00 0.39 C ATOM 1516 CD1 PHE A 112 15.783 6.083 3.504 1.00 0.41 C ATOM 1517 CD2 PHE A 112 17.502 6.529 5.093 1.00 0.48 C ATOM 1518 CE1 PHE A 112 15.524 7.434 3.399 1.00 0.48 C ATOM 1519 CE2 PHE A 112 17.248 7.881 4.993 1.00 0.54 C ATOM 1520 CZ PHE A 112 16.258 8.335 4.145 1.00 0.53 C ATOM 0 H PHE A 112 15.892 4.606 6.594 1.00 0.30 H new ATOM 0 HA PHE A 112 15.035 3.444 4.163 1.00 0.29 H new ATOM 0 HB2 PHE A 112 17.853 3.987 5.183 1.00 0.35 H new ATOM 0 HB3 PHE A 112 17.387 3.765 3.508 1.00 0.35 H new ATOM 0 HD1 PHE A 112 15.206 5.382 2.920 1.00 0.41 H new ATOM 0 HD2 PHE A 112 18.277 6.179 5.759 1.00 0.48 H new ATOM 0 HE1 PHE A 112 14.749 7.786 2.735 1.00 0.48 H new ATOM 0 HE2 PHE A 112 17.823 8.584 5.578 1.00 0.54 H new ATOM 0 HZ PHE A 112 16.058 9.393 4.065 1.00 0.53 H new ATOM 1530 N ARG A 113 16.590 1.442 6.213 1.00 0.34 N ATOM 1531 CA ARG A 113 16.934 0.041 6.420 1.00 0.38 C ATOM 1532 C ARG A 113 15.679 -0.775 6.707 1.00 0.34 C ATOM 1533 O ARG A 113 15.567 -1.930 6.293 1.00 0.34 O ATOM 1534 CB ARG A 113 17.942 -0.109 7.559 1.00 0.49 C ATOM 1535 CG ARG A 113 19.250 0.628 7.313 1.00 1.21 C ATOM 1536 CD ARG A 113 20.207 0.491 8.486 1.00 1.58 C ATOM 1537 NE ARG A 113 20.648 -0.891 8.690 1.00 2.42 N ATOM 1538 CZ ARG A 113 21.118 -1.359 9.847 1.00 3.14 C ATOM 1539 NH1 ARG A 113 21.168 -0.566 10.913 1.00 3.25 N ATOM 1540 NH2 ARG A 113 21.536 -2.617 9.939 1.00 4.15 N ATOM 0 H ARG A 113 16.710 2.037 7.033 1.00 0.34 H new ATOM 0 HA ARG A 113 17.395 -0.337 5.507 1.00 0.38 H new ATOM 0 HB2 ARG A 113 17.494 0.261 8.481 1.00 0.49 H new ATOM 0 HB3 ARG A 113 18.153 -1.168 7.709 1.00 0.49 H new ATOM 0 HG2 ARG A 113 19.722 0.238 6.412 1.00 1.21 H new ATOM 0 HG3 ARG A 113 19.044 1.683 7.134 1.00 1.21 H new ATOM 0 HD2 ARG A 113 21.077 1.126 8.317 1.00 1.58 H new ATOM 0 HD3 ARG A 113 19.720 0.851 9.392 1.00 1.58 H new ATOM 0 HE ARG A 113 20.592 -1.534 7.900 1.00 2.42 H new ATOM 0 HH11 ARG A 113 20.847 0.400 10.846 1.00 3.25 H new ATOM 0 HH12 ARG A 113 21.527 -0.923 11.798 1.00 3.25 H new ATOM 0 HH21 ARG A 113 21.498 -3.228 9.123 1.00 4.15 H new ATOM 0 HH22 ARG A 113 21.895 -2.972 10.825 1.00 4.15 H new ATOM 1554 N ALA A 114 14.725 -0.162 7.401 1.00 0.34 N ATOM 1555 CA ALA A 114 13.447 -0.806 7.670 1.00 0.34 C ATOM 1556 C ALA A 114 12.663 -0.967 6.374 1.00 0.28 C ATOM 1557 O ALA A 114 12.084 -2.014 6.100 1.00 0.30 O ATOM 1558 CB ALA A 114 12.644 -0.010 8.685 1.00 0.40 C ATOM 0 H ALA A 114 14.814 0.778 7.786 1.00 0.34 H new ATOM 0 HA ALA A 114 13.637 -1.793 8.092 1.00 0.34 H new ATOM 0 HB1 ALA A 114 11.693 -0.510 8.870 1.00 0.40 H new ATOM 0 HB2 ALA A 114 13.204 0.061 9.617 1.00 0.40 H new ATOM 0 HB3 ALA A 114 12.457 0.991 8.297 1.00 0.40 H new ATOM 1564 N ALA A 115 12.688 0.070 5.558 1.00 0.26 N ATOM 1565 CA ALA A 115 12.030 0.036 4.267 1.00 0.23 C ATOM 1566 C ALA A 115 12.731 -0.955 3.367 1.00 0.23 C ATOM 1567 O ALA A 115 12.099 -1.661 2.583 1.00 0.25 O ATOM 1568 CB ALA A 115 12.037 1.413 3.634 1.00 0.23 C ATOM 0 H ALA A 115 13.159 0.950 5.768 1.00 0.26 H new ATOM 0 HA ALA A 115 10.994 -0.274 4.405 1.00 0.23 H new ATOM 0 HB1 ALA A 115 11.539 1.371 2.665 1.00 0.23 H new ATOM 0 HB2 ALA A 115 11.511 2.114 4.282 1.00 0.23 H new ATOM 0 HB3 ALA A 115 13.066 1.746 3.499 1.00 0.23 H new ATOM 1574 N LEU A 116 14.046 -1.019 3.503 1.00 0.24 N ATOM 1575 CA LEU A 116 14.840 -1.913 2.694 1.00 0.28 C ATOM 1576 C LEU A 116 14.500 -3.363 2.981 1.00 0.29 C ATOM 1577 O LEU A 116 14.459 -4.165 2.067 1.00 0.30 O ATOM 1578 CB LEU A 116 16.333 -1.697 2.914 1.00 0.32 C ATOM 1579 CG LEU A 116 17.215 -2.563 2.019 1.00 0.40 C ATOM 1580 CD1 LEU A 116 16.883 -2.301 0.564 1.00 0.47 C ATOM 1581 CD2 LEU A 116 18.688 -2.316 2.287 1.00 0.49 C ATOM 0 H LEU A 116 14.581 -0.460 4.168 1.00 0.24 H new ATOM 0 HA LEU A 116 14.601 -1.686 1.655 1.00 0.28 H new ATOM 0 HB2 LEU A 116 16.570 -0.648 2.737 1.00 0.32 H new ATOM 0 HB3 LEU A 116 16.572 -1.906 3.957 1.00 0.32 H new ATOM 0 HG LEU A 116 17.014 -3.610 2.247 1.00 0.40 H new ATOM 0 HD11 LEU A 116 17.515 -2.922 -0.071 1.00 0.47 H new ATOM 0 HD12 LEU A 116 15.836 -2.543 0.380 1.00 0.47 H new ATOM 0 HD13 LEU A 116 17.058 -1.250 0.334 1.00 0.47 H new ATOM 0 HD21 LEU A 116 19.288 -2.949 1.633 1.00 0.49 H new ATOM 0 HD22 LEU A 116 18.922 -1.269 2.094 1.00 0.49 H new ATOM 0 HD23 LEU A 116 18.913 -2.553 3.327 1.00 0.49 H new ATOM 1593 N ARG A 117 14.261 -3.709 4.240 1.00 0.34 N ATOM 1594 CA ARG A 117 13.973 -5.097 4.574 1.00 0.40 C ATOM 1595 C ARG A 117 12.573 -5.490 4.112 1.00 0.34 C ATOM 1596 O ARG A 117 12.308 -6.662 3.838 1.00 0.35 O ATOM 1597 CB ARG A 117 14.197 -5.385 6.070 1.00 0.57 C ATOM 1598 CG ARG A 117 13.431 -4.502 7.044 1.00 0.70 C ATOM 1599 CD ARG A 117 11.959 -4.881 7.156 1.00 1.01 C ATOM 1600 NE ARG A 117 11.755 -6.300 7.454 1.00 1.90 N ATOM 1601 CZ ARG A 117 10.585 -6.923 7.298 1.00 2.55 C ATOM 1602 NH1 ARG A 117 9.527 -6.249 6.870 1.00 2.45 N ATOM 1603 NH2 ARG A 117 10.471 -8.220 7.566 1.00 3.56 N ATOM 0 H ARG A 117 14.260 -3.064 5.030 1.00 0.34 H new ATOM 0 HA ARG A 117 14.681 -5.724 4.032 1.00 0.40 H new ATOM 0 HB2 ARG A 117 13.928 -6.423 6.264 1.00 0.57 H new ATOM 0 HB3 ARG A 117 15.262 -5.287 6.283 1.00 0.57 H new ATOM 0 HG2 ARG A 117 13.894 -4.569 8.028 1.00 0.70 H new ATOM 0 HG3 ARG A 117 13.510 -3.463 6.724 1.00 0.70 H new ATOM 0 HD2 ARG A 117 11.493 -4.281 7.938 1.00 1.01 H new ATOM 0 HD3 ARG A 117 11.454 -4.635 6.222 1.00 1.01 H new ATOM 0 HE ARG A 117 12.548 -6.841 7.799 1.00 1.90 H new ATOM 0 HH11 ARG A 117 9.607 -5.254 6.660 1.00 2.45 H new ATOM 0 HH12 ARG A 117 8.633 -6.725 6.751 1.00 2.45 H new ATOM 0 HH21 ARG A 117 11.281 -8.746 7.893 1.00 3.56 H new ATOM 0 HH22 ARG A 117 9.573 -8.689 7.444 1.00 3.56 H new ATOM 1617 N ASP A 118 11.686 -4.508 4.001 1.00 0.33 N ATOM 1618 CA ASP A 118 10.363 -4.755 3.441 1.00 0.33 C ATOM 1619 C ASP A 118 10.452 -4.902 1.923 1.00 0.28 C ATOM 1620 O ASP A 118 9.932 -5.865 1.358 1.00 0.31 O ATOM 1621 CB ASP A 118 9.377 -3.649 3.829 1.00 0.40 C ATOM 1622 CG ASP A 118 8.800 -3.838 5.220 1.00 0.63 C ATOM 1623 OD1 ASP A 118 9.483 -3.495 6.202 1.00 1.06 O ATOM 1624 OD2 ASP A 118 7.671 -4.356 5.343 1.00 0.77 O ATOM 0 H ASP A 118 11.856 -3.544 4.288 1.00 0.33 H new ATOM 0 HA ASP A 118 9.985 -5.688 3.859 1.00 0.33 H new ATOM 0 HB2 ASP A 118 9.882 -2.684 3.778 1.00 0.40 H new ATOM 0 HB3 ASP A 118 8.564 -3.622 3.104 1.00 0.40 H new ATOM 1629 N TYR A 119 11.140 -3.964 1.267 1.00 0.24 N ATOM 1630 CA TYR A 119 11.384 -4.052 -0.176 1.00 0.26 C ATOM 1631 C TYR A 119 12.166 -5.313 -0.518 1.00 0.28 C ATOM 1632 O TYR A 119 11.900 -5.973 -1.522 1.00 0.33 O ATOM 1633 CB TYR A 119 12.161 -2.834 -0.683 1.00 0.28 C ATOM 1634 CG TYR A 119 11.346 -1.566 -0.788 1.00 0.33 C ATOM 1635 CD1 TYR A 119 10.103 -1.563 -1.409 1.00 0.38 C ATOM 1636 CD2 TYR A 119 11.827 -0.368 -0.279 1.00 0.38 C ATOM 1637 CE1 TYR A 119 9.364 -0.399 -1.516 1.00 0.46 C ATOM 1638 CE2 TYR A 119 11.096 0.798 -0.384 1.00 0.47 C ATOM 1639 CZ TYR A 119 9.865 0.778 -1.002 1.00 0.50 C ATOM 1640 OH TYR A 119 9.138 1.939 -1.111 1.00 0.60 O ATOM 0 H TYR A 119 11.538 -3.136 1.711 1.00 0.24 H new ATOM 0 HA TYR A 119 10.410 -4.083 -0.664 1.00 0.26 H new ATOM 0 HB2 TYR A 119 13.004 -2.654 -0.016 1.00 0.28 H new ATOM 0 HB3 TYR A 119 12.575 -3.066 -1.664 1.00 0.28 H new ATOM 0 HD1 TYR A 119 9.708 -2.483 -1.814 1.00 0.38 H new ATOM 0 HD2 TYR A 119 12.791 -0.348 0.208 1.00 0.38 H new ATOM 0 HE1 TYR A 119 8.399 -0.412 -2.000 1.00 0.46 H new ATOM 0 HE2 TYR A 119 11.487 1.722 0.016 1.00 0.47 H new ATOM 0 HH TYR A 119 9.634 2.676 -0.696 1.00 0.60 H new ATOM 1650 N GLU A 120 13.135 -5.634 0.332 1.00 0.28 N ATOM 1651 CA GLU A 120 13.969 -6.814 0.166 1.00 0.34 C ATOM 1652 C GLU A 120 13.098 -8.052 0.101 1.00 0.37 C ATOM 1653 O GLU A 120 13.257 -8.891 -0.773 1.00 0.43 O ATOM 1654 CB GLU A 120 14.949 -6.938 1.334 1.00 0.36 C ATOM 1655 CG GLU A 120 16.107 -7.884 1.068 1.00 0.42 C ATOM 1656 CD GLU A 120 16.894 -8.213 2.319 1.00 0.48 C ATOM 1657 OE1 GLU A 120 16.502 -9.153 3.043 1.00 0.61 O ATOM 1658 OE2 GLU A 120 17.908 -7.538 2.585 1.00 0.58 O ATOM 0 H GLU A 120 13.363 -5.080 1.158 1.00 0.28 H new ATOM 0 HA GLU A 120 14.533 -6.717 -0.762 1.00 0.34 H new ATOM 0 HB2 GLU A 120 15.346 -5.950 1.569 1.00 0.36 H new ATOM 0 HB3 GLU A 120 14.407 -7.281 2.215 1.00 0.36 H new ATOM 0 HG2 GLU A 120 15.724 -8.807 0.632 1.00 0.42 H new ATOM 0 HG3 GLU A 120 16.774 -7.436 0.331 1.00 0.42 H new ATOM 1665 N THR A 121 12.161 -8.143 1.029 1.00 0.36 N ATOM 1666 CA THR A 121 11.247 -9.262 1.072 1.00 0.40 C ATOM 1667 C THR A 121 10.430 -9.337 -0.217 1.00 0.40 C ATOM 1668 O THR A 121 10.237 -10.416 -0.780 1.00 0.45 O ATOM 1669 CB THR A 121 10.317 -9.155 2.289 1.00 0.41 C ATOM 1670 OG1 THR A 121 11.102 -9.104 3.490 1.00 0.43 O ATOM 1671 CG2 THR A 121 9.371 -10.338 2.349 1.00 0.47 C ATOM 0 H THR A 121 12.016 -7.450 1.764 1.00 0.36 H new ATOM 0 HA THR A 121 11.832 -10.177 1.165 1.00 0.40 H new ATOM 0 HB THR A 121 9.726 -8.244 2.196 1.00 0.41 H new ATOM 0 HG1 THR A 121 11.578 -8.248 3.534 1.00 0.43 H new ATOM 0 HG21 THR A 121 8.722 -10.241 3.219 1.00 0.47 H new ATOM 0 HG22 THR A 121 8.764 -10.365 1.444 1.00 0.47 H new ATOM 0 HG23 THR A 121 9.946 -11.260 2.427 1.00 0.47 H new ATOM 1679 N VAL A 122 9.981 -8.181 -0.694 1.00 0.37 N ATOM 1680 CA VAL A 122 9.257 -8.096 -1.955 1.00 0.39 C ATOM 1681 C VAL A 122 10.095 -8.673 -3.097 1.00 0.44 C ATOM 1682 O VAL A 122 9.626 -9.513 -3.870 1.00 0.50 O ATOM 1683 CB VAL A 122 8.883 -6.633 -2.293 1.00 0.38 C ATOM 1684 CG1 VAL A 122 8.123 -6.550 -3.605 1.00 0.43 C ATOM 1685 CG2 VAL A 122 8.063 -6.016 -1.174 1.00 0.36 C ATOM 0 H VAL A 122 10.107 -7.286 -0.222 1.00 0.37 H new ATOM 0 HA VAL A 122 8.342 -8.677 -1.842 1.00 0.39 H new ATOM 0 HB VAL A 122 9.811 -6.071 -2.399 1.00 0.38 H new ATOM 0 HG11 VAL A 122 7.874 -5.510 -3.816 1.00 0.43 H new ATOM 0 HG12 VAL A 122 8.743 -6.945 -4.410 1.00 0.43 H new ATOM 0 HG13 VAL A 122 7.206 -7.135 -3.532 1.00 0.43 H new ATOM 0 HG21 VAL A 122 7.811 -4.987 -1.432 1.00 0.36 H new ATOM 0 HG22 VAL A 122 7.147 -6.590 -1.035 1.00 0.36 H new ATOM 0 HG23 VAL A 122 8.642 -6.027 -0.250 1.00 0.36 H new ATOM 1695 N VAL A 123 11.347 -8.240 -3.173 1.00 0.44 N ATOM 1696 CA VAL A 123 12.235 -8.646 -4.253 1.00 0.51 C ATOM 1697 C VAL A 123 12.792 -10.054 -4.016 1.00 0.57 C ATOM 1698 O VAL A 123 13.496 -10.605 -4.861 1.00 0.67 O ATOM 1699 CB VAL A 123 13.394 -7.635 -4.428 1.00 0.50 C ATOM 1700 CG1 VAL A 123 14.491 -7.855 -3.398 1.00 0.48 C ATOM 1701 CG2 VAL A 123 13.951 -7.683 -5.844 1.00 0.59 C ATOM 0 H VAL A 123 11.771 -7.605 -2.496 1.00 0.44 H new ATOM 0 HA VAL A 123 11.647 -8.662 -5.170 1.00 0.51 H new ATOM 0 HB VAL A 123 12.987 -6.638 -4.260 1.00 0.50 H new ATOM 0 HG11 VAL A 123 15.287 -7.127 -3.553 1.00 0.48 H new ATOM 0 HG12 VAL A 123 14.079 -7.735 -2.396 1.00 0.48 H new ATOM 0 HG13 VAL A 123 14.895 -8.862 -3.506 1.00 0.48 H new ATOM 0 HG21 VAL A 123 14.764 -6.963 -5.940 1.00 0.59 H new ATOM 0 HG22 VAL A 123 14.327 -8.685 -6.053 1.00 0.59 H new ATOM 0 HG23 VAL A 123 13.162 -7.436 -6.554 1.00 0.59 H new ATOM 1711 N LYS A 124 12.488 -10.632 -2.859 1.00 0.55 N ATOM 1712 CA LYS A 124 12.877 -12.007 -2.577 1.00 0.61 C ATOM 1713 C LYS A 124 11.741 -12.965 -2.901 1.00 0.63 C ATOM 1714 O LYS A 124 11.949 -14.174 -3.026 1.00 0.72 O ATOM 1715 CB LYS A 124 13.319 -12.169 -1.119 1.00 0.62 C ATOM 1716 CG LYS A 124 14.642 -11.478 -0.819 1.00 0.67 C ATOM 1717 CD LYS A 124 15.138 -11.752 0.592 1.00 0.75 C ATOM 1718 CE LYS A 124 14.163 -11.262 1.647 1.00 0.67 C ATOM 1719 NZ LYS A 124 14.789 -11.218 2.994 1.00 1.07 N ATOM 0 H LYS A 124 11.976 -10.172 -2.106 1.00 0.55 H new ATOM 0 HA LYS A 124 13.726 -12.251 -3.215 1.00 0.61 H new ATOM 0 HB2 LYS A 124 12.547 -11.765 -0.464 1.00 0.62 H new ATOM 0 HB3 LYS A 124 13.409 -13.230 -0.888 1.00 0.62 H new ATOM 0 HG2 LYS A 124 15.393 -11.812 -1.535 1.00 0.67 H new ATOM 0 HG3 LYS A 124 14.526 -10.403 -0.957 1.00 0.67 H new ATOM 0 HD2 LYS A 124 15.299 -12.823 0.717 1.00 0.75 H new ATOM 0 HD3 LYS A 124 16.103 -11.266 0.737 1.00 0.75 H new ATOM 0 HE2 LYS A 124 13.806 -10.268 1.379 1.00 0.67 H new ATOM 0 HE3 LYS A 124 13.293 -11.918 1.671 1.00 0.67 H new ATOM 0 HZ1 LYS A 124 14.142 -10.753 3.663 1.00 1.07 H new ATOM 0 HZ2 LYS A 124 14.984 -12.187 3.318 1.00 1.07 H new ATOM 0 HZ3 LYS A 124 15.679 -10.683 2.946 1.00 1.07 H new ATOM 1733 N VAL A 125 10.537 -12.426 -3.032 1.00 0.59 N ATOM 1734 CA VAL A 125 9.386 -13.229 -3.422 1.00 0.63 C ATOM 1735 C VAL A 125 9.194 -13.178 -4.933 1.00 0.69 C ATOM 1736 O VAL A 125 8.987 -14.208 -5.577 1.00 0.75 O ATOM 1737 CB VAL A 125 8.093 -12.769 -2.718 1.00 0.60 C ATOM 1738 CG1 VAL A 125 6.913 -13.637 -3.137 1.00 0.66 C ATOM 1739 CG2 VAL A 125 8.267 -12.803 -1.208 1.00 0.59 C ATOM 0 H VAL A 125 10.332 -11.439 -2.875 1.00 0.59 H new ATOM 0 HA VAL A 125 9.588 -14.254 -3.112 1.00 0.63 H new ATOM 0 HB VAL A 125 7.887 -11.742 -3.020 1.00 0.60 H new ATOM 0 HG11 VAL A 125 6.011 -13.295 -2.629 1.00 0.66 H new ATOM 0 HG12 VAL A 125 6.772 -13.563 -4.215 1.00 0.66 H new ATOM 0 HG13 VAL A 125 7.110 -14.674 -2.867 1.00 0.66 H new ATOM 0 HG21 VAL A 125 7.345 -12.475 -0.728 1.00 0.59 H new ATOM 0 HG22 VAL A 125 8.499 -13.820 -0.891 1.00 0.59 H new ATOM 0 HG23 VAL A 125 9.082 -12.138 -0.921 1.00 0.59 H new ATOM 1749 N LYS A 126 9.293 -11.979 -5.499 1.00 0.68 N ATOM 1750 CA LYS A 126 9.179 -11.795 -6.941 1.00 0.76 C ATOM 1751 C LYS A 126 10.348 -10.970 -7.477 1.00 0.75 C ATOM 1752 O LYS A 126 10.194 -9.807 -7.853 1.00 0.73 O ATOM 1753 CB LYS A 126 7.830 -11.159 -7.304 1.00 0.80 C ATOM 1754 CG LYS A 126 7.196 -10.379 -6.163 1.00 0.73 C ATOM 1755 CD LYS A 126 7.484 -8.893 -6.263 1.00 0.71 C ATOM 1756 CE LYS A 126 6.571 -8.224 -7.278 1.00 0.73 C ATOM 1757 NZ LYS A 126 6.723 -6.746 -7.292 1.00 1.12 N ATOM 0 H LYS A 126 9.453 -11.117 -4.978 1.00 0.68 H new ATOM 0 HA LYS A 126 9.221 -12.775 -7.416 1.00 0.76 H new ATOM 0 HB2 LYS A 126 7.970 -10.492 -8.155 1.00 0.80 H new ATOM 0 HB3 LYS A 126 7.143 -11.943 -7.623 1.00 0.80 H new ATOM 0 HG2 LYS A 126 6.118 -10.541 -6.168 1.00 0.73 H new ATOM 0 HG3 LYS A 126 7.571 -10.758 -5.212 1.00 0.73 H new ATOM 0 HD2 LYS A 126 7.350 -8.427 -5.287 1.00 0.71 H new ATOM 0 HD3 LYS A 126 8.525 -8.740 -6.549 1.00 0.71 H new ATOM 0 HE2 LYS A 126 6.787 -8.618 -8.271 1.00 0.73 H new ATOM 0 HE3 LYS A 126 5.535 -8.477 -7.053 1.00 0.73 H new ATOM 0 HZ1 LYS A 126 5.785 -6.301 -7.346 1.00 1.12 H new ATOM 0 HZ2 LYS A 126 7.203 -6.438 -6.422 1.00 1.12 H new ATOM 0 HZ3 LYS A 126 7.288 -6.463 -8.118 1.00 1.12 H new ATOM 1771 N PRO A 127 11.540 -11.585 -7.495 1.00 0.80 N ATOM 1772 CA PRO A 127 12.779 -10.947 -7.950 1.00 0.83 C ATOM 1773 C PRO A 127 12.763 -10.646 -9.438 1.00 0.92 C ATOM 1774 O PRO A 127 13.456 -9.745 -9.911 1.00 0.96 O ATOM 1775 CB PRO A 127 13.874 -11.978 -7.657 1.00 0.87 C ATOM 1776 CG PRO A 127 13.239 -13.041 -6.825 1.00 0.97 C ATOM 1777 CD PRO A 127 11.759 -12.962 -7.051 1.00 0.86 C ATOM 0 HA PRO A 127 12.927 -9.991 -7.447 1.00 0.83 H new ATOM 0 HB2 PRO A 127 14.273 -12.395 -8.582 1.00 0.87 H new ATOM 0 HB3 PRO A 127 14.709 -11.518 -7.129 1.00 0.87 H new ATOM 0 HG2 PRO A 127 13.618 -14.024 -7.104 1.00 0.97 H new ATOM 0 HG3 PRO A 127 13.475 -12.896 -5.771 1.00 0.97 H new ATOM 0 HD2 PRO A 127 11.431 -13.680 -7.803 1.00 0.86 H new ATOM 0 HD3 PRO A 127 11.204 -13.180 -6.139 1.00 0.86 H new ATOM 1785 N HIS A 128 11.975 -11.414 -10.175 1.00 0.99 N ATOM 1786 CA HIS A 128 11.879 -11.243 -11.619 1.00 1.12 C ATOM 1787 C HIS A 128 11.019 -10.040 -11.970 1.00 1.04 C ATOM 1788 O HIS A 128 10.865 -9.700 -13.143 1.00 1.11 O ATOM 1789 CB HIS A 128 11.302 -12.493 -12.287 1.00 1.33 C ATOM 1790 CG HIS A 128 12.200 -13.690 -12.233 1.00 2.00 C ATOM 1791 ND1 HIS A 128 13.038 -14.049 -13.266 1.00 2.75 N ATOM 1792 CD2 HIS A 128 12.373 -14.624 -11.270 1.00 2.49 C ATOM 1793 CE1 HIS A 128 13.685 -15.150 -12.941 1.00 3.56 C ATOM 1794 NE2 HIS A 128 13.301 -15.520 -11.735 1.00 3.37 N ATOM 0 H HIS A 128 11.392 -12.162 -9.798 1.00 0.99 H new ATOM 0 HA HIS A 128 12.890 -11.079 -11.992 1.00 1.12 H new ATOM 0 HB2 HIS A 128 10.355 -12.742 -11.809 1.00 1.33 H new ATOM 0 HB3 HIS A 128 11.082 -12.265 -13.330 1.00 1.33 H new ATOM 0 HD2 HIS A 128 11.873 -14.658 -10.313 1.00 2.49 H new ATOM 0 HE1 HIS A 128 14.408 -15.663 -13.558 1.00 3.56 H new ATOM 0 HE2 HIS A 128 13.639 -16.339 -11.230 1.00 3.37 H new ATOM 1803 N ASP A 129 10.455 -9.392 -10.962 1.00 0.92 N ATOM 1804 CA ASP A 129 9.590 -8.251 -11.201 1.00 0.89 C ATOM 1805 C ASP A 129 10.331 -6.939 -11.005 1.00 0.83 C ATOM 1806 O ASP A 129 10.866 -6.655 -9.932 1.00 0.80 O ATOM 1807 CB ASP A 129 8.360 -8.290 -10.309 1.00 0.89 C ATOM 1808 CG ASP A 129 7.410 -7.166 -10.651 1.00 0.89 C ATOM 1809 OD1 ASP A 129 6.878 -7.146 -11.783 1.00 1.09 O ATOM 1810 OD2 ASP A 129 7.214 -6.279 -9.804 1.00 1.11 O ATOM 0 H ASP A 129 10.580 -9.635 -9.979 1.00 0.92 H new ATOM 0 HA ASP A 129 9.266 -8.312 -12.240 1.00 0.89 H new ATOM 0 HB2 ASP A 129 7.853 -9.248 -10.424 1.00 0.89 H new ATOM 0 HB3 ASP A 129 8.661 -8.212 -9.264 1.00 0.89 H new ATOM 1815 N LYS A 130 10.357 -6.161 -12.074 1.00 0.85 N ATOM 1816 CA LYS A 130 10.989 -4.848 -12.109 1.00 0.89 C ATOM 1817 C LYS A 130 10.545 -3.945 -10.956 1.00 0.84 C ATOM 1818 O LYS A 130 11.337 -3.156 -10.457 1.00 0.84 O ATOM 1819 CB LYS A 130 10.699 -4.156 -13.453 1.00 1.04 C ATOM 1820 CG LYS A 130 9.282 -3.595 -13.617 1.00 1.18 C ATOM 1821 CD LYS A 130 8.195 -4.667 -13.581 1.00 1.44 C ATOM 1822 CE LYS A 130 8.233 -5.577 -14.796 1.00 2.28 C ATOM 1823 NZ LYS A 130 7.156 -6.604 -14.744 1.00 3.05 N ATOM 0 H LYS A 130 9.931 -6.428 -12.962 1.00 0.85 H new ATOM 0 HA LYS A 130 12.061 -5.011 -11.997 1.00 0.89 H new ATOM 0 HB2 LYS A 130 11.411 -3.340 -13.582 1.00 1.04 H new ATOM 0 HB3 LYS A 130 10.883 -4.870 -14.256 1.00 1.04 H new ATOM 0 HG2 LYS A 130 9.093 -2.870 -12.825 1.00 1.18 H new ATOM 0 HG3 LYS A 130 9.220 -3.057 -14.563 1.00 1.18 H new ATOM 0 HD2 LYS A 130 8.311 -5.267 -12.678 1.00 1.44 H new ATOM 0 HD3 LYS A 130 7.218 -4.187 -13.521 1.00 1.44 H new ATOM 0 HE2 LYS A 130 8.125 -4.981 -15.702 1.00 2.28 H new ATOM 0 HE3 LYS A 130 9.204 -6.069 -14.853 1.00 2.28 H new ATOM 0 HZ1 LYS A 130 7.452 -7.445 -15.280 1.00 3.05 H new ATOM 0 HZ2 LYS A 130 6.977 -6.869 -13.754 1.00 3.05 H new ATOM 0 HZ3 LYS A 130 6.286 -6.216 -15.162 1.00 3.05 H new ATOM 1837 N ASP A 131 9.296 -4.079 -10.523 1.00 0.86 N ATOM 1838 CA ASP A 131 8.747 -3.202 -9.496 1.00 0.90 C ATOM 1839 C ASP A 131 9.356 -3.526 -8.145 1.00 0.77 C ATOM 1840 O ASP A 131 9.713 -2.630 -7.377 1.00 0.80 O ATOM 1841 CB ASP A 131 7.227 -3.340 -9.440 1.00 1.05 C ATOM 1842 CG ASP A 131 6.609 -2.493 -8.349 1.00 1.45 C ATOM 1843 OD1 ASP A 131 6.729 -1.252 -8.419 1.00 1.60 O ATOM 1844 OD2 ASP A 131 5.998 -3.069 -7.424 1.00 1.82 O ATOM 0 H ASP A 131 8.646 -4.786 -10.867 1.00 0.86 H new ATOM 0 HA ASP A 131 8.994 -2.171 -9.750 1.00 0.90 H new ATOM 0 HB2 ASP A 131 6.803 -3.053 -10.402 1.00 1.05 H new ATOM 0 HB3 ASP A 131 6.966 -4.385 -9.276 1.00 1.05 H new ATOM 1849 N ALA A 132 9.495 -4.818 -7.876 1.00 0.69 N ATOM 1850 CA ALA A 132 10.131 -5.274 -6.652 1.00 0.62 C ATOM 1851 C ALA A 132 11.581 -4.832 -6.636 1.00 0.59 C ATOM 1852 O ALA A 132 12.074 -4.320 -5.631 1.00 0.56 O ATOM 1853 CB ALA A 132 10.040 -6.788 -6.526 1.00 0.65 C ATOM 0 H ALA A 132 9.175 -5.567 -8.490 1.00 0.69 H new ATOM 0 HA ALA A 132 9.610 -4.832 -5.802 1.00 0.62 H new ATOM 0 HB1 ALA A 132 10.523 -7.106 -5.602 1.00 0.65 H new ATOM 0 HB2 ALA A 132 8.993 -7.090 -6.510 1.00 0.65 H new ATOM 0 HB3 ALA A 132 10.539 -7.254 -7.375 1.00 0.65 H new ATOM 1859 N LYS A 133 12.256 -5.030 -7.764 1.00 0.63 N ATOM 1860 CA LYS A 133 13.636 -4.592 -7.907 1.00 0.66 C ATOM 1861 C LYS A 133 13.740 -3.087 -7.714 1.00 0.65 C ATOM 1862 O LYS A 133 14.379 -2.630 -6.777 1.00 0.63 O ATOM 1863 CB LYS A 133 14.205 -4.968 -9.281 1.00 0.74 C ATOM 1864 CG LYS A 133 14.176 -6.458 -9.573 1.00 0.75 C ATOM 1865 CD LYS A 133 15.043 -6.817 -10.774 1.00 0.95 C ATOM 1866 CE LYS A 133 14.503 -6.216 -12.062 1.00 1.21 C ATOM 1867 NZ LYS A 133 15.358 -6.542 -13.234 1.00 1.93 N ATOM 0 H LYS A 133 11.870 -5.490 -8.589 1.00 0.63 H new ATOM 0 HA LYS A 133 14.219 -5.100 -7.139 1.00 0.66 H new ATOM 0 HB2 LYS A 133 13.640 -4.446 -10.053 1.00 0.74 H new ATOM 0 HB3 LYS A 133 15.234 -4.615 -9.346 1.00 0.74 H new ATOM 0 HG2 LYS A 133 14.523 -7.007 -8.697 1.00 0.75 H new ATOM 0 HG3 LYS A 133 13.149 -6.772 -9.759 1.00 0.75 H new ATOM 0 HD2 LYS A 133 16.060 -6.463 -10.606 1.00 0.95 H new ATOM 0 HD3 LYS A 133 15.095 -7.901 -10.873 1.00 0.95 H new ATOM 0 HE2 LYS A 133 13.492 -6.585 -12.238 1.00 1.21 H new ATOM 0 HE3 LYS A 133 14.433 -5.134 -11.955 1.00 1.21 H new ATOM 0 HZ1 LYS A 133 14.952 -6.112 -14.090 1.00 1.93 H new ATOM 0 HZ2 LYS A 133 16.316 -6.168 -13.080 1.00 1.93 H new ATOM 0 HZ3 LYS A 133 15.404 -7.574 -13.354 1.00 1.93 H new ATOM 1881 N MET A 134 13.065 -2.339 -8.584 1.00 0.68 N ATOM 1882 CA MET A 134 13.172 -0.878 -8.651 1.00 0.72 C ATOM 1883 C MET A 134 13.227 -0.218 -7.275 1.00 0.65 C ATOM 1884 O MET A 134 14.157 0.533 -6.983 1.00 0.68 O ATOM 1885 CB MET A 134 12.004 -0.312 -9.464 1.00 0.78 C ATOM 1886 CG MET A 134 11.890 1.205 -9.421 1.00 0.84 C ATOM 1887 SD MET A 134 10.516 1.825 -10.415 1.00 0.97 S ATOM 1888 CE MET A 134 9.137 0.923 -9.702 1.00 1.61 C ATOM 0 H MET A 134 12.421 -2.731 -9.271 1.00 0.68 H new ATOM 0 HA MET A 134 14.117 -0.648 -9.143 1.00 0.72 H new ATOM 0 HB2 MET A 134 12.112 -0.628 -10.502 1.00 0.78 H new ATOM 0 HB3 MET A 134 11.075 -0.745 -9.094 1.00 0.78 H new ATOM 0 HG2 MET A 134 11.761 1.527 -8.388 1.00 0.84 H new ATOM 0 HG3 MET A 134 12.821 1.646 -9.778 1.00 0.84 H new ATOM 0 HE1 MET A 134 8.845 0.115 -10.373 1.00 1.61 H new ATOM 0 HE2 MET A 134 9.434 0.506 -8.739 1.00 1.61 H new ATOM 0 HE3 MET A 134 8.294 1.599 -9.560 1.00 1.61 H new ATOM 1898 N LYS A 135 12.254 -0.509 -6.422 1.00 0.59 N ATOM 1899 CA LYS A 135 12.201 0.127 -5.110 1.00 0.54 C ATOM 1900 C LYS A 135 13.188 -0.505 -4.131 1.00 0.48 C ATOM 1901 O LYS A 135 13.674 0.167 -3.219 1.00 0.46 O ATOM 1902 CB LYS A 135 10.784 0.096 -4.546 1.00 0.54 C ATOM 1903 CG LYS A 135 10.051 1.423 -4.692 1.00 0.65 C ATOM 1904 CD LYS A 135 9.991 1.877 -6.141 1.00 0.76 C ATOM 1905 CE LYS A 135 9.239 3.190 -6.289 1.00 1.05 C ATOM 1906 NZ LYS A 135 9.954 4.325 -5.645 1.00 1.94 N ATOM 0 H LYS A 135 11.501 -1.171 -6.609 1.00 0.59 H new ATOM 0 HA LYS A 135 12.496 1.168 -5.243 1.00 0.54 H new ATOM 0 HB2 LYS A 135 10.215 -0.684 -5.053 1.00 0.54 H new ATOM 0 HB3 LYS A 135 10.826 -0.175 -3.491 1.00 0.54 H new ATOM 0 HG2 LYS A 135 9.039 1.324 -4.300 1.00 0.65 H new ATOM 0 HG3 LYS A 135 10.552 2.183 -4.093 1.00 0.65 H new ATOM 0 HD2 LYS A 135 11.003 1.992 -6.528 1.00 0.76 H new ATOM 0 HD3 LYS A 135 9.505 1.109 -6.743 1.00 0.76 H new ATOM 0 HE2 LYS A 135 9.096 3.407 -7.348 1.00 1.05 H new ATOM 0 HE3 LYS A 135 8.248 3.090 -5.847 1.00 1.05 H new ATOM 0 HZ1 LYS A 135 9.267 5.052 -5.360 1.00 1.94 H new ATOM 0 HZ2 LYS A 135 10.464 3.983 -4.806 1.00 1.94 H new ATOM 0 HZ3 LYS A 135 10.632 4.735 -6.318 1.00 1.94 H new ATOM 1920 N TYR A 136 13.496 -1.784 -4.318 1.00 0.48 N ATOM 1921 CA TYR A 136 14.519 -2.436 -3.507 1.00 0.46 C ATOM 1922 C TYR A 136 15.859 -1.747 -3.702 1.00 0.47 C ATOM 1923 O TYR A 136 16.504 -1.345 -2.740 1.00 0.48 O ATOM 1924 CB TYR A 136 14.654 -3.922 -3.857 1.00 0.48 C ATOM 1925 CG TYR A 136 15.889 -4.568 -3.260 1.00 0.48 C ATOM 1926 CD1 TYR A 136 15.982 -4.820 -1.896 1.00 0.48 C ATOM 1927 CD2 TYR A 136 16.970 -4.912 -4.064 1.00 0.54 C ATOM 1928 CE1 TYR A 136 17.117 -5.394 -1.352 1.00 0.51 C ATOM 1929 CE2 TYR A 136 18.106 -5.489 -3.528 1.00 0.57 C ATOM 1930 CZ TYR A 136 18.176 -5.726 -2.172 1.00 0.54 C ATOM 1931 OH TYR A 136 19.308 -6.293 -1.633 1.00 0.59 O ATOM 0 H TYR A 136 13.058 -2.385 -5.016 1.00 0.48 H new ATOM 0 HA TYR A 136 14.212 -2.357 -2.464 1.00 0.46 H new ATOM 0 HB2 TYR A 136 13.769 -4.453 -3.506 1.00 0.48 H new ATOM 0 HB3 TYR A 136 14.683 -4.032 -4.941 1.00 0.48 H new ATOM 0 HD1 TYR A 136 15.155 -4.564 -1.251 1.00 0.48 H new ATOM 0 HD2 TYR A 136 16.921 -4.725 -5.127 1.00 0.54 H new ATOM 0 HE1 TYR A 136 17.174 -5.582 -0.290 1.00 0.51 H new ATOM 0 HE2 TYR A 136 18.935 -5.753 -4.169 1.00 0.57 H new ATOM 0 HH TYR A 136 19.958 -6.467 -2.346 1.00 0.59 H new ATOM 1941 N GLN A 137 16.256 -1.593 -4.959 1.00 0.49 N ATOM 1942 CA GLN A 137 17.560 -1.039 -5.292 1.00 0.51 C ATOM 1943 C GLN A 137 17.600 0.432 -4.925 1.00 0.53 C ATOM 1944 O GLN A 137 18.635 0.961 -4.534 1.00 0.57 O ATOM 1945 CB GLN A 137 17.850 -1.214 -6.785 1.00 0.55 C ATOM 1946 CG GLN A 137 17.059 -2.346 -7.425 1.00 0.61 C ATOM 1947 CD GLN A 137 17.604 -2.823 -8.751 1.00 1.17 C ATOM 1948 OE1 GLN A 137 17.330 -2.237 -9.799 1.00 2.09 O ATOM 1949 NE2 GLN A 137 18.311 -3.939 -8.722 1.00 1.24 N ATOM 0 H GLN A 137 15.689 -1.846 -5.768 1.00 0.49 H new ATOM 0 HA GLN A 137 18.324 -1.572 -4.726 1.00 0.51 H new ATOM 0 HB2 GLN A 137 17.622 -0.283 -7.304 1.00 0.55 H new ATOM 0 HB3 GLN A 137 18.915 -1.402 -6.921 1.00 0.55 H new ATOM 0 HG2 GLN A 137 17.032 -3.189 -6.734 1.00 0.61 H new ATOM 0 HG3 GLN A 137 16.030 -2.017 -7.567 1.00 0.61 H new ATOM 0 HE21 GLN A 137 18.514 -4.391 -7.830 1.00 1.24 H new ATOM 0 HE22 GLN A 137 18.653 -4.349 -9.591 1.00 1.24 H new ATOM 1958 N GLU A 138 16.452 1.071 -5.053 1.00 0.53 N ATOM 1959 CA GLU A 138 16.282 2.468 -4.695 1.00 0.57 C ATOM 1960 C GLU A 138 16.511 2.692 -3.198 1.00 0.54 C ATOM 1961 O GLU A 138 17.293 3.562 -2.802 1.00 0.60 O ATOM 1962 CB GLU A 138 14.879 2.897 -5.106 1.00 0.60 C ATOM 1963 CG GLU A 138 14.372 4.147 -4.411 1.00 0.69 C ATOM 1964 CD GLU A 138 12.937 4.463 -4.774 1.00 1.33 C ATOM 1965 OE1 GLU A 138 12.708 5.094 -5.825 1.00 1.46 O ATOM 1966 OE2 GLU A 138 12.030 4.095 -4.000 1.00 2.04 O ATOM 0 H GLU A 138 15.604 0.632 -5.411 1.00 0.53 H new ATOM 0 HA GLU A 138 17.023 3.073 -5.218 1.00 0.57 H new ATOM 0 HB2 GLU A 138 14.865 3.065 -6.183 1.00 0.60 H new ATOM 0 HB3 GLU A 138 14.189 2.078 -4.902 1.00 0.60 H new ATOM 0 HG2 GLU A 138 14.452 4.018 -3.332 1.00 0.69 H new ATOM 0 HG3 GLU A 138 15.007 4.992 -4.678 1.00 0.69 H new ATOM 1973 N CYS A 139 15.843 1.910 -2.362 1.00 0.47 N ATOM 1974 CA CYS A 139 16.041 2.025 -0.926 1.00 0.44 C ATOM 1975 C CYS A 139 17.440 1.541 -0.566 1.00 0.43 C ATOM 1976 O CYS A 139 18.114 2.121 0.287 1.00 0.42 O ATOM 1977 CB CYS A 139 14.993 1.215 -0.167 1.00 0.42 C ATOM 1978 SG CYS A 139 14.755 1.735 1.543 1.00 1.06 S ATOM 0 H CYS A 139 15.169 1.200 -2.648 1.00 0.47 H new ATOM 0 HA CYS A 139 15.933 3.071 -0.639 1.00 0.44 H new ATOM 0 HB2 CYS A 139 14.041 1.289 -0.693 1.00 0.42 H new ATOM 0 HB3 CYS A 139 15.283 0.164 -0.179 1.00 0.42 H new ATOM 0 HG CYS A 139 15.709 1.250 2.281 1.00 1.06 H new ATOM 1984 N ASN A 140 17.873 0.486 -1.250 1.00 0.45 N ATOM 1985 CA ASN A 140 19.183 -0.105 -1.022 1.00 0.48 C ATOM 1986 C ASN A 140 20.285 0.908 -1.274 1.00 0.52 C ATOM 1987 O ASN A 140 21.124 1.138 -0.409 1.00 0.54 O ATOM 1988 CB ASN A 140 19.382 -1.330 -1.918 1.00 0.52 C ATOM 1989 CG ASN A 140 20.712 -2.011 -1.677 1.00 0.60 C ATOM 1990 OD1 ASN A 140 21.706 -1.716 -2.340 1.00 1.22 O ATOM 1991 ND2 ASN A 140 20.736 -2.924 -0.722 1.00 1.13 N ATOM 0 H ASN A 140 17.327 0.020 -1.974 1.00 0.45 H new ATOM 0 HA ASN A 140 19.234 -0.419 0.021 1.00 0.48 H new ATOM 0 HB2 ASN A 140 18.575 -2.041 -1.741 1.00 0.52 H new ATOM 0 HB3 ASN A 140 19.316 -1.027 -2.963 1.00 0.52 H new ATOM 0 HD21 ASN A 140 21.603 -3.417 -0.509 1.00 1.13 H new ATOM 0 HD22 ASN A 140 19.887 -3.136 -0.198 1.00 1.13 H new ATOM 1998 N LYS A 141 20.264 1.533 -2.449 1.00 0.56 N ATOM 1999 CA LYS A 141 21.287 2.505 -2.810 1.00 0.63 C ATOM 2000 C LYS A 141 21.337 3.639 -1.798 1.00 0.60 C ATOM 2001 O LYS A 141 22.411 4.137 -1.483 1.00 0.65 O ATOM 2002 CB LYS A 141 21.052 3.085 -4.207 1.00 0.70 C ATOM 2003 CG LYS A 141 19.748 3.846 -4.341 1.00 0.69 C ATOM 2004 CD LYS A 141 19.774 4.798 -5.517 1.00 0.81 C ATOM 2005 CE LYS A 141 18.416 5.448 -5.732 1.00 0.85 C ATOM 2006 NZ LYS A 141 18.431 6.409 -6.863 1.00 1.15 N ATOM 0 H LYS A 141 19.552 1.383 -3.163 1.00 0.56 H new ATOM 0 HA LYS A 141 22.240 1.976 -2.811 1.00 0.63 H new ATOM 0 HB2 LYS A 141 21.878 3.751 -4.458 1.00 0.70 H new ATOM 0 HB3 LYS A 141 21.065 2.273 -4.934 1.00 0.70 H new ATOM 0 HG2 LYS A 141 18.926 3.141 -4.462 1.00 0.69 H new ATOM 0 HG3 LYS A 141 19.557 4.405 -3.425 1.00 0.69 H new ATOM 0 HD2 LYS A 141 20.526 5.569 -5.347 1.00 0.81 H new ATOM 0 HD3 LYS A 141 20.068 4.259 -6.418 1.00 0.81 H new ATOM 0 HE2 LYS A 141 17.671 4.676 -5.923 1.00 0.85 H new ATOM 0 HE3 LYS A 141 18.114 5.965 -4.821 1.00 0.85 H new ATOM 0 HZ1 LYS A 141 17.486 6.829 -6.974 1.00 1.15 H new ATOM 0 HZ2 LYS A 141 19.123 7.161 -6.671 1.00 1.15 H new ATOM 0 HZ3 LYS A 141 18.694 5.912 -7.738 1.00 1.15 H new ATOM 2020 N ILE A 142 20.179 4.040 -1.280 1.00 0.54 N ATOM 2021 CA ILE A 142 20.127 5.119 -0.308 1.00 0.52 C ATOM 2022 C ILE A 142 20.735 4.694 1.026 1.00 0.49 C ATOM 2023 O ILE A 142 21.359 5.498 1.722 1.00 0.51 O ATOM 2024 CB ILE A 142 18.701 5.667 -0.133 1.00 0.50 C ATOM 2025 CG1 ILE A 142 18.315 6.439 -1.397 1.00 0.58 C ATOM 2026 CG2 ILE A 142 18.613 6.559 1.094 1.00 0.49 C ATOM 2027 CD1 ILE A 142 16.986 7.157 -1.306 1.00 0.60 C ATOM 0 H ILE A 142 19.273 3.636 -1.517 1.00 0.54 H new ATOM 0 HA ILE A 142 20.733 5.936 -0.700 1.00 0.52 H new ATOM 0 HB ILE A 142 18.007 4.840 0.016 1.00 0.50 H new ATOM 0 HG12 ILE A 142 19.095 7.169 -1.615 1.00 0.58 H new ATOM 0 HG13 ILE A 142 18.283 5.745 -2.237 1.00 0.58 H new ATOM 0 HG21 ILE A 142 17.595 6.935 1.198 1.00 0.49 H new ATOM 0 HG22 ILE A 142 18.880 5.985 1.981 1.00 0.49 H new ATOM 0 HG23 ILE A 142 19.301 7.398 0.984 1.00 0.49 H new ATOM 0 HD11 ILE A 142 16.789 7.678 -2.243 1.00 0.60 H new ATOM 0 HD12 ILE A 142 16.193 6.433 -1.120 1.00 0.60 H new ATOM 0 HD13 ILE A 142 17.017 7.878 -0.489 1.00 0.60 H new ATOM 2039 N VAL A 143 20.596 3.423 1.360 1.00 0.46 N ATOM 2040 CA VAL A 143 21.284 2.880 2.519 1.00 0.47 C ATOM 2041 C VAL A 143 22.799 2.972 2.311 1.00 0.56 C ATOM 2042 O VAL A 143 23.564 3.181 3.254 1.00 0.59 O ATOM 2043 CB VAL A 143 20.882 1.411 2.778 1.00 0.47 C ATOM 2044 CG1 VAL A 143 21.716 0.816 3.899 1.00 0.55 C ATOM 2045 CG2 VAL A 143 19.400 1.314 3.110 1.00 0.41 C ATOM 0 H VAL A 143 20.019 2.753 0.851 1.00 0.46 H new ATOM 0 HA VAL A 143 20.994 3.468 3.390 1.00 0.47 H new ATOM 0 HB VAL A 143 21.072 0.840 1.869 1.00 0.47 H new ATOM 0 HG11 VAL A 143 21.417 -0.219 4.065 1.00 0.55 H new ATOM 0 HG12 VAL A 143 22.770 0.849 3.625 1.00 0.55 H new ATOM 0 HG13 VAL A 143 21.560 1.390 4.812 1.00 0.55 H new ATOM 0 HG21 VAL A 143 19.135 0.272 3.289 1.00 0.41 H new ATOM 0 HG22 VAL A 143 19.188 1.901 4.003 1.00 0.41 H new ATOM 0 HG23 VAL A 143 18.814 1.699 2.275 1.00 0.41 H new ATOM 2055 N LYS A 144 23.219 2.848 1.057 1.00 0.63 N ATOM 2056 CA LYS A 144 24.633 2.922 0.704 1.00 0.74 C ATOM 2057 C LYS A 144 25.088 4.373 0.636 1.00 0.76 C ATOM 2058 O LYS A 144 26.279 4.667 0.754 1.00 0.85 O ATOM 2059 CB LYS A 144 24.879 2.239 -0.642 1.00 0.84 C ATOM 2060 CG LYS A 144 24.034 0.997 -0.834 1.00 0.83 C ATOM 2061 CD LYS A 144 24.224 0.377 -2.209 1.00 1.10 C ATOM 2062 CE LYS A 144 25.549 -0.348 -2.324 1.00 1.57 C ATOM 2063 NZ LYS A 144 25.797 -0.827 -3.710 1.00 2.23 N ATOM 0 H LYS A 144 22.597 2.695 0.263 1.00 0.63 H new ATOM 0 HA LYS A 144 25.207 2.408 1.474 1.00 0.74 H new ATOM 0 HB2 LYS A 144 24.668 2.944 -1.446 1.00 0.84 H new ATOM 0 HB3 LYS A 144 25.933 1.972 -0.721 1.00 0.84 H new ATOM 0 HG2 LYS A 144 24.290 0.264 -0.069 1.00 0.83 H new ATOM 0 HG3 LYS A 144 22.983 1.250 -0.694 1.00 0.83 H new ATOM 0 HD2 LYS A 144 23.410 -0.320 -2.408 1.00 1.10 H new ATOM 0 HD3 LYS A 144 24.169 1.156 -2.969 1.00 1.10 H new ATOM 0 HE2 LYS A 144 26.356 0.319 -2.020 1.00 1.57 H new ATOM 0 HE3 LYS A 144 25.560 -1.196 -1.639 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 26.713 -1.318 -3.749 1.00 2.23 H new ATOM 0 HZ2 LYS A 144 25.040 -1.483 -3.991 1.00 2.23 H new ATOM 0 HZ3 LYS A 144 25.811 -0.016 -4.360 1.00 2.23 H new ATOM 2077 N GLN A 145 24.134 5.278 0.428 1.00 0.70 N ATOM 2078 CA GLN A 145 24.411 6.707 0.493 1.00 0.74 C ATOM 2079 C GLN A 145 24.865 7.046 1.890 1.00 0.75 C ATOM 2080 O GLN A 145 25.723 7.900 2.103 1.00 0.84 O ATOM 2081 CB GLN A 145 23.168 7.523 0.166 1.00 0.71 C ATOM 2082 CG GLN A 145 22.480 7.052 -1.083 1.00 0.72 C ATOM 2083 CD GLN A 145 23.219 7.421 -2.347 1.00 0.94 C ATOM 2084 OE1 GLN A 145 23.909 8.441 -2.408 1.00 1.36 O ATOM 2085 NE2 GLN A 145 23.077 6.592 -3.362 1.00 1.27 N ATOM 0 H GLN A 145 23.164 5.045 0.213 1.00 0.70 H new ATOM 0 HA GLN A 145 25.183 6.948 -0.238 1.00 0.74 H new ATOM 0 HB2 GLN A 145 22.472 7.468 1.003 1.00 0.71 H new ATOM 0 HB3 GLN A 145 23.446 8.571 0.050 1.00 0.71 H new ATOM 0 HG2 GLN A 145 22.366 5.969 -1.040 1.00 0.72 H new ATOM 0 HG3 GLN A 145 21.477 7.477 -1.119 1.00 0.72 H new ATOM 0 HE21 GLN A 145 22.495 5.760 -3.263 1.00 1.27 H new ATOM 0 HE22 GLN A 145 23.549 6.782 -4.246 1.00 1.27 H new ATOM 2094 N LYS A 146 24.259 6.357 2.835 1.00 0.67 N ATOM 2095 CA LYS A 146 24.599 6.511 4.227 1.00 0.70 C ATOM 2096 C LYS A 146 25.869 5.735 4.561 1.00 0.84 C ATOM 2097 O LYS A 146 26.918 6.321 4.837 1.00 0.94 O ATOM 2098 CB LYS A 146 23.445 6.030 5.105 1.00 0.58 C ATOM 2099 CG LYS A 146 22.178 6.856 4.950 1.00 0.58 C ATOM 2100 CD LYS A 146 21.125 6.462 5.973 1.00 0.64 C ATOM 2101 CE LYS A 146 21.553 6.838 7.383 1.00 1.40 C ATOM 2102 NZ LYS A 146 20.563 6.404 8.404 1.00 1.73 N ATOM 0 H LYS A 146 23.520 5.677 2.656 1.00 0.67 H new ATOM 0 HA LYS A 146 24.779 7.568 4.423 1.00 0.70 H new ATOM 0 HB2 LYS A 146 23.223 4.991 4.862 1.00 0.58 H new ATOM 0 HB3 LYS A 146 23.759 6.054 6.149 1.00 0.58 H new ATOM 0 HG2 LYS A 146 22.417 7.914 5.061 1.00 0.58 H new ATOM 0 HG3 LYS A 146 21.777 6.724 3.945 1.00 0.58 H new ATOM 0 HD2 LYS A 146 20.182 6.953 5.734 1.00 0.64 H new ATOM 0 HD3 LYS A 146 20.947 5.388 5.919 1.00 0.64 H new ATOM 0 HE2 LYS A 146 22.520 6.384 7.601 1.00 1.40 H new ATOM 0 HE3 LYS A 146 21.687 7.918 7.445 1.00 1.40 H new ATOM 0 HZ1 LYS A 146 20.896 6.681 9.350 1.00 1.73 H new ATOM 0 HZ2 LYS A 146 19.646 6.857 8.213 1.00 1.73 H new ATOM 0 HZ3 LYS A 146 20.454 5.371 8.364 1.00 1.73 H new