USER MOD reduce.3.24.130724 H: found=0, std=0, add=1233, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1227 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 110 SER OG : rot 85:sc= 0.194 USER MOD Set 1.2: A 124 SER OG : rot 73:sc= 0.695 USER MOD Set 2.1: A 99 ASN : amide:sc= -0.599 X(o=-0.6,f=-0.64) USER MOD Set 2.2: A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -149:sc= 0.477 (180deg=0.106) USER MOD Single : A 3 SER OG : rot 180:sc= 0.145 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.0553 X(o=-0.055,f=0) USER MOD Single : A 13 THR OG1 : rot -6:sc= 0.782 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0664 USER MOD Single : A 21 ASN : amide:sc= -0.221 K(o=-0.22,f=-4.6!) USER MOD Single : A 24 ASN : amide:sc= 0.599 K(o=0.6,f=-5.8!) USER MOD Single : A 25 SER OG : rot -46:sc= 0.244 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot -89:sc= 1.18 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -54:sc= 0.734 USER MOD Single : A 48 GLN : amide:sc=-0.00828 X(o=-0.0083,f=-0.15) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.046) USER MOD Single : A 67 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.14) USER MOD Single : A 72 ASN : amide:sc= -0.708 K(o=-0.71,f=-2!) USER MOD Single : A 74 ASN : amide:sc= -0.0153 K(o=-0.015,f=-1.2) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0017 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.807 K(o=-0.81,f=-4.2!) USER MOD Single : A 89 TYR OH : rot -148:sc= 0.6 USER MOD Single : A 91 SER OG : rot 71:sc= 0.34 USER MOD Single : A 94 LYS NZ :NH3+ 159:sc= -0.572 (180deg=-1.64) USER MOD Single : A 97 ASN : amide:sc= -0.347 K(o=-0.35,f=-3.1!) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= -0.132 USER MOD Single : A 111 THR OG1 : rot -122:sc= 0.773 USER MOD Single : A 115 SER OG : rot -34:sc= 0.0207 USER MOD Single : A 117 ASN : amide:sc= -0.111 K(o=-0.11,f=-3.1) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.3!) USER MOD Single : A 127 HIS : no HD1:sc= -0.295 X(o=-0.29,f=0.029) USER MOD Single : A 130 THR OG1 : rot 71:sc= 0.785 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot -17:sc= 0.00834 USER MOD Single : A 142 TYR OH : rot -30:sc= -0.0816 USER MOD Single : A 143 CYS SG : rot -172:sc= 0.753 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 151 THR OG1 : rot 180:sc= 0.00496 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.189 -11.000 10.507 1.00 2.79 N ATOM 2 CA ALA A 1 -11.740 -11.223 9.123 1.00 2.66 C ATOM 3 C ALA A 1 -12.844 -10.767 8.184 1.00 2.12 C ATOM 4 O ALA A 1 -14.003 -11.076 8.450 1.00 2.42 O ATOM 5 CB ALA A 1 -11.394 -12.690 8.865 1.00 3.46 C ATOM 0 H1 ALA A 1 -11.367 -10.791 11.109 1.00 2.79 H new ATOM 0 H2 ALA A 1 -12.850 -10.197 10.533 1.00 2.79 H new ATOM 0 H3 ALA A 1 -12.668 -11.854 10.858 1.00 2.79 H new ATOM 0 HA ALA A 1 -10.830 -10.649 8.950 1.00 2.66 H new ATOM 0 HB1 ALA A 1 -11.067 -12.811 7.832 1.00 3.46 H new ATOM 0 HB2 ALA A 1 -10.593 -12.999 9.537 1.00 3.46 H new ATOM 0 HB3 ALA A 1 -12.274 -13.308 9.042 1.00 3.46 H new ATOM 11 N PRO A 2 -12.509 -9.972 7.164 1.00 2.37 N ATOM 12 CA PRO A 2 -13.469 -9.320 6.293 1.00 2.61 C ATOM 13 C PRO A 2 -13.619 -10.106 4.980 1.00 2.16 C ATOM 14 O PRO A 2 -13.447 -11.323 4.974 1.00 2.68 O ATOM 15 CB PRO A 2 -12.832 -7.947 6.115 1.00 3.91 C ATOM 16 CG PRO A 2 -11.348 -8.278 5.954 1.00 4.25 C ATOM 17 CD PRO A 2 -11.173 -9.442 6.932 1.00 3.46 C ATOM 0 HA PRO A 2 -14.487 -9.258 6.677 1.00 2.61 H new ATOM 0 HB2 PRO A 2 -13.227 -7.428 5.242 1.00 3.91 H new ATOM 0 HB3 PRO A 2 -13.011 -7.304 6.976 1.00 3.91 H new ATOM 0 HG2 PRO A 2 -11.103 -8.564 4.931 1.00 4.25 H new ATOM 0 HG3 PRO A 2 -10.711 -7.431 6.210 1.00 4.25 H new ATOM 0 HD2 PRO A 2 -10.516 -10.206 6.516 1.00 3.46 H new ATOM 0 HD3 PRO A 2 -10.719 -9.104 7.864 1.00 3.46 H new ATOM 25 N SER A 3 -13.933 -9.433 3.867 1.00 1.48 N ATOM 26 CA SER A 3 -13.910 -10.012 2.529 1.00 1.47 C ATOM 27 C SER A 3 -12.844 -9.267 1.727 1.00 1.34 C ATOM 28 O SER A 3 -12.056 -8.531 2.316 1.00 1.46 O ATOM 29 CB SER A 3 -15.305 -9.896 1.907 1.00 1.76 C ATOM 30 OG SER A 3 -15.378 -10.634 0.702 1.00 2.77 O ATOM 0 H SER A 3 -14.215 -8.453 3.877 1.00 1.48 H new ATOM 0 HA SER A 3 -13.657 -11.072 2.544 1.00 1.47 H new ATOM 0 HB2 SER A 3 -16.054 -10.262 2.610 1.00 1.76 H new ATOM 0 HB3 SER A 3 -15.536 -8.849 1.712 1.00 1.76 H new ATOM 0 HG SER A 3 -16.277 -10.549 0.320 1.00 2.77 H new ATOM 36 N TYR A 4 -12.791 -9.462 0.405 1.00 1.19 N ATOM 37 CA TYR A 4 -11.798 -8.878 -0.475 1.00 1.13 C ATOM 38 C TYR A 4 -12.523 -8.349 -1.703 1.00 1.08 C ATOM 39 O TYR A 4 -13.368 -9.055 -2.254 1.00 1.19 O ATOM 40 CB TYR A 4 -10.731 -9.910 -0.869 1.00 1.26 C ATOM 41 CG TYR A 4 -11.014 -11.323 -0.410 1.00 1.32 C ATOM 42 CD1 TYR A 4 -12.150 -11.999 -0.885 1.00 2.01 C ATOM 43 CD2 TYR A 4 -10.195 -11.925 0.555 1.00 2.26 C ATOM 44 CE1 TYR A 4 -12.464 -13.280 -0.412 1.00 2.62 C ATOM 45 CE2 TYR A 4 -10.511 -13.199 1.049 1.00 2.49 C ATOM 46 CZ TYR A 4 -11.638 -13.896 0.557 1.00 2.38 C ATOM 47 OH TYR A 4 -11.917 -15.145 1.025 1.00 3.05 O ATOM 0 H TYR A 4 -13.463 -10.050 -0.088 1.00 1.19 H new ATOM 0 HA TYR A 4 -11.277 -8.067 0.035 1.00 1.13 H new ATOM 0 HB2 TYR A 4 -10.629 -9.909 -1.954 1.00 1.26 H new ATOM 0 HB3 TYR A 4 -9.772 -9.595 -0.458 1.00 1.26 H new ATOM 0 HD1 TYR A 4 -12.786 -11.528 -1.620 1.00 2.01 H new ATOM 0 HD2 TYR A 4 -9.320 -11.407 0.919 1.00 2.26 H new ATOM 0 HE1 TYR A 4 -13.335 -13.796 -0.787 1.00 2.62 H new ATOM 0 HE2 TYR A 4 -9.890 -13.650 1.809 1.00 2.49 H new ATOM 0 HH TYR A 4 -11.240 -15.406 1.684 1.00 3.05 H new ATOM 57 N HIS A 5 -12.187 -7.141 -2.158 1.00 1.02 N ATOM 58 CA HIS A 5 -12.830 -6.540 -3.318 1.00 1.00 C ATOM 59 C HIS A 5 -11.739 -6.031 -4.254 1.00 1.02 C ATOM 60 O HIS A 5 -10.745 -5.479 -3.789 1.00 1.31 O ATOM 61 CB HIS A 5 -13.768 -5.413 -2.858 1.00 1.04 C ATOM 62 CG HIS A 5 -14.940 -5.164 -3.778 1.00 1.09 C ATOM 63 ND1 HIS A 5 -16.256 -5.092 -3.378 1.00 1.33 N ATOM 64 CD2 HIS A 5 -14.913 -4.974 -5.136 1.00 1.03 C ATOM 65 CE1 HIS A 5 -17.003 -4.873 -4.474 1.00 1.37 C ATOM 66 NE2 HIS A 5 -16.230 -4.797 -5.569 1.00 1.17 N ATOM 0 H HIS A 5 -11.466 -6.558 -1.733 1.00 1.02 H new ATOM 0 HA HIS A 5 -13.438 -7.268 -3.855 1.00 1.00 H new ATOM 0 HB2 HIS A 5 -14.146 -5.654 -1.864 1.00 1.04 H new ATOM 0 HB3 HIS A 5 -13.192 -4.492 -2.765 1.00 1.04 H new ATOM 0 HD2 HIS A 5 -14.031 -4.963 -5.760 1.00 1.03 H new ATOM 0 HE1 HIS A 5 -18.078 -4.772 -4.474 1.00 1.37 H new ATOM 0 HE2 HIS A 5 -16.542 -4.641 -6.527 1.00 1.17 H new ATOM 74 N VAL A 6 -11.914 -6.220 -5.563 1.00 0.80 N ATOM 75 CA VAL A 6 -10.935 -5.834 -6.567 1.00 0.93 C ATOM 76 C VAL A 6 -11.540 -4.738 -7.441 1.00 0.89 C ATOM 77 O VAL A 6 -12.639 -4.905 -7.981 1.00 0.89 O ATOM 78 CB VAL A 6 -10.513 -7.067 -7.370 1.00 1.04 C ATOM 79 CG1 VAL A 6 -9.488 -6.716 -8.444 1.00 1.50 C ATOM 80 CG2 VAL A 6 -9.880 -8.116 -6.454 1.00 1.99 C ATOM 0 H VAL A 6 -12.751 -6.651 -5.955 1.00 0.80 H new ATOM 0 HA VAL A 6 -10.033 -5.433 -6.105 1.00 0.93 H new ATOM 0 HB VAL A 6 -11.417 -7.457 -7.838 1.00 1.04 H new ATOM 0 HG11 VAL A 6 -9.213 -7.617 -8.993 1.00 1.50 H new ATOM 0 HG12 VAL A 6 -9.917 -5.988 -9.133 1.00 1.50 H new ATOM 0 HG13 VAL A 6 -8.600 -6.292 -7.975 1.00 1.50 H new ATOM 0 HG21 VAL A 6 -9.587 -8.985 -7.044 1.00 1.99 H new ATOM 0 HG22 VAL A 6 -9.000 -7.693 -5.969 1.00 1.99 H new ATOM 0 HG23 VAL A 6 -10.601 -8.419 -5.695 1.00 1.99 H new ATOM 90 N VAL A 7 -10.855 -3.597 -7.540 1.00 0.87 N ATOM 91 CA VAL A 7 -11.442 -2.381 -8.096 1.00 0.82 C ATOM 92 C VAL A 7 -10.456 -1.725 -9.057 1.00 0.67 C ATOM 93 O VAL A 7 -9.394 -1.259 -8.662 1.00 0.64 O ATOM 94 CB VAL A 7 -11.841 -1.418 -6.964 1.00 1.08 C ATOM 95 CG1 VAL A 7 -12.599 -0.211 -7.529 1.00 1.37 C ATOM 96 CG2 VAL A 7 -12.739 -2.104 -5.926 1.00 2.21 C ATOM 0 H VAL A 7 -9.886 -3.492 -7.239 1.00 0.87 H new ATOM 0 HA VAL A 7 -12.344 -2.636 -8.652 1.00 0.82 H new ATOM 0 HB VAL A 7 -10.917 -1.096 -6.483 1.00 1.08 H new ATOM 0 HG11 VAL A 7 -12.874 0.460 -6.715 1.00 1.37 H new ATOM 0 HG12 VAL A 7 -11.962 0.319 -8.237 1.00 1.37 H new ATOM 0 HG13 VAL A 7 -13.501 -0.553 -8.037 1.00 1.37 H new ATOM 0 HG21 VAL A 7 -12.999 -1.392 -5.143 1.00 2.21 H new ATOM 0 HG22 VAL A 7 -13.648 -2.460 -6.410 1.00 2.21 H new ATOM 0 HG23 VAL A 7 -12.208 -2.948 -5.487 1.00 2.21 H new ATOM 106 N ARG A 8 -10.815 -1.627 -10.335 1.00 0.71 N ATOM 107 CA ARG A 8 -9.855 -1.214 -11.345 1.00 0.75 C ATOM 108 C ARG A 8 -9.831 0.301 -11.428 1.00 0.75 C ATOM 109 O ARG A 8 -10.656 0.914 -12.100 1.00 0.84 O ATOM 110 CB ARG A 8 -10.172 -1.886 -12.682 1.00 0.90 C ATOM 111 CG ARG A 8 -11.531 -1.498 -13.273 1.00 1.78 C ATOM 112 CD ARG A 8 -12.292 -2.759 -13.686 1.00 2.50 C ATOM 113 NE ARG A 8 -12.754 -3.493 -12.493 1.00 3.98 N ATOM 114 CZ ARG A 8 -13.870 -3.218 -11.801 1.00 4.97 C ATOM 115 NH1 ARG A 8 -14.153 -3.891 -10.684 1.00 6.56 N ATOM 116 NH2 ARG A 8 -14.689 -2.248 -12.216 1.00 4.95 N ATOM 0 H ARG A 8 -11.751 -1.826 -10.688 1.00 0.71 H new ATOM 0 HA ARG A 8 -8.851 -1.538 -11.070 1.00 0.75 H new ATOM 0 HB2 ARG A 8 -9.391 -1.631 -13.398 1.00 0.90 H new ATOM 0 HB3 ARG A 8 -10.142 -2.967 -12.549 1.00 0.90 H new ATOM 0 HG2 ARG A 8 -12.110 -0.936 -12.540 1.00 1.78 H new ATOM 0 HG3 ARG A 8 -11.391 -0.847 -14.136 1.00 1.78 H new ATOM 0 HD2 ARG A 8 -13.145 -2.489 -14.308 1.00 2.50 H new ATOM 0 HD3 ARG A 8 -11.648 -3.400 -14.288 1.00 2.50 H new ATOM 0 HE ARG A 8 -12.180 -4.271 -12.168 1.00 3.98 H new ATOM 0 HH11 ARG A 8 -13.519 -4.618 -10.353 1.00 6.56 H new ATOM 0 HH12 ARG A 8 -15.003 -3.678 -10.162 1.00 6.56 H new ATOM 0 HH21 ARG A 8 -14.466 -1.717 -13.058 1.00 4.95 H new ATOM 0 HH22 ARG A 8 -15.538 -2.038 -11.691 1.00 4.95 H new ATOM 130 N GLY A 9 -8.884 0.905 -10.724 1.00 0.78 N ATOM 131 CA GLY A 9 -8.814 2.344 -10.605 1.00 0.82 C ATOM 132 C GLY A 9 -7.369 2.801 -10.550 1.00 0.66 C ATOM 133 O GLY A 9 -6.470 2.163 -11.093 1.00 0.75 O ATOM 0 H GLY A 9 -8.148 0.408 -10.223 1.00 0.78 H new ATOM 0 HA2 GLY A 9 -9.317 2.810 -11.452 1.00 0.82 H new ATOM 0 HA3 GLY A 9 -9.338 2.667 -9.706 1.00 0.82 H new ATOM 137 N ASP A 10 -7.172 3.938 -9.898 1.00 0.72 N ATOM 138 CA ASP A 10 -5.920 4.673 -9.826 1.00 0.57 C ATOM 139 C ASP A 10 -5.814 5.244 -8.418 1.00 0.48 C ATOM 140 O ASP A 10 -6.843 5.431 -7.765 1.00 0.46 O ATOM 141 CB ASP A 10 -5.937 5.808 -10.858 1.00 0.69 C ATOM 142 CG ASP A 10 -4.551 6.409 -11.051 1.00 1.40 C ATOM 143 OD1 ASP A 10 -3.943 6.121 -12.106 1.00 2.16 O ATOM 144 OD2 ASP A 10 -4.117 7.126 -10.122 1.00 2.70 O ATOM 0 H ASP A 10 -7.921 4.395 -9.378 1.00 0.72 H new ATOM 0 HA ASP A 10 -5.069 4.027 -10.040 1.00 0.57 H new ATOM 0 HB2 ASP A 10 -6.306 5.429 -11.811 1.00 0.69 H new ATOM 0 HB3 ASP A 10 -6.630 6.585 -10.534 1.00 0.69 H new ATOM 149 N ILE A 11 -4.612 5.568 -7.948 1.00 0.48 N ATOM 150 CA ILE A 11 -4.412 6.127 -6.618 1.00 0.49 C ATOM 151 C ILE A 11 -5.238 7.397 -6.422 1.00 0.45 C ATOM 152 O ILE A 11 -5.826 7.644 -5.374 1.00 0.46 O ATOM 153 CB ILE A 11 -2.900 6.342 -6.380 1.00 0.65 C ATOM 154 CG1 ILE A 11 -2.567 6.539 -4.899 1.00 2.10 C ATOM 155 CG2 ILE A 11 -2.318 7.528 -7.162 1.00 2.13 C ATOM 156 CD1 ILE A 11 -3.177 5.408 -4.088 1.00 3.19 C ATOM 0 H ILE A 11 -3.750 5.449 -8.481 1.00 0.48 H new ATOM 0 HA ILE A 11 -4.771 5.426 -5.864 1.00 0.49 H new ATOM 0 HB ILE A 11 -2.440 5.424 -6.746 1.00 0.65 H new ATOM 0 HG12 ILE A 11 -1.486 6.560 -4.758 1.00 2.10 H new ATOM 0 HG13 ILE A 11 -2.953 7.498 -4.553 1.00 2.10 H new ATOM 0 HG21 ILE A 11 -1.253 7.619 -6.946 1.00 2.13 H new ATOM 0 HG22 ILE A 11 -2.459 7.364 -8.230 1.00 2.13 H new ATOM 0 HG23 ILE A 11 -2.828 8.445 -6.865 1.00 2.13 H new ATOM 0 HD11 ILE A 11 -2.940 5.548 -3.033 1.00 3.19 H new ATOM 0 HD12 ILE A 11 -4.259 5.408 -4.220 1.00 3.19 H new ATOM 0 HD13 ILE A 11 -2.770 4.456 -4.428 1.00 3.19 H new ATOM 168 N ALA A 12 -5.313 8.180 -7.488 1.00 0.54 N ATOM 169 CA ALA A 12 -5.961 9.480 -7.534 1.00 0.65 C ATOM 170 C ALA A 12 -7.484 9.356 -7.634 1.00 0.67 C ATOM 171 O ALA A 12 -8.177 10.368 -7.729 1.00 0.87 O ATOM 172 CB ALA A 12 -5.404 10.275 -8.719 1.00 0.79 C ATOM 0 H ALA A 12 -4.905 7.913 -8.384 1.00 0.54 H new ATOM 0 HA ALA A 12 -5.748 10.006 -6.604 1.00 0.65 H new ATOM 0 HB1 ALA A 12 -5.886 11.252 -8.760 1.00 0.79 H new ATOM 0 HB2 ALA A 12 -4.329 10.405 -8.597 1.00 0.79 H new ATOM 0 HB3 ALA A 12 -5.601 9.734 -9.645 1.00 0.79 H new ATOM 178 N THR A 13 -8.013 8.131 -7.613 1.00 0.58 N ATOM 179 CA THR A 13 -9.441 7.855 -7.652 1.00 0.65 C ATOM 180 C THR A 13 -9.847 6.876 -6.548 1.00 0.59 C ATOM 181 O THR A 13 -11.022 6.525 -6.474 1.00 0.62 O ATOM 182 CB THR A 13 -9.840 7.328 -9.039 1.00 0.75 C ATOM 183 OG1 THR A 13 -9.082 6.188 -9.386 1.00 0.72 O ATOM 184 CG2 THR A 13 -9.626 8.389 -10.121 1.00 0.85 C ATOM 0 H THR A 13 -7.442 7.287 -7.567 1.00 0.58 H new ATOM 0 HA THR A 13 -9.977 8.786 -7.470 1.00 0.65 H new ATOM 0 HB THR A 13 -10.897 7.069 -8.983 1.00 0.75 H new ATOM 0 HG1 THR A 13 -8.397 6.030 -8.703 1.00 0.72 H new ATOM 0 HG21 THR A 13 -9.918 7.984 -11.090 1.00 0.85 H new ATOM 0 HG22 THR A 13 -10.233 9.266 -9.896 1.00 0.85 H new ATOM 0 HG23 THR A 13 -8.574 8.674 -10.148 1.00 0.85 H new ATOM 192 N ALA A 14 -8.912 6.480 -5.670 1.00 0.51 N ATOM 193 CA ALA A 14 -9.102 5.547 -4.566 1.00 0.48 C ATOM 194 C ALA A 14 -9.772 6.284 -3.411 1.00 0.52 C ATOM 195 O ALA A 14 -9.233 6.447 -2.323 1.00 0.54 O ATOM 196 CB ALA A 14 -7.734 4.992 -4.155 1.00 0.45 C ATOM 0 H ALA A 14 -7.954 6.825 -5.721 1.00 0.51 H new ATOM 0 HA ALA A 14 -9.741 4.714 -4.860 1.00 0.48 H new ATOM 0 HB1 ALA A 14 -7.859 4.292 -3.329 1.00 0.45 H new ATOM 0 HB2 ALA A 14 -7.281 4.477 -5.002 1.00 0.45 H new ATOM 0 HB3 ALA A 14 -7.088 5.812 -3.841 1.00 0.45 H new ATOM 202 N THR A 15 -10.970 6.777 -3.671 1.00 0.69 N ATOM 203 CA THR A 15 -11.709 7.696 -2.831 1.00 0.81 C ATOM 204 C THR A 15 -12.454 6.967 -1.704 1.00 0.74 C ATOM 205 O THR A 15 -13.463 7.457 -1.202 1.00 0.72 O ATOM 206 CB THR A 15 -12.631 8.528 -3.741 1.00 1.09 C ATOM 207 OG1 THR A 15 -13.271 7.743 -4.731 1.00 1.64 O ATOM 208 CG2 THR A 15 -11.820 9.612 -4.459 1.00 1.02 C ATOM 0 H THR A 15 -11.479 6.532 -4.520 1.00 0.69 H new ATOM 0 HA THR A 15 -11.028 8.371 -2.312 1.00 0.81 H new ATOM 0 HB THR A 15 -13.391 8.963 -3.093 1.00 1.09 H new ATOM 0 HG1 THR A 15 -13.845 8.315 -5.281 1.00 1.64 H new ATOM 0 HG21 THR A 15 -12.480 10.196 -5.100 1.00 1.02 H new ATOM 0 HG22 THR A 15 -11.357 10.268 -3.722 1.00 1.02 H new ATOM 0 HG23 THR A 15 -11.045 9.144 -5.066 1.00 1.02 H new ATOM 216 N GLU A 16 -11.897 5.859 -1.202 1.00 0.71 N ATOM 217 CA GLU A 16 -12.471 5.009 -0.157 1.00 0.67 C ATOM 218 C GLU A 16 -12.302 5.605 1.247 1.00 0.68 C ATOM 219 O GLU A 16 -12.155 4.895 2.240 1.00 0.67 O ATOM 220 CB GLU A 16 -11.800 3.630 -0.249 1.00 0.64 C ATOM 221 CG GLU A 16 -12.580 2.702 -1.180 1.00 0.66 C ATOM 222 CD GLU A 16 -12.670 3.280 -2.592 1.00 1.78 C ATOM 223 OE1 GLU A 16 -13.792 3.682 -2.967 1.00 2.77 O ATOM 224 OE2 GLU A 16 -11.608 3.360 -3.251 1.00 2.89 O ATOM 0 H GLU A 16 -10.993 5.517 -1.529 1.00 0.71 H new ATOM 0 HA GLU A 16 -13.546 4.927 -0.319 1.00 0.67 H new ATOM 0 HB2 GLU A 16 -10.779 3.742 -0.613 1.00 0.64 H new ATOM 0 HB3 GLU A 16 -11.737 3.185 0.744 1.00 0.64 H new ATOM 0 HG2 GLU A 16 -12.095 1.726 -1.214 1.00 0.66 H new ATOM 0 HG3 GLU A 16 -13.583 2.546 -0.784 1.00 0.66 H new ATOM 231 N GLY A 17 -12.276 6.927 1.370 1.00 0.76 N ATOM 232 CA GLY A 17 -12.049 7.587 2.642 1.00 0.84 C ATOM 233 C GLY A 17 -10.559 7.673 2.960 1.00 0.81 C ATOM 234 O GLY A 17 -10.124 8.677 3.521 1.00 0.92 O ATOM 0 H GLY A 17 -12.412 7.568 0.588 1.00 0.76 H new ATOM 0 HA2 GLY A 17 -12.477 8.589 2.616 1.00 0.84 H new ATOM 0 HA3 GLY A 17 -12.562 7.042 3.434 1.00 0.84 H new ATOM 238 N VAL A 18 -9.794 6.637 2.611 1.00 0.71 N ATOM 239 CA VAL A 18 -8.414 6.435 3.003 1.00 0.72 C ATOM 240 C VAL A 18 -7.651 5.979 1.769 1.00 0.66 C ATOM 241 O VAL A 18 -8.171 5.201 0.971 1.00 0.65 O ATOM 242 CB VAL A 18 -8.354 5.351 4.088 1.00 0.84 C ATOM 243 CG1 VAL A 18 -6.919 5.109 4.580 1.00 0.79 C ATOM 244 CG2 VAL A 18 -9.216 5.734 5.287 1.00 1.41 C ATOM 0 H VAL A 18 -10.145 5.884 2.019 1.00 0.71 H new ATOM 0 HA VAL A 18 -7.978 7.352 3.400 1.00 0.72 H new ATOM 0 HB VAL A 18 -8.731 4.436 3.631 1.00 0.84 H new ATOM 0 HG11 VAL A 18 -6.923 4.335 5.347 1.00 0.79 H new ATOM 0 HG12 VAL A 18 -6.297 4.789 3.744 1.00 0.79 H new ATOM 0 HG13 VAL A 18 -6.517 6.032 4.998 1.00 0.79 H new ATOM 0 HG21 VAL A 18 -9.157 4.950 6.042 1.00 1.41 H new ATOM 0 HG22 VAL A 18 -8.856 6.672 5.709 1.00 1.41 H new ATOM 0 HG23 VAL A 18 -10.251 5.853 4.968 1.00 1.41 H new ATOM 254 N ILE A 19 -6.416 6.454 1.644 1.00 0.71 N ATOM 255 CA ILE A 19 -5.518 6.197 0.537 1.00 0.81 C ATOM 256 C ILE A 19 -4.176 5.846 1.161 1.00 0.79 C ATOM 257 O ILE A 19 -3.786 6.482 2.136 1.00 0.77 O ATOM 258 CB ILE A 19 -5.443 7.462 -0.340 1.00 0.95 C ATOM 259 CG1 ILE A 19 -6.786 7.622 -1.067 1.00 0.79 C ATOM 260 CG2 ILE A 19 -4.300 7.374 -1.360 1.00 1.26 C ATOM 261 CD1 ILE A 19 -6.877 8.880 -1.936 1.00 1.43 C ATOM 0 H ILE A 19 -5.999 7.059 2.351 1.00 0.71 H new ATOM 0 HA ILE A 19 -5.848 5.381 -0.106 1.00 0.81 H new ATOM 0 HB ILE A 19 -5.244 8.325 0.295 1.00 0.95 H new ATOM 0 HG12 ILE A 19 -6.955 6.747 -1.694 1.00 0.79 H new ATOM 0 HG13 ILE A 19 -7.587 7.644 -0.328 1.00 0.79 H new ATOM 0 HG21 ILE A 19 -4.278 8.283 -1.961 1.00 1.26 H new ATOM 0 HG22 ILE A 19 -3.351 7.263 -0.835 1.00 1.26 H new ATOM 0 HG23 ILE A 19 -4.458 6.513 -2.010 1.00 1.26 H new ATOM 0 HD11 ILE A 19 -7.855 8.921 -2.416 1.00 1.43 H new ATOM 0 HD12 ILE A 19 -6.742 9.764 -1.312 1.00 1.43 H new ATOM 0 HD13 ILE A 19 -6.099 8.852 -2.699 1.00 1.43 H new ATOM 273 N ILE A 20 -3.463 4.860 0.613 1.00 0.84 N ATOM 274 CA ILE A 20 -2.151 4.465 1.094 1.00 0.81 C ATOM 275 C ILE A 20 -1.230 4.499 -0.110 1.00 0.82 C ATOM 276 O ILE A 20 -1.601 4.034 -1.185 1.00 0.88 O ATOM 277 CB ILE A 20 -2.161 3.068 1.744 1.00 0.84 C ATOM 278 CG1 ILE A 20 -3.170 2.974 2.898 1.00 0.90 C ATOM 279 CG2 ILE A 20 -0.770 2.729 2.304 1.00 0.88 C ATOM 280 CD1 ILE A 20 -4.547 2.519 2.432 1.00 0.76 C ATOM 0 H ILE A 20 -3.789 4.313 -0.184 1.00 0.84 H new ATOM 0 HA ILE A 20 -1.815 5.146 1.876 1.00 0.81 H new ATOM 0 HB ILE A 20 -2.447 2.364 0.963 1.00 0.84 H new ATOM 0 HG12 ILE A 20 -2.795 2.278 3.648 1.00 0.90 H new ATOM 0 HG13 ILE A 20 -3.257 3.947 3.381 1.00 0.90 H new ATOM 0 HG21 ILE A 20 -0.793 1.739 2.760 1.00 0.88 H new ATOM 0 HG22 ILE A 20 -0.040 2.739 1.495 1.00 0.88 H new ATOM 0 HG23 ILE A 20 -0.490 3.468 3.055 1.00 0.88 H new ATOM 0 HD11 ILE A 20 -5.222 2.469 3.286 1.00 0.76 H new ATOM 0 HD12 ILE A 20 -4.937 3.228 1.702 1.00 0.76 H new ATOM 0 HD13 ILE A 20 -4.469 1.533 1.974 1.00 0.76 H new ATOM 292 N ASN A 21 -0.038 5.051 0.080 1.00 0.78 N ATOM 293 CA ASN A 21 0.966 5.185 -0.954 1.00 0.89 C ATOM 294 C ASN A 21 2.298 4.719 -0.377 1.00 0.83 C ATOM 295 O ASN A 21 2.488 4.738 0.842 1.00 0.72 O ATOM 296 CB ASN A 21 1.019 6.646 -1.415 1.00 0.99 C ATOM 297 CG ASN A 21 1.566 6.778 -2.826 1.00 1.33 C ATOM 298 OD1 ASN A 21 1.980 5.800 -3.439 1.00 1.88 O ATOM 299 ND2 ASN A 21 1.555 7.987 -3.369 1.00 2.18 N ATOM 0 H ASN A 21 0.259 5.425 0.981 1.00 0.78 H new ATOM 0 HA ASN A 21 0.730 4.574 -1.826 1.00 0.89 H new ATOM 0 HB2 ASN A 21 0.018 7.076 -1.372 1.00 0.99 H new ATOM 0 HB3 ASN A 21 1.642 7.220 -0.729 1.00 0.99 H new ATOM 0 HD21 ASN A 21 1.897 8.122 -4.321 1.00 2.18 H new ATOM 0 HD22 ASN A 21 1.205 8.783 -2.835 1.00 2.18 H new ATOM 306 N ALA A 22 3.219 4.281 -1.231 1.00 0.98 N ATOM 307 CA ALA A 22 4.556 3.949 -0.768 1.00 0.98 C ATOM 308 C ALA A 22 5.336 5.239 -0.486 1.00 1.12 C ATOM 309 O ALA A 22 4.928 6.332 -0.865 1.00 2.07 O ATOM 310 CB ALA A 22 5.258 3.043 -1.787 1.00 1.17 C ATOM 0 H ALA A 22 3.065 4.150 -2.231 1.00 0.98 H new ATOM 0 HA ALA A 22 4.502 3.389 0.166 1.00 0.98 H new ATOM 0 HB1 ALA A 22 6.259 2.801 -1.430 1.00 1.17 H new ATOM 0 HB2 ALA A 22 4.685 2.124 -1.912 1.00 1.17 H new ATOM 0 HB3 ALA A 22 5.330 3.559 -2.744 1.00 1.17 H new ATOM 316 N ALA A 23 6.463 5.103 0.202 1.00 0.61 N ATOM 317 CA ALA A 23 7.318 6.209 0.614 1.00 0.77 C ATOM 318 C ALA A 23 8.753 5.715 0.752 1.00 0.64 C ATOM 319 O ALA A 23 9.694 6.282 0.205 1.00 0.73 O ATOM 320 CB ALA A 23 6.810 6.758 1.950 1.00 1.06 C ATOM 0 H ALA A 23 6.818 4.193 0.497 1.00 0.61 H new ATOM 0 HA ALA A 23 7.293 7.003 -0.132 1.00 0.77 H new ATOM 0 HB1 ALA A 23 7.443 7.586 2.267 1.00 1.06 H new ATOM 0 HB2 ALA A 23 5.785 7.109 1.833 1.00 1.06 H new ATOM 0 HB3 ALA A 23 6.840 5.970 2.702 1.00 1.06 H new ATOM 326 N ASN A 24 8.919 4.617 1.487 1.00 0.56 N ATOM 327 CA ASN A 24 10.202 4.000 1.781 1.00 0.54 C ATOM 328 C ASN A 24 11.146 4.962 2.508 1.00 0.76 C ATOM 329 O ASN A 24 10.802 6.104 2.811 1.00 0.98 O ATOM 330 CB ASN A 24 10.810 3.413 0.494 1.00 0.67 C ATOM 331 CG ASN A 24 9.827 2.493 -0.220 1.00 1.14 C ATOM 332 OD1 ASN A 24 8.942 1.917 0.399 1.00 1.51 O ATOM 333 ND2 ASN A 24 9.947 2.354 -1.531 1.00 1.85 N ATOM 0 H ASN A 24 8.134 4.119 1.907 1.00 0.56 H new ATOM 0 HA ASN A 24 10.044 3.174 2.474 1.00 0.54 H new ATOM 0 HB2 ASN A 24 11.102 4.223 -0.174 1.00 0.67 H new ATOM 0 HB3 ASN A 24 11.716 2.859 0.738 1.00 0.67 H new ATOM 0 HD21 ASN A 24 9.295 1.759 -2.043 1.00 1.85 H new ATOM 0 HD22 ASN A 24 10.691 2.842 -2.030 1.00 1.85 H new ATOM 340 N SER A 25 12.387 4.526 2.732 1.00 0.88 N ATOM 341 CA SER A 25 13.424 5.388 3.290 1.00 1.21 C ATOM 342 C SER A 25 13.769 6.560 2.365 1.00 1.51 C ATOM 343 O SER A 25 14.579 7.404 2.737 1.00 1.97 O ATOM 344 CB SER A 25 14.688 4.570 3.571 1.00 1.34 C ATOM 345 OG SER A 25 15.577 5.281 4.407 1.00 1.83 O ATOM 0 H SER A 25 12.697 3.575 2.533 1.00 0.88 H new ATOM 0 HA SER A 25 13.031 5.804 4.218 1.00 1.21 H new ATOM 0 HB2 SER A 25 14.417 3.626 4.043 1.00 1.34 H new ATOM 0 HB3 SER A 25 15.184 4.326 2.631 1.00 1.34 H new ATOM 0 HG SER A 25 15.668 6.201 4.081 1.00 1.83 H new ATOM 351 N LYS A 26 13.216 6.593 1.148 1.00 1.39 N ATOM 352 CA LYS A 26 13.509 7.607 0.151 1.00 1.72 C ATOM 353 C LYS A 26 12.460 8.718 0.185 1.00 1.73 C ATOM 354 O LYS A 26 12.647 9.740 -0.466 1.00 1.97 O ATOM 355 CB LYS A 26 13.569 6.950 -1.236 1.00 1.75 C ATOM 356 CG LYS A 26 14.569 5.781 -1.260 1.00 1.97 C ATOM 357 CD LYS A 26 14.792 5.263 -2.684 1.00 2.23 C ATOM 358 CE LYS A 26 15.647 3.991 -2.631 1.00 2.34 C ATOM 359 NZ LYS A 26 15.976 3.485 -3.982 1.00 2.95 N ATOM 0 H LYS A 26 12.540 5.898 0.830 1.00 1.39 H new ATOM 0 HA LYS A 26 14.475 8.061 0.372 1.00 1.72 H new ATOM 0 HB2 LYS A 26 12.578 6.589 -1.513 1.00 1.75 H new ATOM 0 HB3 LYS A 26 13.857 7.693 -1.980 1.00 1.75 H new ATOM 0 HG2 LYS A 26 15.520 6.105 -0.836 1.00 1.97 H new ATOM 0 HG3 LYS A 26 14.199 4.971 -0.631 1.00 1.97 H new ATOM 0 HD2 LYS A 26 13.835 5.052 -3.161 1.00 2.23 H new ATOM 0 HD3 LYS A 26 15.288 6.024 -3.287 1.00 2.23 H new ATOM 0 HE2 LYS A 26 16.569 4.197 -2.087 1.00 2.34 H new ATOM 0 HE3 LYS A 26 15.114 3.219 -2.075 1.00 2.34 H new ATOM 0 HZ1 LYS A 26 16.555 2.625 -3.899 1.00 2.95 H new ATOM 0 HZ2 LYS A 26 15.098 3.264 -4.493 1.00 2.95 H new ATOM 0 HZ3 LYS A 26 16.507 4.210 -4.505 1.00 2.95 H new ATOM 373 N GLY A 27 11.346 8.518 0.896 1.00 1.53 N ATOM 374 CA GLY A 27 10.257 9.478 0.950 1.00 1.66 C ATOM 375 C GLY A 27 9.455 9.530 -0.347 1.00 1.53 C ATOM 376 O GLY A 27 8.618 10.409 -0.513 1.00 1.71 O ATOM 0 H GLY A 27 11.181 7.678 1.451 1.00 1.53 H new ATOM 0 HA2 GLY A 27 9.592 9.221 1.774 1.00 1.66 H new ATOM 0 HA3 GLY A 27 10.661 10.468 1.163 1.00 1.66 H new ATOM 380 N GLN A 28 9.657 8.587 -1.270 1.00 1.29 N ATOM 381 CA GLN A 28 9.049 8.612 -2.581 1.00 1.22 C ATOM 382 C GLN A 28 8.452 7.237 -2.882 1.00 1.03 C ATOM 383 O GLN A 28 9.170 6.237 -2.852 1.00 1.04 O ATOM 384 CB GLN A 28 10.122 8.998 -3.603 1.00 1.39 C ATOM 385 CG GLN A 28 9.520 9.057 -5.006 1.00 1.32 C ATOM 386 CD GLN A 28 10.513 9.623 -6.012 1.00 1.55 C ATOM 387 OE1 GLN A 28 11.207 8.885 -6.700 1.00 2.73 O ATOM 388 NE2 GLN A 28 10.606 10.943 -6.113 1.00 2.07 N ATOM 0 H GLN A 28 10.258 7.777 -1.115 1.00 1.29 H new ATOM 0 HA GLN A 28 8.243 9.345 -2.628 1.00 1.22 H new ATOM 0 HB2 GLN A 28 10.551 9.966 -3.343 1.00 1.39 H new ATOM 0 HB3 GLN A 28 10.935 8.272 -3.579 1.00 1.39 H new ATOM 0 HG2 GLN A 28 9.216 8.057 -5.316 1.00 1.32 H new ATOM 0 HG3 GLN A 28 8.621 9.674 -4.993 1.00 1.32 H new ATOM 0 HE21 GLN A 28 10.020 11.542 -5.531 1.00 2.07 H new ATOM 0 HE22 GLN A 28 11.264 11.359 -6.772 1.00 2.07 H new ATOM 397 N PRO A 29 7.154 7.166 -3.208 1.00 0.93 N ATOM 398 CA PRO A 29 6.560 5.948 -3.711 1.00 0.86 C ATOM 399 C PRO A 29 7.218 5.579 -5.033 1.00 0.89 C ATOM 400 O PRO A 29 7.104 6.316 -6.013 1.00 1.12 O ATOM 401 CB PRO A 29 5.066 6.218 -3.900 1.00 0.87 C ATOM 402 CG PRO A 29 4.850 7.697 -3.582 1.00 1.07 C ATOM 403 CD PRO A 29 6.214 8.267 -3.198 1.00 1.02 C ATOM 0 HA PRO A 29 6.703 5.116 -3.021 1.00 0.86 H new ATOM 0 HB2 PRO A 29 4.757 5.991 -4.920 1.00 0.87 H new ATOM 0 HB3 PRO A 29 4.471 5.588 -3.239 1.00 0.87 H new ATOM 0 HG2 PRO A 29 4.440 8.222 -4.444 1.00 1.07 H new ATOM 0 HG3 PRO A 29 4.137 7.817 -2.767 1.00 1.07 H new ATOM 0 HD2 PRO A 29 6.520 9.041 -3.902 1.00 1.02 H new ATOM 0 HD3 PRO A 29 6.174 8.730 -2.212 1.00 1.02 H new ATOM 411 N GLY A 30 7.900 4.436 -5.070 1.00 0.97 N ATOM 412 CA GLY A 30 8.513 3.971 -6.308 1.00 1.05 C ATOM 413 C GLY A 30 7.440 3.672 -7.351 1.00 1.34 C ATOM 414 O GLY A 30 6.538 2.875 -7.101 1.00 2.06 O ATOM 0 H GLY A 30 8.040 3.823 -4.267 1.00 0.97 H new ATOM 0 HA2 GLY A 30 9.199 4.728 -6.689 1.00 1.05 H new ATOM 0 HA3 GLY A 30 9.102 3.075 -6.116 1.00 1.05 H new ATOM 418 N GLY A 31 7.545 4.308 -8.517 1.00 1.27 N ATOM 419 CA GLY A 31 6.569 4.240 -9.590 1.00 1.85 C ATOM 420 C GLY A 31 6.353 5.659 -10.105 1.00 1.15 C ATOM 421 O GLY A 31 7.195 6.525 -9.882 1.00 2.34 O ATOM 0 H GLY A 31 8.341 4.904 -8.743 1.00 1.27 H new ATOM 0 HA2 GLY A 31 6.924 3.592 -10.391 1.00 1.85 H new ATOM 0 HA3 GLY A 31 5.632 3.816 -9.229 1.00 1.85 H new ATOM 425 N GLY A 32 5.217 5.913 -10.760 1.00 1.19 N ATOM 426 CA GLY A 32 4.828 7.260 -11.165 1.00 1.43 C ATOM 427 C GLY A 32 3.522 7.693 -10.501 1.00 1.22 C ATOM 428 O GLY A 32 2.966 8.734 -10.844 1.00 1.34 O ATOM 0 H GLY A 32 4.545 5.191 -11.022 1.00 1.19 H new ATOM 0 HA2 GLY A 32 5.620 7.962 -10.903 1.00 1.43 H new ATOM 0 HA3 GLY A 32 4.715 7.296 -12.249 1.00 1.43 H new ATOM 432 N VAL A 33 3.021 6.919 -9.534 1.00 1.03 N ATOM 433 CA VAL A 33 1.743 7.200 -8.894 1.00 0.95 C ATOM 434 C VAL A 33 1.804 8.480 -8.071 1.00 1.00 C ATOM 435 O VAL A 33 0.806 9.191 -7.967 1.00 1.01 O ATOM 436 CB VAL A 33 1.274 5.988 -8.070 1.00 0.96 C ATOM 437 CG1 VAL A 33 1.143 4.758 -8.976 1.00 1.78 C ATOM 438 CG2 VAL A 33 2.214 5.653 -6.903 1.00 1.78 C ATOM 0 H VAL A 33 3.490 6.086 -9.178 1.00 1.03 H new ATOM 0 HA VAL A 33 0.996 7.371 -9.670 1.00 0.95 H new ATOM 0 HB VAL A 33 0.308 6.258 -7.644 1.00 0.96 H new ATOM 0 HG11 VAL A 33 0.811 3.905 -8.385 1.00 1.78 H new ATOM 0 HG12 VAL A 33 0.415 4.961 -9.762 1.00 1.78 H new ATOM 0 HG13 VAL A 33 2.110 4.533 -9.426 1.00 1.78 H new ATOM 0 HG21 VAL A 33 1.828 4.789 -6.361 1.00 1.78 H new ATOM 0 HG22 VAL A 33 3.207 5.425 -7.290 1.00 1.78 H new ATOM 0 HG23 VAL A 33 2.275 6.507 -6.228 1.00 1.78 H new ATOM 448 N CYS A 34 2.981 8.825 -7.543 1.00 1.11 N ATOM 449 CA CYS A 34 3.169 10.100 -6.868 1.00 1.31 C ATOM 450 C CYS A 34 2.816 11.269 -7.793 1.00 1.26 C ATOM 451 O CYS A 34 2.428 12.322 -7.311 1.00 1.29 O ATOM 452 CB CYS A 34 4.609 10.233 -6.351 1.00 1.59 C ATOM 453 SG CYS A 34 4.572 11.008 -4.709 1.00 2.86 S ATOM 0 H CYS A 34 3.814 8.236 -7.573 1.00 1.11 H new ATOM 0 HA CYS A 34 2.493 10.131 -6.013 1.00 1.31 H new ATOM 0 HB2 CYS A 34 5.082 9.253 -6.295 1.00 1.59 H new ATOM 0 HB3 CYS A 34 5.203 10.835 -7.039 1.00 1.59 H new ATOM 0 HG CYS A 34 4.623 12.301 -4.838 1.00 2.86 H new ATOM 459 N GLY A 35 2.949 11.105 -9.112 1.00 1.23 N ATOM 460 CA GLY A 35 2.706 12.169 -10.074 1.00 1.24 C ATOM 461 C GLY A 35 1.213 12.428 -10.256 1.00 1.09 C ATOM 462 O GLY A 35 0.770 13.574 -10.257 1.00 1.14 O ATOM 0 H GLY A 35 3.230 10.223 -9.539 1.00 1.23 H new ATOM 0 HA2 GLY A 35 3.197 13.083 -9.739 1.00 1.24 H new ATOM 0 HA3 GLY A 35 3.150 11.902 -11.033 1.00 1.24 H new ATOM 466 N ALA A 36 0.412 11.373 -10.409 1.00 0.96 N ATOM 467 CA ALA A 36 -1.032 11.541 -10.523 1.00 0.88 C ATOM 468 C ALA A 36 -1.579 12.078 -9.211 1.00 0.86 C ATOM 469 O ALA A 36 -2.348 13.043 -9.193 1.00 0.87 O ATOM 470 CB ALA A 36 -1.685 10.207 -10.897 1.00 0.85 C ATOM 0 H ALA A 36 0.735 10.407 -10.456 1.00 0.96 H new ATOM 0 HA ALA A 36 -1.263 12.257 -11.312 1.00 0.88 H new ATOM 0 HB1 ALA A 36 -2.764 10.341 -10.980 1.00 0.85 H new ATOM 0 HB2 ALA A 36 -1.287 9.862 -11.851 1.00 0.85 H new ATOM 0 HB3 ALA A 36 -1.469 9.468 -10.126 1.00 0.85 H new ATOM 476 N LEU A 37 -1.153 11.473 -8.102 1.00 0.88 N ATOM 477 CA LEU A 37 -1.581 11.915 -6.795 1.00 0.89 C ATOM 478 C LEU A 37 -1.143 13.347 -6.534 1.00 0.93 C ATOM 479 O LEU A 37 -1.865 14.080 -5.888 1.00 0.97 O ATOM 480 CB LEU A 37 -1.064 10.964 -5.716 1.00 0.98 C ATOM 481 CG LEU A 37 -1.780 11.175 -4.373 1.00 1.08 C ATOM 482 CD1 LEU A 37 -3.241 10.708 -4.419 1.00 1.16 C ATOM 483 CD2 LEU A 37 -1.064 10.323 -3.325 1.00 1.10 C ATOM 0 H LEU A 37 -0.514 10.678 -8.093 1.00 0.88 H new ATOM 0 HA LEU A 37 -2.670 11.899 -6.763 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -1.203 9.934 -6.043 1.00 0.98 H new ATOM 0 HB3 LEU A 37 0.007 11.114 -5.583 1.00 0.98 H new ATOM 0 HG LEU A 37 -1.761 12.240 -4.140 1.00 1.08 H new ATOM 0 HD11 LEU A 37 -3.707 10.876 -3.448 1.00 1.16 H new ATOM 0 HD12 LEU A 37 -3.779 11.270 -5.182 1.00 1.16 H new ATOM 0 HD13 LEU A 37 -3.276 9.645 -4.659 1.00 1.16 H new ATOM 0 HD21 LEU A 37 -1.550 10.451 -2.358 1.00 1.10 H new ATOM 0 HD22 LEU A 37 -1.108 9.274 -3.617 1.00 1.10 H new ATOM 0 HD23 LEU A 37 -0.022 10.636 -3.252 1.00 1.10 H new ATOM 495 N TYR A 38 -0.004 13.783 -7.057 1.00 0.97 N ATOM 496 CA TYR A 38 0.420 15.172 -6.989 1.00 1.03 C ATOM 497 C TYR A 38 -0.485 16.073 -7.819 1.00 1.07 C ATOM 498 O TYR A 38 -0.747 17.204 -7.424 1.00 1.13 O ATOM 499 CB TYR A 38 1.855 15.236 -7.497 1.00 1.10 C ATOM 500 CG TYR A 38 2.459 16.589 -7.814 1.00 1.30 C ATOM 501 CD1 TYR A 38 2.999 16.817 -9.094 1.00 2.42 C ATOM 502 CD2 TYR A 38 2.554 17.586 -6.826 1.00 2.46 C ATOM 503 CE1 TYR A 38 3.636 18.034 -9.387 1.00 2.74 C ATOM 504 CE2 TYR A 38 3.185 18.810 -7.113 1.00 2.70 C ATOM 505 CZ TYR A 38 3.734 19.035 -8.397 1.00 2.13 C ATOM 506 OH TYR A 38 4.368 20.205 -8.692 1.00 2.61 O ATOM 0 H TYR A 38 0.656 13.176 -7.544 1.00 0.97 H new ATOM 0 HA TYR A 38 0.358 15.530 -5.961 1.00 1.03 H new ATOM 0 HB2 TYR A 38 2.490 14.758 -6.751 1.00 1.10 H new ATOM 0 HB3 TYR A 38 1.912 14.629 -8.401 1.00 1.10 H new ATOM 0 HD1 TYR A 38 2.923 16.053 -9.854 1.00 2.42 H new ATOM 0 HD2 TYR A 38 2.141 17.411 -5.844 1.00 2.46 H new ATOM 0 HE1 TYR A 38 4.051 18.204 -10.370 1.00 2.74 H new ATOM 0 HE2 TYR A 38 3.250 19.576 -6.355 1.00 2.70 H new ATOM 0 HH TYR A 38 4.352 20.793 -7.908 1.00 2.61 H new ATOM 516 N LYS A 39 -0.963 15.614 -8.978 1.00 1.08 N ATOM 517 CA LYS A 39 -1.694 16.496 -9.872 1.00 1.18 C ATOM 518 C LYS A 39 -3.040 16.833 -9.251 1.00 1.20 C ATOM 519 O LYS A 39 -3.555 17.933 -9.427 1.00 1.35 O ATOM 520 CB LYS A 39 -1.846 15.845 -11.253 1.00 1.30 C ATOM 521 CG LYS A 39 -2.213 16.929 -12.272 1.00 1.44 C ATOM 522 CD LYS A 39 -2.328 16.397 -13.704 1.00 1.70 C ATOM 523 CE LYS A 39 -3.740 15.869 -13.980 1.00 2.90 C ATOM 524 NZ LYS A 39 -3.908 15.478 -15.398 1.00 3.36 N ATOM 0 H LYS A 39 -0.857 14.655 -9.309 1.00 1.08 H new ATOM 0 HA LYS A 39 -1.142 17.425 -10.014 1.00 1.18 H new ATOM 0 HB2 LYS A 39 -0.917 15.353 -11.543 1.00 1.30 H new ATOM 0 HB3 LYS A 39 -2.618 15.076 -11.225 1.00 1.30 H new ATOM 0 HG2 LYS A 39 -3.160 17.384 -11.983 1.00 1.44 H new ATOM 0 HG3 LYS A 39 -1.459 17.716 -12.243 1.00 1.44 H new ATOM 0 HD2 LYS A 39 -2.088 17.191 -14.411 1.00 1.70 H new ATOM 0 HD3 LYS A 39 -1.601 15.600 -13.860 1.00 1.70 H new ATOM 0 HE2 LYS A 39 -3.940 15.010 -13.339 1.00 2.90 H new ATOM 0 HE3 LYS A 39 -4.472 16.635 -13.724 1.00 2.90 H new ATOM 0 HZ1 LYS A 39 -4.875 15.126 -15.549 1.00 3.36 H new ATOM 0 HZ2 LYS A 39 -3.742 16.304 -16.008 1.00 3.36 H new ATOM 0 HZ3 LYS A 39 -3.226 14.730 -15.635 1.00 3.36 H new ATOM 538 N LYS A 40 -3.636 15.860 -8.563 1.00 1.09 N ATOM 539 CA LYS A 40 -4.967 16.019 -7.995 1.00 1.10 C ATOM 540 C LYS A 40 -4.930 16.330 -6.502 1.00 1.11 C ATOM 541 O LYS A 40 -5.812 17.005 -5.983 1.00 1.24 O ATOM 542 CB LYS A 40 -5.739 14.737 -8.283 1.00 1.06 C ATOM 543 CG LYS A 40 -7.231 14.901 -7.952 1.00 1.14 C ATOM 544 CD LYS A 40 -8.123 14.569 -9.144 1.00 1.23 C ATOM 545 CE LYS A 40 -7.794 15.542 -10.280 1.00 1.43 C ATOM 546 NZ LYS A 40 -9.000 15.903 -11.057 1.00 1.98 N ATOM 0 H LYS A 40 -3.212 14.949 -8.387 1.00 1.09 H new ATOM 0 HA LYS A 40 -5.462 16.875 -8.453 1.00 1.10 H new ATOM 0 HB2 LYS A 40 -5.624 14.468 -9.333 1.00 1.06 H new ATOM 0 HB3 LYS A 40 -5.321 13.918 -7.697 1.00 1.06 H new ATOM 0 HG2 LYS A 40 -7.490 14.253 -7.115 1.00 1.14 H new ATOM 0 HG3 LYS A 40 -7.420 15.926 -7.632 1.00 1.14 H new ATOM 0 HD2 LYS A 40 -7.959 13.541 -9.466 1.00 1.23 H new ATOM 0 HD3 LYS A 40 -9.174 14.652 -8.866 1.00 1.23 H new ATOM 0 HE2 LYS A 40 -7.343 16.445 -9.867 1.00 1.43 H new ATOM 0 HE3 LYS A 40 -7.055 15.091 -10.943 1.00 1.43 H new ATOM 0 HZ1 LYS A 40 -8.739 16.563 -11.817 1.00 1.98 H new ATOM 0 HZ2 LYS A 40 -9.416 15.045 -11.471 1.00 1.98 H new ATOM 0 HZ3 LYS A 40 -9.695 16.356 -10.429 1.00 1.98 H new ATOM 560 N PHE A 41 -3.910 15.832 -5.818 1.00 1.07 N ATOM 561 CA PHE A 41 -3.733 15.959 -4.377 1.00 1.22 C ATOM 562 C PHE A 41 -2.287 16.374 -4.090 1.00 1.02 C ATOM 563 O PHE A 41 -1.565 15.658 -3.394 1.00 0.95 O ATOM 564 CB PHE A 41 -4.051 14.643 -3.632 1.00 1.37 C ATOM 565 CG PHE A 41 -5.357 13.942 -3.946 1.00 1.09 C ATOM 566 CD1 PHE A 41 -5.462 13.211 -5.137 1.00 0.89 C ATOM 567 CD2 PHE A 41 -6.420 13.917 -3.023 1.00 1.87 C ATOM 568 CE1 PHE A 41 -6.629 12.488 -5.432 1.00 1.04 C ATOM 569 CE2 PHE A 41 -7.591 13.196 -3.318 1.00 2.45 C ATOM 570 CZ PHE A 41 -7.699 12.485 -4.524 1.00 2.00 C ATOM 0 H PHE A 41 -3.156 15.310 -6.266 1.00 1.07 H new ATOM 0 HA PHE A 41 -4.431 16.714 -4.016 1.00 1.22 H new ATOM 0 HB2 PHE A 41 -3.240 13.942 -3.832 1.00 1.37 H new ATOM 0 HB3 PHE A 41 -4.034 14.853 -2.563 1.00 1.37 H new ATOM 0 HD1 PHE A 41 -4.638 13.204 -5.835 1.00 0.89 H new ATOM 0 HD2 PHE A 41 -6.336 14.452 -2.088 1.00 1.87 H new ATOM 0 HE1 PHE A 41 -6.703 11.935 -6.357 1.00 1.04 H new ATOM 0 HE2 PHE A 41 -8.410 13.189 -2.614 1.00 2.45 H new ATOM 0 HZ PHE A 41 -8.602 11.938 -4.752 1.00 2.00 H new ATOM 580 N PRO A 42 -1.846 17.560 -4.531 1.00 1.14 N ATOM 581 CA PRO A 42 -0.484 18.024 -4.292 1.00 1.16 C ATOM 582 C PRO A 42 -0.177 18.150 -2.798 1.00 1.05 C ATOM 583 O PRO A 42 0.980 18.153 -2.394 1.00 1.10 O ATOM 584 CB PRO A 42 -0.366 19.364 -5.024 1.00 1.55 C ATOM 585 CG PRO A 42 -1.812 19.848 -5.138 1.00 1.71 C ATOM 586 CD PRO A 42 -2.620 18.556 -5.250 1.00 1.44 C ATOM 0 HA PRO A 42 0.249 17.310 -4.666 1.00 1.16 H new ATOM 0 HB2 PRO A 42 0.249 20.071 -4.467 1.00 1.55 H new ATOM 0 HB3 PRO A 42 0.094 19.245 -6.005 1.00 1.55 H new ATOM 0 HG2 PRO A 42 -2.109 20.431 -4.266 1.00 1.71 H new ATOM 0 HG3 PRO A 42 -1.953 20.485 -6.011 1.00 1.71 H new ATOM 0 HD2 PRO A 42 -3.612 18.673 -4.815 1.00 1.44 H new ATOM 0 HD3 PRO A 42 -2.761 18.269 -6.292 1.00 1.44 H new ATOM 594 N GLU A 43 -1.213 18.208 -1.966 1.00 1.05 N ATOM 595 CA GLU A 43 -1.114 18.329 -0.523 1.00 1.11 C ATOM 596 C GLU A 43 -0.526 17.063 0.105 1.00 0.97 C ATOM 597 O GLU A 43 0.032 17.111 1.194 1.00 1.09 O ATOM 598 CB GLU A 43 -2.529 18.579 -0.001 1.00 1.30 C ATOM 599 CG GLU A 43 -2.924 20.050 -0.143 1.00 1.60 C ATOM 600 CD GLU A 43 -2.270 20.878 0.961 1.00 2.61 C ATOM 601 OE1 GLU A 43 -2.673 20.659 2.126 1.00 3.99 O ATOM 602 OE2 GLU A 43 -1.377 21.683 0.627 1.00 3.37 O ATOM 0 H GLU A 43 -2.178 18.170 -2.295 1.00 1.05 H new ATOM 0 HA GLU A 43 -0.446 19.148 -0.257 1.00 1.11 H new ATOM 0 HB2 GLU A 43 -3.236 17.956 -0.549 1.00 1.30 H new ATOM 0 HB3 GLU A 43 -2.590 18.284 1.047 1.00 1.30 H new ATOM 0 HG2 GLU A 43 -2.617 20.424 -1.119 1.00 1.60 H new ATOM 0 HG3 GLU A 43 -4.008 20.150 -0.090 1.00 1.60 H new ATOM 609 N SER A 44 -0.667 15.915 -0.561 1.00 0.90 N ATOM 610 CA SER A 44 -0.106 14.663 -0.074 1.00 0.89 C ATOM 611 C SER A 44 1.327 14.450 -0.563 1.00 0.95 C ATOM 612 O SER A 44 1.965 13.464 -0.194 1.00 1.11 O ATOM 613 CB SER A 44 -1.014 13.503 -0.483 1.00 1.04 C ATOM 614 OG SER A 44 -0.988 13.252 -1.874 1.00 1.86 O ATOM 0 H SER A 44 -1.169 15.832 -1.445 1.00 0.90 H new ATOM 0 HA SER A 44 -0.056 14.708 1.014 1.00 0.89 H new ATOM 0 HB2 SER A 44 -0.708 12.603 0.050 1.00 1.04 H new ATOM 0 HB3 SER A 44 -2.037 13.723 -0.177 1.00 1.04 H new ATOM 0 HG SER A 44 -1.203 14.076 -2.359 1.00 1.86 H new ATOM 620 N PHE A 45 1.860 15.363 -1.381 1.00 1.15 N ATOM 621 CA PHE A 45 3.195 15.302 -1.943 1.00 1.41 C ATOM 622 C PHE A 45 4.163 15.896 -0.919 1.00 1.40 C ATOM 623 O PHE A 45 4.925 16.812 -1.213 1.00 1.86 O ATOM 624 CB PHE A 45 3.149 16.090 -3.262 1.00 2.19 C ATOM 625 CG PHE A 45 4.188 15.746 -4.305 1.00 2.39 C ATOM 626 CD1 PHE A 45 4.183 14.473 -4.900 1.00 2.56 C ATOM 627 CD2 PHE A 45 5.063 16.737 -4.784 1.00 3.56 C ATOM 628 CE1 PHE A 45 5.033 14.199 -5.985 1.00 3.68 C ATOM 629 CE2 PHE A 45 5.915 16.461 -5.869 1.00 4.30 C ATOM 630 CZ PHE A 45 5.898 15.192 -6.472 1.00 4.30 C ATOM 0 H PHE A 45 1.346 16.193 -1.676 1.00 1.15 H new ATOM 0 HA PHE A 45 3.536 14.289 -2.157 1.00 1.41 H new ATOM 0 HB2 PHE A 45 2.164 15.949 -3.706 1.00 2.19 H new ATOM 0 HB3 PHE A 45 3.244 17.150 -3.027 1.00 2.19 H new ATOM 0 HD1 PHE A 45 3.525 13.704 -4.523 1.00 2.56 H new ATOM 0 HD2 PHE A 45 5.081 17.711 -4.318 1.00 3.56 H new ATOM 0 HE1 PHE A 45 5.021 13.222 -6.445 1.00 3.68 H new ATOM 0 HE2 PHE A 45 6.583 17.225 -6.239 1.00 4.30 H new ATOM 0 HZ PHE A 45 6.549 14.981 -7.308 1.00 4.30 H new ATOM 640 N ASP A 46 4.108 15.363 0.302 1.00 1.26 N ATOM 641 CA ASP A 46 4.953 15.719 1.423 1.00 1.71 C ATOM 642 C ASP A 46 6.321 15.095 1.194 1.00 1.64 C ATOM 643 O ASP A 46 7.346 15.718 1.448 1.00 2.42 O ATOM 644 CB ASP A 46 4.295 15.153 2.683 1.00 2.06 C ATOM 645 CG ASP A 46 5.126 15.418 3.929 1.00 2.70 C ATOM 646 OD1 ASP A 46 5.392 16.608 4.204 1.00 3.80 O ATOM 647 OD2 ASP A 46 5.469 14.414 4.592 1.00 2.96 O ATOM 0 H ASP A 46 3.435 14.634 0.539 1.00 1.26 H new ATOM 0 HA ASP A 46 5.073 16.797 1.529 1.00 1.71 H new ATOM 0 HB2 ASP A 46 3.307 15.596 2.806 1.00 2.06 H new ATOM 0 HB3 ASP A 46 4.151 14.079 2.565 1.00 2.06 H new ATOM 652 N LEU A 47 6.308 13.854 0.680 1.00 1.10 N ATOM 653 CA LEU A 47 7.463 13.053 0.282 1.00 1.16 C ATOM 654 C LEU A 47 8.665 13.236 1.213 1.00 1.05 C ATOM 655 O LEU A 47 9.821 13.258 0.793 1.00 1.21 O ATOM 656 CB LEU A 47 7.755 13.190 -1.226 1.00 1.36 C ATOM 657 CG LEU A 47 7.636 14.599 -1.824 1.00 1.32 C ATOM 658 CD1 LEU A 47 8.862 15.470 -1.564 1.00 1.63 C ATOM 659 CD2 LEU A 47 7.411 14.456 -3.325 1.00 1.75 C ATOM 0 H LEU A 47 5.431 13.357 0.524 1.00 1.10 H new ATOM 0 HA LEU A 47 7.208 12.002 0.417 1.00 1.16 H new ATOM 0 HB2 LEU A 47 8.765 12.825 -1.412 1.00 1.36 H new ATOM 0 HB3 LEU A 47 7.074 12.532 -1.766 1.00 1.36 H new ATOM 0 HG LEU A 47 6.799 15.102 -1.339 1.00 1.32 H new ATOM 0 HD11 LEU A 47 8.713 16.452 -2.013 1.00 1.63 H new ATOM 0 HD12 LEU A 47 9.008 15.581 -0.490 1.00 1.63 H new ATOM 0 HD13 LEU A 47 9.742 15.000 -2.004 1.00 1.63 H new ATOM 0 HD21 LEU A 47 7.323 15.445 -3.775 1.00 1.75 H new ATOM 0 HD22 LEU A 47 8.254 13.928 -3.771 1.00 1.75 H new ATOM 0 HD23 LEU A 47 6.495 13.893 -3.504 1.00 1.75 H new ATOM 671 N GLN A 48 8.374 13.298 2.513 1.00 0.93 N ATOM 672 CA GLN A 48 9.391 13.374 3.549 1.00 0.92 C ATOM 673 C GLN A 48 10.019 11.994 3.755 1.00 0.94 C ATOM 674 O GLN A 48 9.408 10.975 3.433 1.00 0.94 O ATOM 675 CB GLN A 48 8.745 13.850 4.858 1.00 0.92 C ATOM 676 CG GLN A 48 8.655 15.384 4.933 1.00 1.94 C ATOM 677 CD GLN A 48 9.496 15.959 6.071 1.00 2.91 C ATOM 678 OE1 GLN A 48 9.445 15.495 7.204 1.00 3.14 O ATOM 679 NE2 GLN A 48 10.300 16.979 5.803 1.00 4.22 N ATOM 0 H GLN A 48 7.420 13.297 2.873 1.00 0.93 H new ATOM 0 HA GLN A 48 10.167 14.078 3.249 1.00 0.92 H new ATOM 0 HB2 GLN A 48 7.746 13.424 4.945 1.00 0.92 H new ATOM 0 HB3 GLN A 48 9.324 13.479 5.704 1.00 0.92 H new ATOM 0 HG2 GLN A 48 8.987 15.812 3.987 1.00 1.94 H new ATOM 0 HG3 GLN A 48 7.614 15.679 5.069 1.00 1.94 H new ATOM 0 HE21 GLN A 48 10.340 17.363 4.859 1.00 4.22 H new ATOM 0 HE22 GLN A 48 10.879 17.380 6.541 1.00 4.22 H new ATOM 688 N PRO A 49 11.233 11.945 4.317 1.00 1.01 N ATOM 689 CA PRO A 49 11.891 10.696 4.653 1.00 1.08 C ATOM 690 C PRO A 49 11.099 9.980 5.749 1.00 1.00 C ATOM 691 O PRO A 49 10.618 10.616 6.685 1.00 1.10 O ATOM 692 CB PRO A 49 13.293 11.098 5.122 1.00 1.19 C ATOM 693 CG PRO A 49 13.098 12.515 5.663 1.00 1.16 C ATOM 694 CD PRO A 49 12.029 13.087 4.735 1.00 1.08 C ATOM 0 HA PRO A 49 11.950 10.002 3.815 1.00 1.08 H new ATOM 0 HB2 PRO A 49 13.667 10.423 5.892 1.00 1.19 H new ATOM 0 HB3 PRO A 49 14.011 11.077 4.303 1.00 1.19 H new ATOM 0 HG2 PRO A 49 12.770 12.510 6.703 1.00 1.16 H new ATOM 0 HG3 PRO A 49 14.021 13.094 5.623 1.00 1.16 H new ATOM 0 HD2 PRO A 49 11.416 13.826 5.250 1.00 1.08 H new ATOM 0 HD3 PRO A 49 12.479 13.588 3.878 1.00 1.08 H new ATOM 702 N ILE A 50 10.982 8.655 5.653 1.00 0.89 N ATOM 703 CA ILE A 50 10.317 7.823 6.637 1.00 0.83 C ATOM 704 C ILE A 50 11.317 6.738 7.027 1.00 0.85 C ATOM 705 O ILE A 50 12.282 6.493 6.306 1.00 0.89 O ATOM 706 CB ILE A 50 8.994 7.295 6.045 1.00 0.80 C ATOM 707 CG1 ILE A 50 8.118 8.508 5.676 1.00 0.88 C ATOM 708 CG2 ILE A 50 8.275 6.374 7.034 1.00 0.74 C ATOM 709 CD1 ILE A 50 6.658 8.165 5.380 1.00 1.25 C ATOM 0 H ILE A 50 11.359 8.125 4.867 1.00 0.89 H new ATOM 0 HA ILE A 50 10.030 8.360 7.541 1.00 0.83 H new ATOM 0 HB ILE A 50 9.197 6.700 5.154 1.00 0.80 H new ATOM 0 HG12 ILE A 50 8.151 9.227 6.494 1.00 0.88 H new ATOM 0 HG13 ILE A 50 8.548 8.999 4.803 1.00 0.88 H new ATOM 0 HG21 ILE A 50 7.346 6.017 6.589 1.00 0.74 H new ATOM 0 HG22 ILE A 50 8.914 5.523 7.270 1.00 0.74 H new ATOM 0 HG23 ILE A 50 8.052 6.925 7.948 1.00 0.74 H new ATOM 0 HD11 ILE A 50 6.114 9.076 5.130 1.00 1.25 H new ATOM 0 HD12 ILE A 50 6.610 7.471 4.541 1.00 1.25 H new ATOM 0 HD13 ILE A 50 6.207 7.703 6.258 1.00 1.25 H new ATOM 721 N GLU A 51 11.133 6.130 8.198 1.00 0.84 N ATOM 722 CA GLU A 51 12.030 5.102 8.689 1.00 0.88 C ATOM 723 C GLU A 51 11.724 3.782 7.975 1.00 0.75 C ATOM 724 O GLU A 51 10.874 3.729 7.090 1.00 0.87 O ATOM 725 CB GLU A 51 11.829 5.012 10.203 1.00 0.96 C ATOM 726 CG GLU A 51 13.048 4.476 10.958 1.00 1.44 C ATOM 727 CD GLU A 51 13.168 5.202 12.297 1.00 1.76 C ATOM 728 OE1 GLU A 51 14.143 5.970 12.445 1.00 3.06 O ATOM 729 OE2 GLU A 51 12.243 5.031 13.122 1.00 2.22 O ATOM 0 H GLU A 51 10.358 6.340 8.827 1.00 0.84 H new ATOM 0 HA GLU A 51 13.075 5.335 8.486 1.00 0.88 H new ATOM 0 HB2 GLU A 51 11.582 6.002 10.587 1.00 0.96 H new ATOM 0 HB3 GLU A 51 10.974 4.368 10.409 1.00 0.96 H new ATOM 0 HG2 GLU A 51 12.947 3.403 11.120 1.00 1.44 H new ATOM 0 HG3 GLU A 51 13.952 4.626 10.367 1.00 1.44 H new ATOM 736 N VAL A 52 12.382 2.693 8.362 1.00 0.66 N ATOM 737 CA VAL A 52 12.209 1.406 7.717 1.00 0.61 C ATOM 738 C VAL A 52 11.610 0.488 8.768 1.00 0.48 C ATOM 739 O VAL A 52 12.270 0.149 9.745 1.00 0.59 O ATOM 740 CB VAL A 52 13.547 0.900 7.164 1.00 0.84 C ATOM 741 CG1 VAL A 52 13.333 -0.281 6.213 1.00 1.16 C ATOM 742 CG2 VAL A 52 14.262 2.009 6.383 1.00 1.19 C ATOM 0 H VAL A 52 13.050 2.684 9.133 1.00 0.66 H new ATOM 0 HA VAL A 52 11.545 1.458 6.854 1.00 0.61 H new ATOM 0 HB VAL A 52 14.151 0.588 8.016 1.00 0.84 H new ATOM 0 HG11 VAL A 52 14.296 -0.622 5.834 1.00 1.16 H new ATOM 0 HG12 VAL A 52 12.845 -1.095 6.748 1.00 1.16 H new ATOM 0 HG13 VAL A 52 12.705 0.033 5.379 1.00 1.16 H new ATOM 0 HG21 VAL A 52 15.209 1.631 5.999 1.00 1.19 H new ATOM 0 HG22 VAL A 52 13.635 2.330 5.551 1.00 1.19 H new ATOM 0 HG23 VAL A 52 14.451 2.855 7.043 1.00 1.19 H new ATOM 752 N GLY A 53 10.327 0.187 8.602 1.00 0.53 N ATOM 753 CA GLY A 53 9.556 -0.616 9.536 1.00 0.72 C ATOM 754 C GLY A 53 8.360 0.158 10.083 1.00 0.79 C ATOM 755 O GLY A 53 7.570 -0.384 10.850 1.00 1.47 O ATOM 0 H GLY A 53 9.785 0.502 7.797 1.00 0.53 H new ATOM 0 HA2 GLY A 53 9.208 -1.521 9.039 1.00 0.72 H new ATOM 0 HA3 GLY A 53 10.195 -0.931 10.361 1.00 0.72 H new ATOM 759 N LYS A 54 8.194 1.432 9.709 1.00 0.35 N ATOM 760 CA LYS A 54 7.088 2.223 10.234 1.00 0.32 C ATOM 761 C LYS A 54 6.430 3.017 9.118 1.00 0.30 C ATOM 762 O LYS A 54 7.119 3.558 8.256 1.00 0.34 O ATOM 763 CB LYS A 54 7.581 3.058 11.421 1.00 0.47 C ATOM 764 CG LYS A 54 8.221 4.400 11.074 1.00 2.07 C ATOM 765 CD LYS A 54 7.195 5.521 10.874 1.00 3.42 C ATOM 766 CE LYS A 54 7.797 6.813 11.419 1.00 4.74 C ATOM 767 NZ LYS A 54 7.464 7.017 12.846 1.00 4.90 N ATOM 0 H LYS A 54 8.803 1.926 9.056 1.00 0.35 H new ATOM 0 HA LYS A 54 6.298 1.582 10.625 1.00 0.32 H new ATOM 0 HB2 LYS A 54 6.737 3.241 12.086 1.00 0.47 H new ATOM 0 HB3 LYS A 54 8.305 2.466 11.980 1.00 0.47 H new ATOM 0 HG2 LYS A 54 8.910 4.684 11.869 1.00 2.07 H new ATOM 0 HG3 LYS A 54 8.812 4.290 10.165 1.00 2.07 H new ATOM 0 HD2 LYS A 54 6.951 5.630 9.817 1.00 3.42 H new ATOM 0 HD3 LYS A 54 6.266 5.285 11.393 1.00 3.42 H new ATOM 0 HE2 LYS A 54 8.880 6.788 11.299 1.00 4.74 H new ATOM 0 HE3 LYS A 54 7.431 7.658 10.836 1.00 4.74 H new ATOM 0 HZ1 LYS A 54 7.891 7.905 13.179 1.00 4.90 H new ATOM 0 HZ2 LYS A 54 6.431 7.066 12.958 1.00 4.90 H new ATOM 0 HZ3 LYS A 54 7.835 6.223 13.406 1.00 4.90 H new ATOM 781 N ALA A 55 5.102 3.094 9.136 1.00 0.29 N ATOM 782 CA ALA A 55 4.352 3.967 8.246 1.00 0.30 C ATOM 783 C ALA A 55 3.988 5.231 9.023 1.00 0.33 C ATOM 784 O ALA A 55 3.888 5.197 10.250 1.00 0.41 O ATOM 785 CB ALA A 55 3.096 3.238 7.755 1.00 0.33 C ATOM 0 H ALA A 55 4.517 2.550 9.771 1.00 0.29 H new ATOM 0 HA ALA A 55 4.944 4.238 7.372 1.00 0.30 H new ATOM 0 HB1 ALA A 55 2.533 3.891 7.088 1.00 0.33 H new ATOM 0 HB2 ALA A 55 3.386 2.335 7.218 1.00 0.33 H new ATOM 0 HB3 ALA A 55 2.474 2.969 8.609 1.00 0.33 H new ATOM 791 N ARG A 56 3.775 6.352 8.334 1.00 0.35 N ATOM 792 CA ARG A 56 3.244 7.559 8.951 1.00 0.45 C ATOM 793 C ARG A 56 2.262 8.192 7.975 1.00 0.36 C ATOM 794 O ARG A 56 2.504 8.201 6.775 1.00 0.41 O ATOM 795 CB ARG A 56 4.400 8.501 9.306 1.00 0.78 C ATOM 796 CG ARG A 56 3.903 9.758 10.028 1.00 1.47 C ATOM 797 CD ARG A 56 5.101 10.546 10.568 1.00 1.77 C ATOM 798 NE ARG A 56 4.698 11.816 11.190 1.00 2.61 N ATOM 799 CZ ARG A 56 4.185 11.971 12.418 1.00 3.60 C ATOM 800 NH1 ARG A 56 3.960 13.194 12.897 1.00 4.39 N ATOM 801 NH2 ARG A 56 3.900 10.906 13.170 1.00 4.63 N ATOM 0 H ARG A 56 3.966 6.445 7.336 1.00 0.35 H new ATOM 0 HA ARG A 56 2.717 7.335 9.878 1.00 0.45 H new ATOM 0 HB2 ARG A 56 5.116 7.977 9.939 1.00 0.78 H new ATOM 0 HB3 ARG A 56 4.928 8.788 8.397 1.00 0.78 H new ATOM 0 HG2 ARG A 56 3.325 10.379 9.343 1.00 1.47 H new ATOM 0 HG3 ARG A 56 3.238 9.481 10.846 1.00 1.47 H new ATOM 0 HD2 ARG A 56 5.633 9.938 11.300 1.00 1.77 H new ATOM 0 HD3 ARG A 56 5.798 10.747 9.754 1.00 1.77 H new ATOM 0 HE ARG A 56 4.821 12.661 10.632 1.00 2.61 H new ATOM 0 HH11 ARG A 56 4.178 14.012 12.329 1.00 4.39 H new ATOM 0 HH12 ARG A 56 3.569 13.312 13.832 1.00 4.39 H new ATOM 0 HH21 ARG A 56 4.073 9.967 12.811 1.00 4.63 H new ATOM 0 HH22 ARG A 56 3.510 11.031 14.104 1.00 4.63 H new ATOM 815 N LEU A 57 1.135 8.692 8.476 1.00 0.36 N ATOM 816 CA LEU A 57 0.153 9.365 7.640 1.00 0.42 C ATOM 817 C LEU A 57 0.543 10.816 7.407 1.00 0.52 C ATOM 818 O LEU A 57 1.189 11.426 8.258 1.00 0.62 O ATOM 819 CB LEU A 57 -1.247 9.227 8.252 1.00 0.53 C ATOM 820 CG LEU A 57 -1.429 9.937 9.605 1.00 0.86 C ATOM 821 CD1 LEU A 57 -2.295 11.188 9.445 1.00 1.78 C ATOM 822 CD2 LEU A 57 -2.102 8.986 10.598 1.00 1.25 C ATOM 0 H LEU A 57 0.881 8.642 9.463 1.00 0.36 H new ATOM 0 HA LEU A 57 0.130 8.886 6.661 1.00 0.42 H new ATOM 0 HB2 LEU A 57 -1.978 9.624 7.547 1.00 0.53 H new ATOM 0 HB3 LEU A 57 -1.470 8.168 8.380 1.00 0.53 H new ATOM 0 HG LEU A 57 -0.447 10.230 9.976 1.00 0.86 H new ATOM 0 HD11 LEU A 57 -2.412 11.676 10.413 1.00 1.78 H new ATOM 0 HD12 LEU A 57 -1.816 11.875 8.748 1.00 1.78 H new ATOM 0 HD13 LEU A 57 -3.275 10.905 9.060 1.00 1.78 H new ATOM 0 HD21 LEU A 57 -2.230 9.491 11.556 1.00 1.25 H new ATOM 0 HD22 LEU A 57 -3.077 8.687 10.212 1.00 1.25 H new ATOM 0 HD23 LEU A 57 -1.479 8.102 10.734 1.00 1.25 H new ATOM 834 N VAL A 58 0.128 11.372 6.268 1.00 0.61 N ATOM 835 CA VAL A 58 0.402 12.741 5.892 1.00 0.76 C ATOM 836 C VAL A 58 -0.942 13.461 5.816 1.00 0.74 C ATOM 837 O VAL A 58 -1.892 12.995 5.180 1.00 0.70 O ATOM 838 CB VAL A 58 1.219 12.792 4.585 1.00 0.93 C ATOM 839 CG1 VAL A 58 2.483 11.933 4.711 1.00 1.41 C ATOM 840 CG2 VAL A 58 0.447 12.324 3.349 1.00 1.08 C ATOM 0 H VAL A 58 -0.419 10.864 5.573 1.00 0.61 H new ATOM 0 HA VAL A 58 1.025 13.251 6.627 1.00 0.76 H new ATOM 0 HB VAL A 58 1.465 13.844 4.442 1.00 0.93 H new ATOM 0 HG11 VAL A 58 3.049 11.979 3.780 1.00 1.41 H new ATOM 0 HG12 VAL A 58 3.098 12.309 5.529 1.00 1.41 H new ATOM 0 HG13 VAL A 58 2.202 10.900 4.913 1.00 1.41 H new ATOM 0 HG21 VAL A 58 1.090 12.390 2.472 1.00 1.08 H new ATOM 0 HG22 VAL A 58 0.128 11.291 3.489 1.00 1.08 H new ATOM 0 HG23 VAL A 58 -0.428 12.957 3.205 1.00 1.08 H new ATOM 850 N LYS A 59 -1.053 14.580 6.529 1.00 0.89 N ATOM 851 CA LYS A 59 -2.256 15.390 6.500 1.00 0.94 C ATOM 852 C LYS A 59 -2.165 16.278 5.276 1.00 0.91 C ATOM 853 O LYS A 59 -1.462 17.281 5.311 1.00 1.27 O ATOM 854 CB LYS A 59 -2.350 16.234 7.773 1.00 1.35 C ATOM 855 CG LYS A 59 -2.836 15.355 8.926 1.00 2.15 C ATOM 856 CD LYS A 59 -2.595 16.038 10.270 1.00 2.67 C ATOM 857 CE LYS A 59 -3.281 15.195 11.344 1.00 4.41 C ATOM 858 NZ LYS A 59 -2.731 15.458 12.691 1.00 5.29 N ATOM 0 H LYS A 59 -0.317 14.943 7.135 1.00 0.89 H new ATOM 0 HA LYS A 59 -3.148 14.766 6.453 1.00 0.94 H new ATOM 0 HB2 LYS A 59 -1.377 16.662 8.012 1.00 1.35 H new ATOM 0 HB3 LYS A 59 -3.036 17.067 7.621 1.00 1.35 H new ATOM 0 HG2 LYS A 59 -3.899 15.145 8.806 1.00 2.15 H new ATOM 0 HG3 LYS A 59 -2.317 14.397 8.902 1.00 2.15 H new ATOM 0 HD2 LYS A 59 -1.527 16.121 10.472 1.00 2.67 H new ATOM 0 HD3 LYS A 59 -2.997 17.051 10.263 1.00 2.67 H new ATOM 0 HE2 LYS A 59 -4.350 15.406 11.342 1.00 4.41 H new ATOM 0 HE3 LYS A 59 -3.164 14.138 11.105 1.00 4.41 H new ATOM 0 HZ1 LYS A 59 -3.224 14.866 13.389 1.00 5.29 H new ATOM 0 HZ2 LYS A 59 -1.716 15.233 12.701 1.00 5.29 H new ATOM 0 HZ3 LYS A 59 -2.866 16.461 12.931 1.00 5.29 H new ATOM 872 N GLY A 60 -2.884 15.920 4.216 1.00 0.74 N ATOM 873 CA GLY A 60 -3.030 16.773 3.063 1.00 0.85 C ATOM 874 C GLY A 60 -4.448 17.318 3.093 1.00 0.74 C ATOM 875 O GLY A 60 -5.396 16.557 3.275 1.00 0.75 O ATOM 0 H GLY A 60 -3.377 15.030 4.142 1.00 0.74 H new ATOM 0 HA2 GLY A 60 -2.304 17.585 3.089 1.00 0.85 H new ATOM 0 HA3 GLY A 60 -2.850 16.214 2.144 1.00 0.85 H new ATOM 879 N ALA A 61 -4.610 18.625 2.902 1.00 0.84 N ATOM 880 CA ALA A 61 -5.923 19.257 2.878 1.00 0.92 C ATOM 881 C ALA A 61 -6.822 18.635 1.807 1.00 0.81 C ATOM 882 O ALA A 61 -8.038 18.598 1.964 1.00 0.88 O ATOM 883 CB ALA A 61 -5.775 20.765 2.662 1.00 1.15 C ATOM 0 H ALA A 61 -3.835 19.273 2.760 1.00 0.84 H new ATOM 0 HA ALA A 61 -6.403 19.087 3.842 1.00 0.92 H new ATOM 0 HB1 ALA A 61 -6.761 21.229 2.645 1.00 1.15 H new ATOM 0 HB2 ALA A 61 -5.186 21.193 3.474 1.00 1.15 H new ATOM 0 HB3 ALA A 61 -5.272 20.949 1.713 1.00 1.15 H new ATOM 889 N ALA A 62 -6.226 18.137 0.720 1.00 0.73 N ATOM 890 CA ALA A 62 -6.963 17.469 -0.339 1.00 0.74 C ATOM 891 C ALA A 62 -7.612 16.181 0.183 1.00 0.72 C ATOM 892 O ALA A 62 -8.797 15.954 -0.045 1.00 0.80 O ATOM 893 CB ALA A 62 -6.023 17.187 -1.516 1.00 0.77 C ATOM 0 H ALA A 62 -5.221 18.189 0.556 1.00 0.73 H new ATOM 0 HA ALA A 62 -7.767 18.119 -0.686 1.00 0.74 H new ATOM 0 HB1 ALA A 62 -6.575 16.686 -2.311 1.00 0.77 H new ATOM 0 HB2 ALA A 62 -5.619 18.127 -1.892 1.00 0.77 H new ATOM 0 HB3 ALA A 62 -5.205 16.547 -1.183 1.00 0.77 H new ATOM 899 N LYS A 63 -6.844 15.315 0.856 1.00 0.64 N ATOM 900 CA LYS A 63 -7.377 14.138 1.534 1.00 0.63 C ATOM 901 C LYS A 63 -6.316 13.626 2.508 1.00 0.57 C ATOM 902 O LYS A 63 -5.130 13.891 2.329 1.00 0.58 O ATOM 903 CB LYS A 63 -7.762 13.057 0.502 1.00 0.72 C ATOM 904 CG LYS A 63 -8.589 11.892 1.070 1.00 1.48 C ATOM 905 CD LYS A 63 -9.980 12.341 1.536 1.00 2.18 C ATOM 906 CE LYS A 63 -10.685 11.170 2.223 1.00 3.11 C ATOM 907 NZ LYS A 63 -12.039 11.540 2.686 1.00 3.65 N ATOM 0 H LYS A 63 -5.833 15.416 0.943 1.00 0.64 H new ATOM 0 HA LYS A 63 -8.281 14.393 2.088 1.00 0.63 H new ATOM 0 HB2 LYS A 63 -8.327 13.527 -0.303 1.00 0.72 H new ATOM 0 HB3 LYS A 63 -6.850 12.656 0.059 1.00 0.72 H new ATOM 0 HG2 LYS A 63 -8.695 11.119 0.309 1.00 1.48 H new ATOM 0 HG3 LYS A 63 -8.054 11.444 1.907 1.00 1.48 H new ATOM 0 HD2 LYS A 63 -9.892 13.182 2.224 1.00 2.18 H new ATOM 0 HD3 LYS A 63 -10.568 12.686 0.685 1.00 2.18 H new ATOM 0 HE2 LYS A 63 -10.754 10.331 1.531 1.00 3.11 H new ATOM 0 HE3 LYS A 63 -10.089 10.835 3.072 1.00 3.11 H new ATOM 0 HZ1 LYS A 63 -12.485 10.721 3.146 1.00 3.65 H new ATOM 0 HZ2 LYS A 63 -11.971 12.324 3.366 1.00 3.65 H new ATOM 0 HZ3 LYS A 63 -12.615 11.836 1.872 1.00 3.65 H new ATOM 921 N HIS A 64 -6.726 12.864 3.523 1.00 0.62 N ATOM 922 CA HIS A 64 -5.790 12.163 4.387 1.00 0.60 C ATOM 923 C HIS A 64 -5.139 11.041 3.580 1.00 0.55 C ATOM 924 O HIS A 64 -5.853 10.214 3.012 1.00 0.65 O ATOM 925 CB HIS A 64 -6.534 11.564 5.591 1.00 0.67 C ATOM 926 CG HIS A 64 -7.512 12.494 6.266 1.00 1.02 C ATOM 927 ND1 HIS A 64 -8.677 12.103 6.890 1.00 1.59 N ATOM 928 CD2 HIS A 64 -7.435 13.860 6.342 1.00 1.07 C ATOM 929 CE1 HIS A 64 -9.290 13.216 7.330 1.00 1.94 C ATOM 930 NE2 HIS A 64 -8.574 14.307 7.016 1.00 1.60 N ATOM 0 H HIS A 64 -7.707 12.720 3.763 1.00 0.62 H new ATOM 0 HA HIS A 64 -5.033 12.856 4.753 1.00 0.60 H new ATOM 0 HB2 HIS A 64 -7.071 10.675 5.261 1.00 0.67 H new ATOM 0 HB3 HIS A 64 -5.799 11.238 6.327 1.00 0.67 H new ATOM 0 HD2 HIS A 64 -6.640 14.478 5.952 1.00 1.07 H new ATOM 0 HE1 HIS A 64 -10.229 13.230 7.863 1.00 1.94 H new ATOM 0 HE2 HIS A 64 -8.815 15.275 7.228 1.00 1.60 H new ATOM 938 N ILE A 65 -3.807 10.986 3.541 1.00 0.48 N ATOM 939 CA ILE A 65 -3.073 9.918 2.873 1.00 0.45 C ATOM 940 C ILE A 65 -2.265 9.200 3.949 1.00 0.42 C ATOM 941 O ILE A 65 -1.924 9.788 4.971 1.00 0.52 O ATOM 942 CB ILE A 65 -2.214 10.499 1.724 1.00 0.51 C ATOM 943 CG1 ILE A 65 -2.981 10.657 0.403 1.00 0.68 C ATOM 944 CG2 ILE A 65 -1.027 9.623 1.332 1.00 0.74 C ATOM 945 CD1 ILE A 65 -4.015 11.760 0.435 1.00 0.82 C ATOM 0 H ILE A 65 -3.206 11.687 3.975 1.00 0.48 H new ATOM 0 HA ILE A 65 -3.733 9.194 2.395 1.00 0.45 H new ATOM 0 HB ILE A 65 -1.902 11.454 2.147 1.00 0.51 H new ATOM 0 HG12 ILE A 65 -2.271 10.859 -0.399 1.00 0.68 H new ATOM 0 HG13 ILE A 65 -3.474 9.715 0.163 1.00 0.68 H new ATOM 0 HG21 ILE A 65 -0.476 10.099 0.521 1.00 0.74 H new ATOM 0 HG22 ILE A 65 -0.369 9.495 2.192 1.00 0.74 H new ATOM 0 HG23 ILE A 65 -1.387 8.648 1.003 1.00 0.74 H new ATOM 0 HD11 ILE A 65 -4.518 11.815 -0.530 1.00 0.82 H new ATOM 0 HD12 ILE A 65 -4.747 11.550 1.214 1.00 0.82 H new ATOM 0 HD13 ILE A 65 -3.526 12.711 0.644 1.00 0.82 H new ATOM 957 N ILE A 66 -1.944 7.928 3.726 1.00 0.39 N ATOM 958 CA ILE A 66 -1.066 7.149 4.576 1.00 0.35 C ATOM 959 C ILE A 66 0.181 6.884 3.738 1.00 0.40 C ATOM 960 O ILE A 66 0.057 6.611 2.546 1.00 0.48 O ATOM 961 CB ILE A 66 -1.741 5.841 5.023 1.00 0.34 C ATOM 962 CG1 ILE A 66 -3.214 5.998 5.454 1.00 0.41 C ATOM 963 CG2 ILE A 66 -0.931 5.181 6.148 1.00 0.37 C ATOM 964 CD1 ILE A 66 -3.423 6.920 6.656 1.00 0.41 C ATOM 0 H ILE A 66 -2.300 7.403 2.927 1.00 0.39 H new ATOM 0 HA ILE A 66 -0.819 7.679 5.496 1.00 0.35 H new ATOM 0 HB ILE A 66 -1.755 5.202 4.140 1.00 0.34 H new ATOM 0 HG12 ILE A 66 -3.788 6.383 4.611 1.00 0.41 H new ATOM 0 HG13 ILE A 66 -3.618 5.014 5.691 1.00 0.41 H new ATOM 0 HG21 ILE A 66 -1.420 4.256 6.454 1.00 0.37 H new ATOM 0 HG22 ILE A 66 0.074 4.958 5.790 1.00 0.37 H new ATOM 0 HG23 ILE A 66 -0.871 5.859 6.999 1.00 0.37 H new ATOM 0 HD11 ILE A 66 -4.486 6.974 6.892 1.00 0.41 H new ATOM 0 HD12 ILE A 66 -2.880 6.526 7.515 1.00 0.41 H new ATOM 0 HD13 ILE A 66 -3.053 7.917 6.418 1.00 0.41 H new ATOM 976 N HIS A 67 1.370 6.956 4.330 1.00 0.40 N ATOM 977 CA HIS A 67 2.622 6.713 3.627 1.00 0.48 C ATOM 978 C HIS A 67 3.331 5.571 4.336 1.00 0.44 C ATOM 979 O HIS A 67 3.484 5.602 5.554 1.00 0.47 O ATOM 980 CB HIS A 67 3.489 7.983 3.618 1.00 0.60 C ATOM 981 CG HIS A 67 3.467 8.766 2.330 1.00 1.04 C ATOM 982 ND1 HIS A 67 4.490 9.565 1.867 1.00 1.74 N ATOM 983 CD2 HIS A 67 2.471 8.782 1.393 1.00 1.66 C ATOM 984 CE1 HIS A 67 4.116 10.037 0.664 1.00 2.30 C ATOM 985 NE2 HIS A 67 2.894 9.589 0.333 1.00 2.30 N ATOM 0 H HIS A 67 1.490 7.186 5.316 1.00 0.40 H new ATOM 0 HA HIS A 67 2.434 6.447 2.587 1.00 0.48 H new ATOM 0 HB2 HIS A 67 3.159 8.635 4.427 1.00 0.60 H new ATOM 0 HB3 HIS A 67 4.519 7.702 3.836 1.00 0.60 H new ATOM 0 HD2 HIS A 67 1.526 8.263 1.460 1.00 1.66 H new ATOM 0 HE1 HIS A 67 4.718 10.688 0.047 1.00 2.30 H new ATOM 0 HE2 HIS A 67 2.377 9.796 -0.522 1.00 2.30 H new ATOM 993 N ALA A 68 3.759 4.555 3.589 1.00 0.49 N ATOM 994 CA ALA A 68 4.341 3.354 4.167 1.00 0.49 C ATOM 995 C ALA A 68 5.628 2.973 3.448 1.00 0.37 C ATOM 996 O ALA A 68 5.920 3.453 2.352 1.00 0.47 O ATOM 997 CB ALA A 68 3.314 2.221 4.117 1.00 0.63 C ATOM 0 H ALA A 68 3.711 4.545 2.570 1.00 0.49 H new ATOM 0 HA ALA A 68 4.602 3.544 5.208 1.00 0.49 H new ATOM 0 HB1 ALA A 68 3.746 1.319 4.549 1.00 0.63 H new ATOM 0 HB2 ALA A 68 2.429 2.507 4.685 1.00 0.63 H new ATOM 0 HB3 ALA A 68 3.034 2.029 3.081 1.00 0.63 H new ATOM 1003 N VAL A 69 6.410 2.093 4.065 1.00 0.48 N ATOM 1004 CA VAL A 69 7.672 1.643 3.547 1.00 0.62 C ATOM 1005 C VAL A 69 7.491 0.173 3.210 1.00 0.65 C ATOM 1006 O VAL A 69 7.274 -0.641 4.100 1.00 0.69 O ATOM 1007 CB VAL A 69 8.727 1.912 4.625 1.00 0.76 C ATOM 1008 CG1 VAL A 69 10.022 1.185 4.279 1.00 1.52 C ATOM 1009 CG2 VAL A 69 8.903 3.428 4.795 1.00 1.38 C ATOM 0 H VAL A 69 6.166 1.670 4.961 1.00 0.48 H new ATOM 0 HA VAL A 69 8.003 2.156 2.644 1.00 0.62 H new ATOM 0 HB VAL A 69 8.403 1.518 5.589 1.00 0.76 H new ATOM 0 HG11 VAL A 69 10.767 1.381 5.050 1.00 1.52 H new ATOM 0 HG12 VAL A 69 9.833 0.113 4.221 1.00 1.52 H new ATOM 0 HG13 VAL A 69 10.393 1.540 3.318 1.00 1.52 H new ATOM 0 HG21 VAL A 69 9.653 3.624 5.561 1.00 1.38 H new ATOM 0 HG22 VAL A 69 9.227 3.865 3.850 1.00 1.38 H new ATOM 0 HG23 VAL A 69 7.954 3.873 5.094 1.00 1.38 H new ATOM 1019 N GLY A 70 7.539 -0.158 1.921 1.00 0.89 N ATOM 1020 CA GLY A 70 7.459 -1.530 1.466 1.00 1.12 C ATOM 1021 C GLY A 70 8.876 -2.065 1.312 1.00 1.29 C ATOM 1022 O GLY A 70 9.748 -1.357 0.802 1.00 1.33 O ATOM 0 H GLY A 70 7.635 0.524 1.168 1.00 0.89 H new ATOM 0 HA2 GLY A 70 6.900 -2.135 2.180 1.00 1.12 H new ATOM 0 HA3 GLY A 70 6.927 -1.585 0.516 1.00 1.12 H new ATOM 1026 N PRO A 71 9.135 -3.308 1.728 1.00 1.79 N ATOM 1027 CA PRO A 71 10.419 -3.931 1.496 1.00 2.08 C ATOM 1028 C PRO A 71 10.588 -4.233 0.017 1.00 1.69 C ATOM 1029 O PRO A 71 9.665 -4.106 -0.786 1.00 1.47 O ATOM 1030 CB PRO A 71 10.410 -5.213 2.317 1.00 2.81 C ATOM 1031 CG PRO A 71 8.929 -5.576 2.368 1.00 2.85 C ATOM 1032 CD PRO A 71 8.218 -4.223 2.380 1.00 2.26 C ATOM 0 HA PRO A 71 11.248 -3.285 1.786 1.00 2.08 H new ATOM 0 HB2 PRO A 71 11.002 -5.998 1.847 1.00 2.81 H new ATOM 0 HB3 PRO A 71 10.822 -5.057 3.314 1.00 2.81 H new ATOM 0 HG2 PRO A 71 8.635 -6.174 1.506 1.00 2.85 H new ATOM 0 HG3 PRO A 71 8.691 -6.160 3.257 1.00 2.85 H new ATOM 0 HD2 PRO A 71 7.267 -4.273 1.849 1.00 2.26 H new ATOM 0 HD3 PRO A 71 7.998 -3.902 3.398 1.00 2.26 H new ATOM 1040 N ASN A 72 11.791 -4.659 -0.347 1.00 1.79 N ATOM 1041 CA ASN A 72 12.141 -4.930 -1.715 1.00 1.57 C ATOM 1042 C ASN A 72 12.925 -6.228 -1.696 1.00 1.56 C ATOM 1043 O ASN A 72 14.131 -6.202 -1.506 1.00 1.60 O ATOM 1044 CB ASN A 72 12.919 -3.743 -2.315 1.00 1.60 C ATOM 1045 CG ASN A 72 14.079 -3.231 -1.466 1.00 2.42 C ATOM 1046 OD1 ASN A 72 15.239 -3.393 -1.813 1.00 3.49 O ATOM 1047 ND2 ASN A 72 13.791 -2.545 -0.366 1.00 3.63 N ATOM 0 H ASN A 72 12.551 -4.824 0.313 1.00 1.79 H new ATOM 0 HA ASN A 72 11.269 -5.045 -2.359 1.00 1.57 H new ATOM 0 HB2 ASN A 72 13.306 -4.039 -3.290 1.00 1.60 H new ATOM 0 HB3 ASN A 72 12.223 -2.921 -2.484 1.00 1.60 H new ATOM 0 HD21 ASN A 72 14.542 -2.147 0.198 1.00 3.63 H new ATOM 0 HD22 ASN A 72 12.819 -2.416 -0.085 1.00 3.63 H new ATOM 1054 N PHE A 73 12.245 -7.367 -1.855 1.00 1.56 N ATOM 1055 CA PHE A 73 12.884 -8.683 -1.815 1.00 1.63 C ATOM 1056 C PHE A 73 14.021 -8.785 -2.840 1.00 1.70 C ATOM 1057 O PHE A 73 14.972 -9.533 -2.647 1.00 1.78 O ATOM 1058 CB PHE A 73 11.844 -9.792 -2.008 1.00 1.68 C ATOM 1059 CG PHE A 73 10.809 -9.888 -0.901 1.00 2.57 C ATOM 1060 CD1 PHE A 73 9.517 -9.353 -1.074 1.00 3.73 C ATOM 1061 CD2 PHE A 73 11.131 -10.551 0.298 1.00 3.54 C ATOM 1062 CE1 PHE A 73 8.557 -9.478 -0.055 1.00 5.16 C ATOM 1063 CE2 PHE A 73 10.164 -10.696 1.309 1.00 4.93 C ATOM 1064 CZ PHE A 73 8.879 -10.152 1.136 1.00 5.58 C ATOM 0 H PHE A 73 11.238 -7.402 -2.015 1.00 1.56 H new ATOM 0 HA PHE A 73 13.333 -8.814 -0.830 1.00 1.63 H new ATOM 0 HB2 PHE A 73 11.330 -9.629 -2.955 1.00 1.68 H new ATOM 0 HB3 PHE A 73 12.362 -10.748 -2.087 1.00 1.68 H new ATOM 0 HD1 PHE A 73 9.263 -8.845 -1.993 1.00 3.73 H new ATOM 0 HD2 PHE A 73 12.124 -10.950 0.442 1.00 3.54 H new ATOM 0 HE1 PHE A 73 7.572 -9.056 -0.187 1.00 5.16 H new ATOM 0 HE2 PHE A 73 10.408 -11.225 2.218 1.00 4.93 H new ATOM 0 HZ PHE A 73 8.140 -10.252 1.917 1.00 5.58 H new ATOM 1074 N ASN A 74 13.980 -7.981 -3.902 1.00 1.70 N ATOM 1075 CA ASN A 74 15.038 -7.912 -4.901 1.00 1.81 C ATOM 1076 C ASN A 74 16.406 -7.568 -4.297 1.00 1.81 C ATOM 1077 O ASN A 74 17.444 -7.893 -4.867 1.00 1.88 O ATOM 1078 CB ASN A 74 14.626 -6.884 -5.963 1.00 1.89 C ATOM 1079 CG ASN A 74 15.385 -7.040 -7.270 1.00 2.33 C ATOM 1080 OD1 ASN A 74 15.840 -8.118 -7.621 1.00 3.30 O ATOM 1081 ND2 ASN A 74 15.465 -5.975 -8.058 1.00 2.18 N ATOM 0 H ASN A 74 13.200 -7.352 -4.092 1.00 1.70 H new ATOM 0 HA ASN A 74 15.158 -8.897 -5.352 1.00 1.81 H new ATOM 0 HB2 ASN A 74 13.558 -6.979 -6.157 1.00 1.89 H new ATOM 0 HB3 ASN A 74 14.791 -5.880 -5.572 1.00 1.89 H new ATOM 0 HD21 ASN A 74 15.912 -6.049 -8.972 1.00 2.18 H new ATOM 0 HD22 ASN A 74 15.080 -5.082 -7.750 1.00 2.18 H new ATOM 1088 N LYS A 75 16.422 -6.895 -3.144 1.00 1.78 N ATOM 1089 CA LYS A 75 17.625 -6.530 -2.406 1.00 1.78 C ATOM 1090 C LYS A 75 17.438 -6.787 -0.905 1.00 1.67 C ATOM 1091 O LYS A 75 18.172 -6.226 -0.096 1.00 1.67 O ATOM 1092 CB LYS A 75 17.929 -5.052 -2.703 1.00 1.85 C ATOM 1093 CG LYS A 75 18.956 -4.850 -3.822 1.00 1.88 C ATOM 1094 CD LYS A 75 20.372 -5.202 -3.353 1.00 2.99 C ATOM 1095 CE LYS A 75 21.389 -4.546 -4.290 1.00 2.85 C ATOM 1096 NZ LYS A 75 22.774 -4.709 -3.800 1.00 4.46 N ATOM 0 H LYS A 75 15.567 -6.580 -2.686 1.00 1.78 H new ATOM 0 HA LYS A 75 18.470 -7.142 -2.721 1.00 1.78 H new ATOM 0 HB2 LYS A 75 17.002 -4.547 -2.976 1.00 1.85 H new ATOM 0 HB3 LYS A 75 18.296 -4.575 -1.794 1.00 1.85 H new ATOM 0 HG2 LYS A 75 18.690 -5.470 -4.678 1.00 1.88 H new ATOM 0 HG3 LYS A 75 18.930 -3.814 -4.159 1.00 1.88 H new ATOM 0 HD2 LYS A 75 20.526 -4.857 -2.331 1.00 2.99 H new ATOM 0 HD3 LYS A 75 20.508 -6.283 -3.348 1.00 2.99 H new ATOM 0 HE2 LYS A 75 21.302 -4.984 -5.284 1.00 2.85 H new ATOM 0 HE3 LYS A 75 21.161 -3.485 -4.388 1.00 2.85 H new ATOM 0 HZ1 LYS A 75 23.433 -4.251 -4.462 1.00 4.46 H new ATOM 0 HZ2 LYS A 75 22.864 -4.269 -2.862 1.00 4.46 H new ATOM 0 HZ3 LYS A 75 23.001 -5.722 -3.731 1.00 4.46 H new ATOM 1110 N VAL A 76 16.501 -7.655 -0.519 1.00 1.62 N ATOM 1111 CA VAL A 76 16.208 -7.952 0.884 1.00 1.57 C ATOM 1112 C VAL A 76 16.011 -9.461 1.010 1.00 1.56 C ATOM 1113 O VAL A 76 15.348 -10.062 0.170 1.00 1.70 O ATOM 1114 CB VAL A 76 14.957 -7.171 1.339 1.00 1.65 C ATOM 1115 CG1 VAL A 76 14.510 -7.567 2.740 1.00 1.23 C ATOM 1116 CG2 VAL A 76 15.200 -5.664 1.408 1.00 1.95 C ATOM 0 H VAL A 76 15.920 -8.175 -1.176 1.00 1.62 H new ATOM 0 HA VAL A 76 17.030 -7.642 1.530 1.00 1.57 H new ATOM 0 HB VAL A 76 14.203 -7.417 0.591 1.00 1.65 H new ATOM 0 HG11 VAL A 76 13.627 -6.991 3.016 1.00 1.23 H new ATOM 0 HG12 VAL A 76 14.270 -8.630 2.759 1.00 1.23 H new ATOM 0 HG13 VAL A 76 15.312 -7.363 3.449 1.00 1.23 H new ATOM 0 HG21 VAL A 76 14.288 -5.163 1.733 1.00 1.95 H new ATOM 0 HG22 VAL A 76 16.001 -5.457 2.118 1.00 1.95 H new ATOM 0 HG23 VAL A 76 15.485 -5.296 0.422 1.00 1.95 H new ATOM 1126 N SER A 77 16.570 -10.097 2.045 1.00 1.45 N ATOM 1127 CA SER A 77 16.410 -11.520 2.242 1.00 1.46 C ATOM 1128 C SER A 77 14.954 -11.777 2.585 1.00 1.41 C ATOM 1129 O SER A 77 14.339 -10.955 3.253 1.00 1.35 O ATOM 1130 CB SER A 77 17.297 -11.944 3.415 1.00 1.46 C ATOM 1131 OG SER A 77 18.595 -11.408 3.257 1.00 1.46 O ATOM 0 H SER A 77 17.138 -9.636 2.756 1.00 1.45 H new ATOM 0 HA SER A 77 16.690 -12.081 1.350 1.00 1.46 H new ATOM 0 HB2 SER A 77 16.863 -11.598 4.353 1.00 1.46 H new ATOM 0 HB3 SER A 77 17.348 -13.031 3.469 1.00 1.46 H new ATOM 0 HG SER A 77 19.156 -11.682 4.012 1.00 1.46 H new ATOM 1137 N GLU A 78 14.418 -12.940 2.226 1.00 1.44 N ATOM 1138 CA GLU A 78 13.042 -13.313 2.537 1.00 1.40 C ATOM 1139 C GLU A 78 12.709 -13.077 4.009 1.00 1.34 C ATOM 1140 O GLU A 78 11.591 -12.703 4.338 1.00 1.23 O ATOM 1141 CB GLU A 78 12.817 -14.780 2.159 1.00 1.49 C ATOM 1142 CG GLU A 78 12.417 -14.886 0.682 1.00 1.41 C ATOM 1143 CD GLU A 78 12.316 -16.334 0.193 1.00 2.10 C ATOM 1144 OE1 GLU A 78 12.572 -17.248 1.007 1.00 3.10 O ATOM 1145 OE2 GLU A 78 11.997 -16.503 -1.005 1.00 2.91 O ATOM 0 H GLU A 78 14.930 -13.654 1.708 1.00 1.44 H new ATOM 0 HA GLU A 78 12.373 -12.679 1.954 1.00 1.40 H new ATOM 0 HB2 GLU A 78 13.726 -15.354 2.340 1.00 1.49 H new ATOM 0 HB3 GLU A 78 12.037 -15.210 2.787 1.00 1.49 H new ATOM 0 HG2 GLU A 78 11.457 -14.391 0.534 1.00 1.41 H new ATOM 0 HG3 GLU A 78 13.148 -14.353 0.074 1.00 1.41 H new ATOM 1152 N VAL A 79 13.681 -13.269 4.900 1.00 1.42 N ATOM 1153 CA VAL A 79 13.433 -13.190 6.335 1.00 1.47 C ATOM 1154 C VAL A 79 13.207 -11.740 6.748 1.00 1.30 C ATOM 1155 O VAL A 79 12.395 -11.450 7.629 1.00 1.22 O ATOM 1156 CB VAL A 79 14.612 -13.810 7.106 1.00 1.69 C ATOM 1157 CG1 VAL A 79 14.366 -13.783 8.620 1.00 1.90 C ATOM 1158 CG2 VAL A 79 14.832 -15.266 6.676 1.00 1.77 C ATOM 0 H VAL A 79 14.647 -13.480 4.651 1.00 1.42 H new ATOM 0 HA VAL A 79 12.533 -13.755 6.577 1.00 1.47 H new ATOM 0 HB VAL A 79 15.495 -13.214 6.874 1.00 1.69 H new ATOM 0 HG11 VAL A 79 15.217 -14.228 9.135 1.00 1.90 H new ATOM 0 HG12 VAL A 79 14.241 -12.752 8.950 1.00 1.90 H new ATOM 0 HG13 VAL A 79 13.465 -14.350 8.852 1.00 1.90 H new ATOM 0 HG21 VAL A 79 15.670 -15.687 7.232 1.00 1.77 H new ATOM 0 HG22 VAL A 79 13.932 -15.846 6.881 1.00 1.77 H new ATOM 0 HG23 VAL A 79 15.051 -15.301 5.609 1.00 1.77 H new ATOM 1168 N GLU A 80 13.967 -10.823 6.153 1.00 1.28 N ATOM 1169 CA GLU A 80 13.882 -9.424 6.522 1.00 1.16 C ATOM 1170 C GLU A 80 12.701 -8.789 5.819 1.00 0.96 C ATOM 1171 O GLU A 80 11.974 -8.034 6.445 1.00 0.97 O ATOM 1172 CB GLU A 80 15.208 -8.722 6.228 1.00 1.25 C ATOM 1173 CG GLU A 80 15.113 -7.231 6.564 1.00 1.22 C ATOM 1174 CD GLU A 80 16.504 -6.625 6.722 1.00 1.65 C ATOM 1175 OE1 GLU A 80 17.172 -6.454 5.678 1.00 3.09 O ATOM 1176 OE2 GLU A 80 16.882 -6.367 7.886 1.00 2.00 O ATOM 0 H GLU A 80 14.643 -11.028 5.418 1.00 1.28 H new ATOM 0 HA GLU A 80 13.710 -9.322 7.594 1.00 1.16 H new ATOM 0 HB2 GLU A 80 16.006 -9.182 6.811 1.00 1.25 H new ATOM 0 HB3 GLU A 80 15.467 -8.848 5.177 1.00 1.25 H new ATOM 0 HG2 GLU A 80 14.571 -6.709 5.775 1.00 1.22 H new ATOM 0 HG3 GLU A 80 14.545 -7.096 7.485 1.00 1.22 H new ATOM 1183 N GLY A 81 12.460 -9.104 4.550 1.00 0.84 N ATOM 1184 CA GLY A 81 11.299 -8.601 3.849 1.00 0.72 C ATOM 1185 C GLY A 81 10.001 -9.171 4.390 1.00 0.71 C ATOM 1186 O GLY A 81 8.986 -8.504 4.268 1.00 0.61 O ATOM 0 H GLY A 81 13.061 -9.709 3.990 1.00 0.84 H new ATOM 0 HA2 GLY A 81 11.275 -7.514 3.926 1.00 0.72 H new ATOM 0 HA3 GLY A 81 11.385 -8.843 2.790 1.00 0.72 H new ATOM 1190 N ASP A 82 9.983 -10.369 4.981 1.00 0.85 N ATOM 1191 CA ASP A 82 8.760 -10.854 5.617 1.00 0.94 C ATOM 1192 C ASP A 82 8.425 -9.936 6.786 1.00 0.86 C ATOM 1193 O ASP A 82 7.317 -9.415 6.890 1.00 0.80 O ATOM 1194 CB ASP A 82 8.912 -12.307 6.080 1.00 1.22 C ATOM 1195 CG ASP A 82 7.575 -12.872 6.559 1.00 1.72 C ATOM 1196 OD1 ASP A 82 6.858 -13.453 5.713 1.00 2.75 O ATOM 1197 OD2 ASP A 82 7.296 -12.728 7.768 1.00 1.91 O ATOM 0 H ASP A 82 10.779 -11.004 5.032 1.00 0.85 H new ATOM 0 HA ASP A 82 7.944 -10.838 4.895 1.00 0.94 H new ATOM 0 HB2 ASP A 82 9.295 -12.915 5.261 1.00 1.22 H new ATOM 0 HB3 ASP A 82 9.643 -12.361 6.886 1.00 1.22 H new ATOM 1202 N LYS A 83 9.419 -9.659 7.634 1.00 0.87 N ATOM 1203 CA LYS A 83 9.235 -8.789 8.786 1.00 0.76 C ATOM 1204 C LYS A 83 8.867 -7.388 8.353 1.00 0.60 C ATOM 1205 O LYS A 83 7.903 -6.846 8.863 1.00 0.54 O ATOM 1206 CB LYS A 83 10.490 -8.769 9.658 1.00 0.84 C ATOM 1207 CG LYS A 83 10.558 -10.085 10.432 1.00 1.08 C ATOM 1208 CD LYS A 83 11.914 -10.285 11.107 1.00 1.22 C ATOM 1209 CE LYS A 83 12.195 -11.788 11.090 1.00 2.52 C ATOM 1210 NZ LYS A 83 13.454 -12.125 11.784 1.00 3.42 N ATOM 0 H LYS A 83 10.364 -10.030 7.538 1.00 0.87 H new ATOM 0 HA LYS A 83 8.412 -9.189 9.379 1.00 0.76 H new ATOM 0 HB2 LYS A 83 11.380 -8.645 9.040 1.00 0.84 H new ATOM 0 HB3 LYS A 83 10.460 -7.925 10.347 1.00 0.84 H new ATOM 0 HG2 LYS A 83 9.772 -10.102 11.187 1.00 1.08 H new ATOM 0 HG3 LYS A 83 10.366 -10.915 9.752 1.00 1.08 H new ATOM 0 HD2 LYS A 83 12.695 -9.739 10.577 1.00 1.22 H new ATOM 0 HD3 LYS A 83 11.898 -9.906 12.129 1.00 1.22 H new ATOM 0 HE2 LYS A 83 11.368 -12.317 11.564 1.00 2.52 H new ATOM 0 HE3 LYS A 83 12.246 -12.135 10.058 1.00 2.52 H new ATOM 0 HZ1 LYS A 83 13.605 -13.153 11.749 1.00 3.42 H new ATOM 0 HZ2 LYS A 83 14.248 -11.642 11.317 1.00 3.42 H new ATOM 0 HZ3 LYS A 83 13.397 -11.818 12.776 1.00 3.42 H new ATOM 1224 N GLN A 84 9.609 -6.794 7.426 1.00 0.54 N ATOM 1225 CA GLN A 84 9.358 -5.439 6.965 1.00 0.45 C ATOM 1226 C GLN A 84 7.984 -5.364 6.315 1.00 0.41 C ATOM 1227 O GLN A 84 7.271 -4.376 6.475 1.00 0.40 O ATOM 1228 CB GLN A 84 10.442 -5.028 5.962 1.00 0.53 C ATOM 1229 CG GLN A 84 11.762 -4.641 6.637 1.00 1.60 C ATOM 1230 CD GLN A 84 11.547 -3.464 7.580 1.00 2.53 C ATOM 1231 OE1 GLN A 84 10.851 -2.515 7.238 1.00 2.37 O ATOM 1232 NE2 GLN A 84 12.103 -3.533 8.778 1.00 3.80 N ATOM 0 H GLN A 84 10.405 -7.243 6.973 1.00 0.54 H new ATOM 0 HA GLN A 84 9.384 -4.756 7.814 1.00 0.45 H new ATOM 0 HB2 GLN A 84 10.621 -5.851 5.270 1.00 0.53 H new ATOM 0 HB3 GLN A 84 10.082 -4.187 5.370 1.00 0.53 H new ATOM 0 HG2 GLN A 84 12.159 -5.492 7.191 1.00 1.60 H new ATOM 0 HG3 GLN A 84 12.502 -4.380 5.881 1.00 1.60 H new ATOM 0 HE21 GLN A 84 12.677 -4.338 9.028 1.00 3.80 H new ATOM 0 HE22 GLN A 84 11.958 -2.781 9.452 1.00 3.80 H new ATOM 1241 N LEU A 85 7.583 -6.405 5.586 1.00 0.46 N ATOM 1242 CA LEU A 85 6.268 -6.411 4.966 1.00 0.50 C ATOM 1243 C LEU A 85 5.206 -6.425 6.057 1.00 0.52 C ATOM 1244 O LEU A 85 4.205 -5.718 5.964 1.00 0.55 O ATOM 1245 CB LEU A 85 6.142 -7.611 4.020 1.00 0.58 C ATOM 1246 CG LEU A 85 4.838 -7.645 3.219 1.00 0.66 C ATOM 1247 CD1 LEU A 85 4.617 -6.346 2.437 1.00 0.94 C ATOM 1248 CD2 LEU A 85 4.929 -8.812 2.235 1.00 0.86 C ATOM 0 H LEU A 85 8.143 -7.240 5.415 1.00 0.46 H new ATOM 0 HA LEU A 85 6.126 -5.512 4.366 1.00 0.50 H new ATOM 0 HB2 LEU A 85 6.982 -7.601 3.325 1.00 0.58 H new ATOM 0 HB3 LEU A 85 6.221 -8.529 4.603 1.00 0.58 H new ATOM 0 HG LEU A 85 4.001 -7.762 3.907 1.00 0.66 H new ATOM 0 HD11 LEU A 85 3.681 -6.410 1.882 1.00 0.94 H new ATOM 0 HD12 LEU A 85 4.570 -5.507 3.131 1.00 0.94 H new ATOM 0 HD13 LEU A 85 5.442 -6.195 1.741 1.00 0.94 H new ATOM 0 HD21 LEU A 85 4.013 -8.864 1.647 1.00 0.86 H new ATOM 0 HD22 LEU A 85 5.779 -8.661 1.570 1.00 0.86 H new ATOM 0 HD23 LEU A 85 5.060 -9.743 2.786 1.00 0.86 H new ATOM 1260 N ALA A 86 5.436 -7.202 7.113 1.00 0.54 N ATOM 1261 CA ALA A 86 4.518 -7.291 8.227 1.00 0.56 C ATOM 1262 C ALA A 86 4.567 -6.038 9.087 1.00 0.47 C ATOM 1263 O ALA A 86 3.586 -5.742 9.741 1.00 0.47 O ATOM 1264 CB ALA A 86 4.853 -8.524 9.067 1.00 0.63 C ATOM 0 H ALA A 86 6.267 -7.785 7.213 1.00 0.54 H new ATOM 0 HA ALA A 86 3.506 -7.382 7.833 1.00 0.56 H new ATOM 0 HB1 ALA A 86 4.161 -8.591 9.907 1.00 0.63 H new ATOM 0 HB2 ALA A 86 4.764 -9.419 8.451 1.00 0.63 H new ATOM 0 HB3 ALA A 86 5.873 -8.442 9.443 1.00 0.63 H new ATOM 1270 N GLU A 87 5.670 -5.295 9.100 1.00 0.42 N ATOM 1271 CA GLU A 87 5.833 -4.057 9.849 1.00 0.36 C ATOM 1272 C GLU A 87 5.056 -2.941 9.162 1.00 0.35 C ATOM 1273 O GLU A 87 4.412 -2.112 9.810 1.00 0.36 O ATOM 1274 CB GLU A 87 7.327 -3.711 9.927 1.00 0.33 C ATOM 1275 CG GLU A 87 7.999 -4.366 11.138 1.00 0.40 C ATOM 1276 CD GLU A 87 9.279 -3.632 11.546 1.00 0.68 C ATOM 1277 OE1 GLU A 87 10.125 -3.401 10.653 1.00 1.90 O ATOM 1278 OE2 GLU A 87 9.410 -3.321 12.750 1.00 1.66 O ATOM 0 H GLU A 87 6.503 -5.549 8.570 1.00 0.42 H new ATOM 0 HA GLU A 87 5.445 -4.176 10.861 1.00 0.36 H new ATOM 0 HB2 GLU A 87 7.824 -4.038 9.014 1.00 0.33 H new ATOM 0 HB3 GLU A 87 7.447 -2.629 9.985 1.00 0.33 H new ATOM 0 HG2 GLU A 87 7.304 -4.377 11.977 1.00 0.40 H new ATOM 0 HG3 GLU A 87 8.234 -5.405 10.905 1.00 0.40 H new ATOM 1285 N ALA A 88 5.080 -2.946 7.829 1.00 0.38 N ATOM 1286 CA ALA A 88 4.281 -2.026 7.042 1.00 0.41 C ATOM 1287 C ALA A 88 2.815 -2.321 7.337 1.00 0.45 C ATOM 1288 O ALA A 88 2.062 -1.456 7.776 1.00 0.47 O ATOM 1289 CB ALA A 88 4.612 -2.194 5.556 1.00 0.43 C ATOM 0 H ALA A 88 5.651 -3.584 7.275 1.00 0.38 H new ATOM 0 HA ALA A 88 4.497 -0.989 7.301 1.00 0.41 H new ATOM 0 HB1 ALA A 88 4.010 -1.501 4.968 1.00 0.43 H new ATOM 0 HB2 ALA A 88 5.669 -1.984 5.393 1.00 0.43 H new ATOM 0 HB3 ALA A 88 4.393 -3.216 5.248 1.00 0.43 H new ATOM 1295 N TYR A 89 2.425 -3.576 7.136 1.00 0.48 N ATOM 1296 CA TYR A 89 1.092 -4.072 7.382 1.00 0.53 C ATOM 1297 C TYR A 89 0.691 -3.976 8.848 1.00 0.48 C ATOM 1298 O TYR A 89 -0.495 -3.882 9.123 1.00 0.47 O ATOM 1299 CB TYR A 89 1.016 -5.503 6.848 1.00 0.59 C ATOM 1300 CG TYR A 89 0.989 -5.647 5.332 1.00 0.63 C ATOM 1301 CD1 TYR A 89 0.547 -4.604 4.487 1.00 1.97 C ATOM 1302 CD2 TYR A 89 1.394 -6.868 4.762 1.00 1.49 C ATOM 1303 CE1 TYR A 89 0.523 -4.775 3.095 1.00 1.99 C ATOM 1304 CE2 TYR A 89 1.357 -7.050 3.370 1.00 1.53 C ATOM 1305 CZ TYR A 89 0.921 -6.003 2.530 1.00 0.73 C ATOM 1306 OH TYR A 89 0.830 -6.184 1.185 1.00 0.80 O ATOM 0 H TYR A 89 3.058 -4.295 6.785 1.00 0.48 H new ATOM 0 HA TYR A 89 0.370 -3.446 6.858 1.00 0.53 H new ATOM 0 HB2 TYR A 89 1.872 -6.059 7.231 1.00 0.59 H new ATOM 0 HB3 TYR A 89 0.121 -5.975 7.254 1.00 0.59 H new ATOM 0 HD1 TYR A 89 0.225 -3.667 4.917 1.00 1.97 H new ATOM 0 HD2 TYR A 89 1.736 -7.670 5.399 1.00 1.49 H new ATOM 0 HE1 TYR A 89 0.200 -3.966 2.457 1.00 1.99 H new ATOM 0 HE2 TYR A 89 1.663 -7.993 2.941 1.00 1.53 H new ATOM 0 HH TYR A 89 0.644 -7.127 0.994 1.00 0.80 H new ATOM 1316 N GLU A 90 1.622 -3.946 9.796 1.00 0.47 N ATOM 1317 CA GLU A 90 1.301 -3.747 11.200 1.00 0.46 C ATOM 1318 C GLU A 90 0.958 -2.298 11.429 1.00 0.43 C ATOM 1319 O GLU A 90 0.002 -1.996 12.136 1.00 0.42 O ATOM 1320 CB GLU A 90 2.476 -4.106 12.117 1.00 0.61 C ATOM 1321 CG GLU A 90 2.458 -5.574 12.551 1.00 1.16 C ATOM 1322 CD GLU A 90 2.471 -5.663 14.077 1.00 1.66 C ATOM 1323 OE1 GLU A 90 1.467 -6.116 14.667 1.00 3.14 O ATOM 1324 OE2 GLU A 90 3.406 -5.112 14.701 1.00 1.91 O ATOM 0 H GLU A 90 2.619 -4.059 9.610 1.00 0.47 H new ATOM 0 HA GLU A 90 0.461 -4.400 11.438 1.00 0.46 H new ATOM 0 HB2 GLU A 90 3.412 -3.895 11.601 1.00 0.61 H new ATOM 0 HB3 GLU A 90 2.449 -3.469 13.001 1.00 0.61 H new ATOM 0 HG2 GLU A 90 1.570 -6.069 12.156 1.00 1.16 H new ATOM 0 HG3 GLU A 90 3.323 -6.095 12.140 1.00 1.16 H new ATOM 1331 N SER A 91 1.732 -1.391 10.845 1.00 0.45 N ATOM 1332 CA SER A 91 1.417 0.015 10.968 1.00 0.46 C ATOM 1333 C SER A 91 0.042 0.254 10.357 1.00 0.44 C ATOM 1334 O SER A 91 -0.777 0.954 10.937 1.00 0.45 O ATOM 1335 CB SER A 91 2.484 0.875 10.290 1.00 0.53 C ATOM 1336 OG SER A 91 3.765 0.690 10.864 1.00 0.76 O ATOM 0 H SER A 91 2.564 -1.603 10.294 1.00 0.45 H new ATOM 0 HA SER A 91 1.402 0.301 12.020 1.00 0.46 H new ATOM 0 HB2 SER A 91 2.525 0.630 9.229 1.00 0.53 H new ATOM 0 HB3 SER A 91 2.203 1.925 10.364 1.00 0.53 H new ATOM 0 HG SER A 91 4.106 -0.197 10.623 1.00 0.76 H new ATOM 1342 N ILE A 92 -0.241 -0.349 9.201 1.00 0.43 N ATOM 1343 CA ILE A 92 -1.491 -0.113 8.500 1.00 0.43 C ATOM 1344 C ILE A 92 -2.636 -0.745 9.287 1.00 0.43 C ATOM 1345 O ILE A 92 -3.682 -0.132 9.451 1.00 0.44 O ATOM 1346 CB ILE A 92 -1.365 -0.625 7.046 1.00 0.45 C ATOM 1347 CG1 ILE A 92 -0.961 0.515 6.087 1.00 0.51 C ATOM 1348 CG2 ILE A 92 -2.639 -1.287 6.520 1.00 0.46 C ATOM 1349 CD1 ILE A 92 0.474 0.344 5.594 1.00 0.79 C ATOM 0 H ILE A 92 0.385 -1.005 8.734 1.00 0.43 H new ATOM 0 HA ILE A 92 -1.716 0.951 8.432 1.00 0.43 H new ATOM 0 HB ILE A 92 -0.585 -1.386 7.076 1.00 0.45 H new ATOM 0 HG12 ILE A 92 -1.641 0.534 5.235 1.00 0.51 H new ATOM 0 HG13 ILE A 92 -1.061 1.474 6.596 1.00 0.51 H new ATOM 0 HG21 ILE A 92 -2.479 -1.622 5.495 1.00 0.46 H new ATOM 0 HG22 ILE A 92 -2.890 -2.143 7.147 1.00 0.46 H new ATOM 0 HG23 ILE A 92 -3.458 -0.569 6.543 1.00 0.46 H new ATOM 0 HD11 ILE A 92 0.727 1.163 4.921 1.00 0.79 H new ATOM 0 HD12 ILE A 92 1.154 0.350 6.445 1.00 0.79 H new ATOM 0 HD13 ILE A 92 0.566 -0.604 5.063 1.00 0.79 H new ATOM 1361 N ALA A 93 -2.451 -1.967 9.775 1.00 0.44 N ATOM 1362 CA ALA A 93 -3.512 -2.741 10.406 1.00 0.47 C ATOM 1363 C ALA A 93 -3.896 -2.080 11.722 1.00 0.47 C ATOM 1364 O ALA A 93 -5.070 -1.863 12.016 1.00 0.49 O ATOM 1365 CB ALA A 93 -3.055 -4.187 10.625 1.00 0.53 C ATOM 0 H ALA A 93 -1.554 -2.451 9.743 1.00 0.44 H new ATOM 0 HA ALA A 93 -4.387 -2.766 9.757 1.00 0.47 H new ATOM 0 HB1 ALA A 93 -3.857 -4.754 11.097 1.00 0.53 H new ATOM 0 HB2 ALA A 93 -2.807 -4.640 9.665 1.00 0.53 H new ATOM 0 HB3 ALA A 93 -2.176 -4.197 11.269 1.00 0.53 H new ATOM 1371 N LYS A 94 -2.891 -1.716 12.516 1.00 0.48 N ATOM 1372 CA LYS A 94 -3.121 -0.996 13.751 1.00 0.49 C ATOM 1373 C LYS A 94 -3.804 0.325 13.425 1.00 0.47 C ATOM 1374 O LYS A 94 -4.801 0.636 14.060 1.00 0.50 O ATOM 1375 CB LYS A 94 -1.812 -0.849 14.541 1.00 0.51 C ATOM 1376 CG LYS A 94 -1.355 -2.243 15.000 1.00 1.04 C ATOM 1377 CD LYS A 94 0.030 -2.252 15.653 1.00 1.57 C ATOM 1378 CE LYS A 94 0.400 -3.725 15.855 1.00 2.58 C ATOM 1379 NZ LYS A 94 1.772 -3.933 16.360 1.00 3.54 N ATOM 0 H LYS A 94 -1.910 -1.912 12.319 1.00 0.48 H new ATOM 0 HA LYS A 94 -3.790 -1.551 14.409 1.00 0.49 H new ATOM 0 HB2 LYS A 94 -1.046 -0.386 13.920 1.00 0.51 H new ATOM 0 HB3 LYS A 94 -1.961 -0.198 15.402 1.00 0.51 H new ATOM 0 HG2 LYS A 94 -2.083 -2.640 15.707 1.00 1.04 H new ATOM 0 HG3 LYS A 94 -1.347 -2.914 14.141 1.00 1.04 H new ATOM 0 HD2 LYS A 94 0.762 -1.751 15.020 1.00 1.57 H new ATOM 0 HD3 LYS A 94 0.015 -1.721 16.605 1.00 1.57 H new ATOM 0 HE2 LYS A 94 -0.306 -4.174 16.554 1.00 2.58 H new ATOM 0 HE3 LYS A 94 0.289 -4.251 14.907 1.00 2.58 H new ATOM 0 HZ1 LYS A 94 1.841 -4.872 16.802 1.00 3.54 H new ATOM 0 HZ2 LYS A 94 2.446 -3.872 15.570 1.00 3.54 H new ATOM 0 HZ3 LYS A 94 1.997 -3.201 17.064 1.00 3.54 H new ATOM 1393 N ILE A 95 -3.353 1.063 12.405 1.00 0.46 N ATOM 1394 CA ILE A 95 -3.957 2.343 12.017 1.00 0.45 C ATOM 1395 C ILE A 95 -5.412 2.168 11.586 1.00 0.46 C ATOM 1396 O ILE A 95 -6.223 3.070 11.792 1.00 0.50 O ATOM 1397 CB ILE A 95 -3.100 3.021 10.921 1.00 0.42 C ATOM 1398 CG1 ILE A 95 -1.862 3.656 11.581 1.00 0.63 C ATOM 1399 CG2 ILE A 95 -3.853 4.099 10.123 1.00 0.80 C ATOM 1400 CD1 ILE A 95 -0.797 4.103 10.569 1.00 0.58 C ATOM 0 H ILE A 95 -2.559 0.790 11.825 1.00 0.46 H new ATOM 0 HA ILE A 95 -3.972 3.000 12.886 1.00 0.45 H new ATOM 0 HB ILE A 95 -2.824 2.243 10.209 1.00 0.42 H new ATOM 0 HG12 ILE A 95 -2.175 4.516 12.172 1.00 0.63 H new ATOM 0 HG13 ILE A 95 -1.419 2.939 12.272 1.00 0.63 H new ATOM 0 HG21 ILE A 95 -3.188 4.529 9.374 1.00 0.80 H new ATOM 0 HG22 ILE A 95 -4.714 3.650 9.628 1.00 0.80 H new ATOM 0 HG23 ILE A 95 -4.191 4.883 10.800 1.00 0.80 H new ATOM 0 HD11 ILE A 95 0.048 4.542 11.100 1.00 0.58 H new ATOM 0 HD12 ILE A 95 -0.457 3.242 9.994 1.00 0.58 H new ATOM 0 HD13 ILE A 95 -1.225 4.844 9.894 1.00 0.58 H new ATOM 1412 N VAL A 96 -5.750 1.033 10.978 1.00 0.47 N ATOM 1413 CA VAL A 96 -7.093 0.718 10.522 1.00 0.49 C ATOM 1414 C VAL A 96 -8.003 0.576 11.734 1.00 0.53 C ATOM 1415 O VAL A 96 -9.133 1.055 11.718 1.00 0.56 O ATOM 1416 CB VAL A 96 -7.044 -0.538 9.625 1.00 0.53 C ATOM 1417 CG1 VAL A 96 -8.370 -1.304 9.528 1.00 0.65 C ATOM 1418 CG2 VAL A 96 -6.633 -0.131 8.206 1.00 0.56 C ATOM 0 H VAL A 96 -5.077 0.291 10.786 1.00 0.47 H new ATOM 0 HA VAL A 96 -7.508 1.518 9.909 1.00 0.49 H new ATOM 0 HB VAL A 96 -6.322 -1.205 10.095 1.00 0.53 H new ATOM 0 HG11 VAL A 96 -8.243 -2.170 8.879 1.00 0.65 H new ATOM 0 HG12 VAL A 96 -8.672 -1.636 10.521 1.00 0.65 H new ATOM 0 HG13 VAL A 96 -9.138 -0.650 9.115 1.00 0.65 H new ATOM 0 HG21 VAL A 96 -6.597 -1.015 7.570 1.00 0.56 H new ATOM 0 HG22 VAL A 96 -7.360 0.575 7.805 1.00 0.56 H new ATOM 0 HG23 VAL A 96 -5.649 0.337 8.232 1.00 0.56 H new ATOM 1428 N ASN A 97 -7.518 -0.041 12.806 1.00 0.58 N ATOM 1429 CA ASN A 97 -8.323 -0.207 14.007 1.00 0.70 C ATOM 1430 C ASN A 97 -8.409 1.116 14.746 1.00 0.74 C ATOM 1431 O ASN A 97 -9.461 1.456 15.279 1.00 0.83 O ATOM 1432 CB ASN A 97 -7.712 -1.267 14.942 1.00 0.81 C ATOM 1433 CG ASN A 97 -8.371 -2.633 14.811 1.00 0.84 C ATOM 1434 OD1 ASN A 97 -9.360 -2.803 14.111 1.00 1.29 O ATOM 1435 ND2 ASN A 97 -7.841 -3.631 15.506 1.00 1.28 N ATOM 0 H ASN A 97 -6.578 -0.432 12.867 1.00 0.58 H new ATOM 0 HA ASN A 97 -9.317 -0.538 13.708 1.00 0.70 H new ATOM 0 HB2 ASN A 97 -6.648 -1.362 14.727 1.00 0.81 H new ATOM 0 HB3 ASN A 97 -7.799 -0.926 15.974 1.00 0.81 H new ATOM 0 HD21 ASN A 97 -8.258 -4.561 15.463 1.00 1.28 H new ATOM 0 HD22 ASN A 97 -7.016 -3.469 16.084 1.00 1.28 H new ATOM 1442 N ASP A 98 -7.300 1.853 14.765 1.00 0.69 N ATOM 1443 CA ASP A 98 -7.147 3.113 15.481 1.00 0.76 C ATOM 1444 C ASP A 98 -8.166 4.106 14.934 1.00 0.76 C ATOM 1445 O ASP A 98 -8.815 4.846 15.666 1.00 0.86 O ATOM 1446 CB ASP A 98 -5.707 3.624 15.290 1.00 0.75 C ATOM 1447 CG ASP A 98 -5.200 4.500 16.433 1.00 1.54 C ATOM 1448 OD1 ASP A 98 -5.891 4.573 17.473 1.00 2.31 O ATOM 1449 OD2 ASP A 98 -4.087 5.043 16.262 1.00 2.55 O ATOM 0 H ASP A 98 -6.455 1.578 14.264 1.00 0.69 H new ATOM 0 HA ASP A 98 -7.324 2.983 16.549 1.00 0.76 H new ATOM 0 HB2 ASP A 98 -5.041 2.768 15.179 1.00 0.75 H new ATOM 0 HB3 ASP A 98 -5.654 4.191 14.361 1.00 0.75 H new ATOM 1454 N ASN A 99 -8.340 4.085 13.611 1.00 0.68 N ATOM 1455 CA ASN A 99 -9.298 4.928 12.930 1.00 0.69 C ATOM 1456 C ASN A 99 -10.672 4.270 12.783 1.00 0.71 C ATOM 1457 O ASN A 99 -11.613 4.909 12.317 1.00 0.74 O ATOM 1458 CB ASN A 99 -8.741 5.207 11.549 1.00 0.65 C ATOM 1459 CG ASN A 99 -7.877 6.453 11.529 1.00 0.75 C ATOM 1460 OD1 ASN A 99 -8.373 7.572 11.515 1.00 0.96 O ATOM 1461 ND2 ASN A 99 -6.565 6.281 11.508 1.00 2.64 N ATOM 0 H ASN A 99 -7.812 3.475 12.987 1.00 0.68 H new ATOM 0 HA ASN A 99 -9.443 5.835 13.517 1.00 0.69 H new ATOM 0 HB2 ASN A 99 -8.153 4.352 11.215 1.00 0.65 H new ATOM 0 HB3 ASN A 99 -9.563 5.324 10.843 1.00 0.65 H new ATOM 0 HD21 ASN A 99 -5.945 7.090 11.480 1.00 2.64 H new ATOM 0 HD22 ASN A 99 -6.174 5.339 11.520 1.00 2.64 H new ATOM 1468 N ASN A 100 -10.788 2.992 13.134 1.00 0.73 N ATOM 1469 CA ASN A 100 -11.997 2.191 13.011 1.00 0.78 C ATOM 1470 C ASN A 100 -12.510 2.168 11.568 1.00 0.67 C ATOM 1471 O ASN A 100 -13.710 2.239 11.302 1.00 0.70 O ATOM 1472 CB ASN A 100 -13.036 2.712 14.010 1.00 0.94 C ATOM 1473 CG ASN A 100 -13.865 1.578 14.584 1.00 1.01 C ATOM 1474 OD1 ASN A 100 -14.997 1.340 14.185 1.00 1.66 O ATOM 1475 ND2 ASN A 100 -13.306 0.858 15.549 1.00 1.64 N ATOM 0 H ASN A 100 -10.008 2.467 13.528 1.00 0.73 H new ATOM 0 HA ASN A 100 -11.781 1.151 13.256 1.00 0.78 H new ATOM 0 HB2 ASN A 100 -12.533 3.243 14.818 1.00 0.94 H new ATOM 0 HB3 ASN A 100 -13.691 3.430 13.516 1.00 0.94 H new ATOM 0 HD21 ASN A 100 -13.822 0.088 15.974 1.00 1.64 H new ATOM 0 HD22 ASN A 100 -12.361 1.075 15.865 1.00 1.64 H new ATOM 1482 N TYR A 101 -11.598 2.081 10.602 1.00 0.61 N ATOM 1483 CA TYR A 101 -12.001 2.075 9.210 1.00 0.58 C ATOM 1484 C TYR A 101 -12.689 0.761 8.855 1.00 0.75 C ATOM 1485 O TYR A 101 -12.046 -0.280 8.770 1.00 1.14 O ATOM 1486 CB TYR A 101 -10.801 2.287 8.289 1.00 0.66 C ATOM 1487 CG TYR A 101 -10.093 3.618 8.417 1.00 0.58 C ATOM 1488 CD1 TYR A 101 -8.688 3.665 8.375 1.00 1.51 C ATOM 1489 CD2 TYR A 101 -10.827 4.816 8.506 1.00 1.87 C ATOM 1490 CE1 TYR A 101 -8.013 4.896 8.413 1.00 1.52 C ATOM 1491 CE2 TYR A 101 -10.163 6.053 8.503 1.00 2.08 C ATOM 1492 CZ TYR A 101 -8.752 6.101 8.450 1.00 1.08 C ATOM 1493 OH TYR A 101 -8.118 7.306 8.447 1.00 1.47 O ATOM 0 H TYR A 101 -10.592 2.015 10.760 1.00 0.61 H new ATOM 0 HA TYR A 101 -12.702 2.897 9.067 1.00 0.58 H new ATOM 0 HB2 TYR A 101 -10.078 1.494 8.479 1.00 0.66 H new ATOM 0 HB3 TYR A 101 -11.135 2.174 7.258 1.00 0.66 H new ATOM 0 HD1 TYR A 101 -8.123 2.747 8.313 1.00 1.51 H new ATOM 0 HD2 TYR A 101 -11.904 4.783 8.577 1.00 1.87 H new ATOM 0 HE1 TYR A 101 -6.933 4.922 8.414 1.00 1.52 H new ATOM 0 HE2 TYR A 101 -10.732 6.970 8.541 1.00 2.08 H new ATOM 0 HH TYR A 101 -8.783 8.025 8.475 1.00 1.47 H new ATOM 1503 N LYS A 102 -13.984 0.834 8.542 1.00 0.85 N ATOM 1504 CA LYS A 102 -14.755 -0.315 8.103 1.00 1.11 C ATOM 1505 C LYS A 102 -14.256 -0.879 6.780 1.00 0.94 C ATOM 1506 O LYS A 102 -14.364 -2.072 6.533 1.00 1.19 O ATOM 1507 CB LYS A 102 -16.230 0.067 7.973 1.00 1.47 C ATOM 1508 CG LYS A 102 -16.607 1.242 7.053 1.00 2.65 C ATOM 1509 CD LYS A 102 -16.541 2.632 7.708 1.00 3.30 C ATOM 1510 CE LYS A 102 -15.363 3.471 7.190 1.00 4.08 C ATOM 1511 NZ LYS A 102 -15.774 4.856 6.869 1.00 5.82 N ATOM 0 H LYS A 102 -14.523 1.698 8.588 1.00 0.85 H new ATOM 0 HA LYS A 102 -14.633 -1.092 8.858 1.00 1.11 H new ATOM 0 HB2 LYS A 102 -16.771 -0.813 7.625 1.00 1.47 H new ATOM 0 HB3 LYS A 102 -16.602 0.295 8.972 1.00 1.47 H new ATOM 0 HG2 LYS A 102 -15.943 1.233 6.188 1.00 2.65 H new ATOM 0 HG3 LYS A 102 -17.619 1.081 6.680 1.00 2.65 H new ATOM 0 HD2 LYS A 102 -17.473 3.164 7.518 1.00 3.30 H new ATOM 0 HD3 LYS A 102 -16.454 2.517 8.788 1.00 3.30 H new ATOM 0 HE2 LYS A 102 -14.573 3.491 7.941 1.00 4.08 H new ATOM 0 HE3 LYS A 102 -14.945 3.000 6.300 1.00 4.08 H new ATOM 0 HZ1 LYS A 102 -14.952 5.391 6.523 1.00 5.82 H new ATOM 0 HZ2 LYS A 102 -16.510 4.838 6.134 1.00 5.82 H new ATOM 0 HZ3 LYS A 102 -16.149 5.314 7.724 1.00 5.82 H new ATOM 1525 N SER A 103 -13.755 -0.027 5.899 1.00 0.68 N ATOM 1526 CA SER A 103 -13.190 -0.453 4.625 1.00 0.58 C ATOM 1527 C SER A 103 -12.104 0.525 4.195 1.00 0.50 C ATOM 1528 O SER A 103 -12.181 1.698 4.563 1.00 0.60 O ATOM 1529 CB SER A 103 -14.302 -0.523 3.573 1.00 0.85 C ATOM 1530 OG SER A 103 -15.434 -1.200 4.084 1.00 2.53 O ATOM 0 H SER A 103 -13.728 0.982 6.046 1.00 0.68 H new ATOM 0 HA SER A 103 -12.744 -1.442 4.730 1.00 0.58 H new ATOM 0 HB2 SER A 103 -14.583 0.485 3.266 1.00 0.85 H new ATOM 0 HB3 SER A 103 -13.936 -1.036 2.684 1.00 0.85 H new ATOM 0 HG SER A 103 -16.133 -1.233 3.398 1.00 2.53 H new ATOM 1536 N VAL A 104 -11.100 0.055 3.442 1.00 0.45 N ATOM 1537 CA VAL A 104 -9.967 0.865 3.002 1.00 0.52 C ATOM 1538 C VAL A 104 -9.473 0.370 1.646 1.00 0.48 C ATOM 1539 O VAL A 104 -9.374 -0.839 1.432 1.00 0.51 O ATOM 1540 CB VAL A 104 -8.841 0.780 4.050 1.00 0.66 C ATOM 1541 CG1 VAL A 104 -7.550 1.444 3.570 1.00 1.48 C ATOM 1542 CG2 VAL A 104 -9.256 1.457 5.360 1.00 1.48 C ATOM 0 H VAL A 104 -11.056 -0.912 3.120 1.00 0.45 H new ATOM 0 HA VAL A 104 -10.277 1.905 2.899 1.00 0.52 H new ATOM 0 HB VAL A 104 -8.661 -0.283 4.209 1.00 0.66 H new ATOM 0 HG11 VAL A 104 -6.787 1.358 4.344 1.00 1.48 H new ATOM 0 HG12 VAL A 104 -7.203 0.951 2.662 1.00 1.48 H new ATOM 0 HG13 VAL A 104 -7.738 2.497 3.362 1.00 1.48 H new ATOM 0 HG21 VAL A 104 -8.443 1.382 6.082 1.00 1.48 H new ATOM 0 HG22 VAL A 104 -9.479 2.507 5.172 1.00 1.48 H new ATOM 0 HG23 VAL A 104 -10.142 0.964 5.760 1.00 1.48 H new ATOM 1552 N ALA A 105 -9.111 1.296 0.747 1.00 0.51 N ATOM 1553 CA ALA A 105 -8.473 0.940 -0.507 1.00 0.50 C ATOM 1554 C ALA A 105 -6.969 0.863 -0.279 1.00 0.48 C ATOM 1555 O ALA A 105 -6.295 1.885 -0.142 1.00 0.58 O ATOM 1556 CB ALA A 105 -8.823 1.968 -1.585 1.00 0.59 C ATOM 0 H ALA A 105 -9.254 2.298 0.875 1.00 0.51 H new ATOM 0 HA ALA A 105 -8.830 -0.030 -0.853 1.00 0.50 H new ATOM 0 HB1 ALA A 105 -8.339 1.692 -2.522 1.00 0.59 H new ATOM 0 HB2 ALA A 105 -9.903 1.992 -1.728 1.00 0.59 H new ATOM 0 HB3 ALA A 105 -8.476 2.953 -1.274 1.00 0.59 H new ATOM 1562 N ILE A 106 -6.426 -0.354 -0.296 1.00 0.51 N ATOM 1563 CA ILE A 106 -5.033 -0.640 -0.005 1.00 0.62 C ATOM 1564 C ILE A 106 -4.427 -1.320 -1.245 1.00 0.67 C ATOM 1565 O ILE A 106 -4.841 -2.416 -1.616 1.00 0.94 O ATOM 1566 CB ILE A 106 -5.003 -1.436 1.318 1.00 0.91 C ATOM 1567 CG1 ILE A 106 -3.640 -1.488 2.018 1.00 2.17 C ATOM 1568 CG2 ILE A 106 -5.602 -2.843 1.224 1.00 1.20 C ATOM 1569 CD1 ILE A 106 -2.484 -2.058 1.196 1.00 2.84 C ATOM 0 H ILE A 106 -6.966 -1.190 -0.520 1.00 0.51 H new ATOM 0 HA ILE A 106 -4.405 0.234 0.167 1.00 0.62 H new ATOM 0 HB ILE A 106 -5.659 -0.837 1.950 1.00 0.91 H new ATOM 0 HG12 ILE A 106 -3.375 -0.477 2.328 1.00 2.17 H new ATOM 0 HG13 ILE A 106 -3.743 -2.084 2.925 1.00 2.17 H new ATOM 0 HG21 ILE A 106 -5.540 -3.331 2.197 1.00 1.20 H new ATOM 0 HG22 ILE A 106 -6.646 -2.774 0.918 1.00 1.20 H new ATOM 0 HG23 ILE A 106 -5.047 -3.427 0.490 1.00 1.20 H new ATOM 0 HD11 ILE A 106 -1.572 -2.045 1.793 1.00 2.84 H new ATOM 0 HD12 ILE A 106 -2.714 -3.084 0.907 1.00 2.84 H new ATOM 0 HD13 ILE A 106 -2.341 -1.452 0.301 1.00 2.84 H new ATOM 1581 N PRO A 107 -3.510 -0.650 -1.959 1.00 0.62 N ATOM 1582 CA PRO A 107 -2.956 -1.167 -3.198 1.00 0.70 C ATOM 1583 C PRO A 107 -1.873 -2.205 -2.903 1.00 0.78 C ATOM 1584 O PRO A 107 -1.489 -2.436 -1.758 1.00 1.03 O ATOM 1585 CB PRO A 107 -2.394 0.057 -3.923 1.00 0.79 C ATOM 1586 CG PRO A 107 -1.942 0.950 -2.769 1.00 0.87 C ATOM 1587 CD PRO A 107 -2.967 0.665 -1.668 1.00 0.73 C ATOM 0 HA PRO A 107 -3.699 -1.678 -3.810 1.00 0.70 H new ATOM 0 HB2 PRO A 107 -1.565 -0.206 -4.580 1.00 0.79 H new ATOM 0 HB3 PRO A 107 -3.148 0.544 -4.541 1.00 0.79 H new ATOM 0 HG2 PRO A 107 -0.930 0.706 -2.447 1.00 0.87 H new ATOM 0 HG3 PRO A 107 -1.941 2.002 -3.053 1.00 0.87 H new ATOM 0 HD2 PRO A 107 -2.499 0.685 -0.684 1.00 0.73 H new ATOM 0 HD3 PRO A 107 -3.754 1.420 -1.662 1.00 0.73 H new ATOM 1595 N LEU A 108 -1.361 -2.855 -3.947 1.00 0.81 N ATOM 1596 CA LEU A 108 -0.462 -3.978 -3.757 1.00 0.88 C ATOM 1597 C LEU A 108 0.968 -3.474 -3.619 1.00 0.96 C ATOM 1598 O LEU A 108 1.596 -3.089 -4.605 1.00 1.03 O ATOM 1599 CB LEU A 108 -0.612 -4.975 -4.907 1.00 1.09 C ATOM 1600 CG LEU A 108 -2.050 -5.513 -4.958 1.00 1.32 C ATOM 1601 CD1 LEU A 108 -2.842 -4.857 -6.094 1.00 2.36 C ATOM 1602 CD2 LEU A 108 -2.035 -7.026 -5.143 1.00 2.08 C ATOM 0 H LEU A 108 -1.554 -2.622 -4.921 1.00 0.81 H new ATOM 0 HA LEU A 108 -0.719 -4.504 -2.838 1.00 0.88 H new ATOM 0 HB2 LEU A 108 -0.363 -4.492 -5.852 1.00 1.09 H new ATOM 0 HB3 LEU A 108 0.088 -5.800 -4.777 1.00 1.09 H new ATOM 0 HG LEU A 108 -2.538 -5.269 -4.014 1.00 1.32 H new ATOM 0 HD11 LEU A 108 -3.856 -5.256 -6.108 1.00 2.36 H new ATOM 0 HD12 LEU A 108 -2.878 -3.779 -5.937 1.00 2.36 H new ATOM 0 HD13 LEU A 108 -2.356 -5.069 -7.046 1.00 2.36 H new ATOM 0 HD21 LEU A 108 -3.059 -7.398 -5.178 1.00 2.08 H new ATOM 0 HD22 LEU A 108 -1.527 -7.274 -6.075 1.00 2.08 H new ATOM 0 HD23 LEU A 108 -1.509 -7.489 -4.309 1.00 2.08 H new ATOM 1614 N LEU A 109 1.476 -3.476 -2.388 1.00 1.39 N ATOM 1615 CA LEU A 109 2.844 -3.086 -2.081 1.00 1.62 C ATOM 1616 C LEU A 109 3.806 -4.224 -2.430 1.00 1.44 C ATOM 1617 O LEU A 109 3.402 -5.377 -2.568 1.00 1.38 O ATOM 1618 CB LEU A 109 2.938 -2.702 -0.597 1.00 1.96 C ATOM 1619 CG LEU A 109 2.227 -1.363 -0.326 1.00 1.67 C ATOM 1620 CD1 LEU A 109 1.801 -1.270 1.139 1.00 2.52 C ATOM 1621 CD2 LEU A 109 3.146 -0.183 -0.657 1.00 1.39 C ATOM 0 H LEU A 109 0.938 -3.753 -1.567 1.00 1.39 H new ATOM 0 HA LEU A 109 3.128 -2.221 -2.680 1.00 1.62 H new ATOM 0 HB2 LEU A 109 2.490 -3.486 0.014 1.00 1.96 H new ATOM 0 HB3 LEU A 109 3.985 -2.628 -0.303 1.00 1.96 H new ATOM 0 HG LEU A 109 1.345 -1.320 -0.964 1.00 1.67 H new ATOM 0 HD11 LEU A 109 1.300 -0.318 1.313 1.00 2.52 H new ATOM 0 HD12 LEU A 109 1.118 -2.087 1.372 1.00 2.52 H new ATOM 0 HD13 LEU A 109 2.681 -1.339 1.779 1.00 2.52 H new ATOM 0 HD21 LEU A 109 2.623 0.752 -0.458 1.00 1.39 H new ATOM 0 HD22 LEU A 109 4.043 -0.236 -0.040 1.00 1.39 H new ATOM 0 HD23 LEU A 109 3.427 -0.225 -1.709 1.00 1.39 H new ATOM 1633 N SER A 110 5.088 -3.879 -2.581 1.00 1.51 N ATOM 1634 CA SER A 110 6.144 -4.749 -3.089 1.00 1.48 C ATOM 1635 C SER A 110 5.716 -5.544 -4.324 1.00 1.56 C ATOM 1636 O SER A 110 5.645 -6.771 -4.308 1.00 1.80 O ATOM 1637 CB SER A 110 6.744 -5.623 -1.983 1.00 1.59 C ATOM 1638 OG SER A 110 5.767 -6.116 -1.086 1.00 1.68 O ATOM 0 H SER A 110 5.429 -2.948 -2.342 1.00 1.51 H new ATOM 0 HA SER A 110 6.948 -4.099 -3.434 1.00 1.48 H new ATOM 0 HB2 SER A 110 7.272 -6.462 -2.435 1.00 1.59 H new ATOM 0 HB3 SER A 110 7.482 -5.044 -1.428 1.00 1.59 H new ATOM 0 HG SER A 110 5.374 -6.937 -1.450 1.00 1.68 H new ATOM 1644 N THR A 111 5.503 -4.837 -5.433 1.00 1.58 N ATOM 1645 CA THR A 111 5.044 -5.430 -6.679 1.00 1.76 C ATOM 1646 C THR A 111 5.934 -5.033 -7.843 1.00 1.71 C ATOM 1647 O THR A 111 6.406 -5.913 -8.559 1.00 2.04 O ATOM 1648 CB THR A 111 3.608 -4.985 -6.930 1.00 2.08 C ATOM 1649 OG1 THR A 111 3.523 -3.591 -6.701 1.00 2.87 O ATOM 1650 CG2 THR A 111 2.675 -5.749 -6.001 1.00 2.40 C ATOM 0 H THR A 111 5.647 -3.829 -5.488 1.00 1.58 H new ATOM 0 HA THR A 111 5.089 -6.516 -6.595 1.00 1.76 H new ATOM 0 HB THR A 111 3.313 -5.195 -7.958 1.00 2.08 H new ATOM 0 HG1 THR A 111 2.858 -3.414 -6.003 1.00 2.87 H new ATOM 0 HG21 THR A 111 1.647 -5.433 -6.178 1.00 2.40 H new ATOM 0 HG22 THR A 111 2.765 -6.818 -6.194 1.00 2.40 H new ATOM 0 HG23 THR A 111 2.945 -5.544 -4.965 1.00 2.40 H new ATOM 1658 N GLY A 112 6.132 -3.727 -8.042 1.00 2.60 N ATOM 1659 CA GLY A 112 6.967 -3.185 -9.102 1.00 2.73 C ATOM 1660 C GLY A 112 8.447 -3.417 -8.807 1.00 1.66 C ATOM 1661 O GLY A 112 8.874 -4.547 -8.581 1.00 2.33 O ATOM 0 H GLY A 112 5.706 -3.009 -7.457 1.00 2.60 H new ATOM 0 HA2 GLY A 112 6.704 -3.652 -10.051 1.00 2.73 H new ATOM 0 HA3 GLY A 112 6.777 -2.117 -9.209 1.00 2.73 H new ATOM 1665 N ILE A 113 9.251 -2.352 -8.799 1.00 1.67 N ATOM 1666 CA ILE A 113 10.700 -2.453 -8.632 1.00 1.50 C ATOM 1667 C ILE A 113 11.095 -2.633 -7.159 1.00 1.14 C ATOM 1668 O ILE A 113 11.945 -1.913 -6.643 1.00 1.35 O ATOM 1669 CB ILE A 113 11.391 -1.243 -9.295 1.00 2.98 C ATOM 1670 CG1 ILE A 113 10.885 0.117 -8.767 1.00 2.58 C ATOM 1671 CG2 ILE A 113 11.182 -1.340 -10.815 1.00 4.41 C ATOM 1672 CD1 ILE A 113 11.726 1.290 -9.282 1.00 3.40 C ATOM 0 H ILE A 113 8.915 -1.395 -8.908 1.00 1.67 H new ATOM 0 HA ILE A 113 11.049 -3.352 -9.139 1.00 1.50 H new ATOM 0 HB ILE A 113 12.451 -1.282 -9.043 1.00 2.98 H new ATOM 0 HG12 ILE A 113 9.847 0.258 -9.068 1.00 2.58 H new ATOM 0 HG13 ILE A 113 10.903 0.111 -7.677 1.00 2.58 H new ATOM 0 HG21 ILE A 113 11.663 -0.493 -11.303 1.00 4.41 H new ATOM 0 HG22 ILE A 113 11.619 -2.268 -11.184 1.00 4.41 H new ATOM 0 HG23 ILE A 113 10.115 -1.328 -11.037 1.00 4.41 H new ATOM 0 HD11 ILE A 113 11.331 2.224 -8.883 1.00 3.40 H new ATOM 0 HD12 ILE A 113 12.760 1.166 -8.959 1.00 3.40 H new ATOM 0 HD13 ILE A 113 11.687 1.315 -10.371 1.00 3.40 H new ATOM 1684 N PHE A 114 10.507 -3.619 -6.477 1.00 0.97 N ATOM 1685 CA PHE A 114 10.724 -3.881 -5.076 1.00 0.74 C ATOM 1686 C PHE A 114 10.917 -5.381 -4.883 1.00 0.80 C ATOM 1687 O PHE A 114 12.010 -5.818 -4.539 1.00 1.06 O ATOM 1688 CB PHE A 114 9.538 -3.332 -4.278 1.00 0.88 C ATOM 1689 CG PHE A 114 9.375 -1.822 -4.309 1.00 1.05 C ATOM 1690 CD1 PHE A 114 10.479 -0.981 -4.074 1.00 2.25 C ATOM 1691 CD2 PHE A 114 8.111 -1.250 -4.555 1.00 1.76 C ATOM 1692 CE1 PHE A 114 10.323 0.414 -4.073 1.00 2.62 C ATOM 1693 CE2 PHE A 114 7.953 0.147 -4.551 1.00 1.80 C ATOM 1694 CZ PHE A 114 9.058 0.975 -4.299 1.00 1.75 C ATOM 0 H PHE A 114 9.850 -4.269 -6.909 1.00 0.97 H new ATOM 0 HA PHE A 114 11.622 -3.382 -4.712 1.00 0.74 H new ATOM 0 HB2 PHE A 114 8.624 -3.787 -4.659 1.00 0.88 H new ATOM 0 HB3 PHE A 114 9.643 -3.648 -3.240 1.00 0.88 H new ATOM 0 HD1 PHE A 114 11.453 -1.412 -3.893 1.00 2.25 H new ATOM 0 HD2 PHE A 114 7.260 -1.887 -4.747 1.00 1.76 H new ATOM 0 HE1 PHE A 114 11.175 1.054 -3.899 1.00 2.62 H new ATOM 0 HE2 PHE A 114 6.983 0.582 -4.741 1.00 1.80 H new ATOM 0 HZ PHE A 114 8.933 2.048 -4.279 1.00 1.75 H new ATOM 1704 N SER A 115 9.878 -6.191 -5.087 1.00 0.87 N ATOM 1705 CA SER A 115 9.983 -7.620 -4.830 1.00 1.23 C ATOM 1706 C SER A 115 10.957 -8.319 -5.777 1.00 1.51 C ATOM 1707 O SER A 115 11.466 -9.377 -5.428 1.00 1.94 O ATOM 1708 CB SER A 115 8.611 -8.280 -4.924 1.00 1.51 C ATOM 1709 OG SER A 115 8.656 -9.585 -4.386 1.00 2.35 O ATOM 0 H SER A 115 8.966 -5.883 -5.425 1.00 0.87 H new ATOM 0 HA SER A 115 10.377 -7.728 -3.819 1.00 1.23 H new ATOM 0 HB2 SER A 115 7.875 -7.683 -4.386 1.00 1.51 H new ATOM 0 HB3 SER A 115 8.290 -8.319 -5.965 1.00 1.51 H new ATOM 0 HG SER A 115 9.532 -9.985 -4.570 1.00 2.35 H new ATOM 1715 N GLY A 116 11.165 -7.793 -6.984 1.00 1.47 N ATOM 1716 CA GLY A 116 11.911 -8.489 -8.018 1.00 1.91 C ATOM 1717 C GLY A 116 10.928 -8.821 -9.125 1.00 2.16 C ATOM 1718 O GLY A 116 10.222 -7.931 -9.594 1.00 3.02 O ATOM 0 H GLY A 116 10.820 -6.875 -7.266 1.00 1.47 H new ATOM 0 HA2 GLY A 116 12.721 -7.865 -8.396 1.00 1.91 H new ATOM 0 HA3 GLY A 116 12.366 -9.396 -7.621 1.00 1.91 H new ATOM 1722 N ASN A 117 10.844 -10.086 -9.534 1.00 2.37 N ATOM 1723 CA ASN A 117 9.913 -10.497 -10.570 1.00 3.06 C ATOM 1724 C ASN A 117 9.486 -11.933 -10.307 1.00 3.32 C ATOM 1725 O ASN A 117 10.311 -12.726 -9.861 1.00 3.24 O ATOM 1726 CB ASN A 117 10.590 -10.390 -11.938 1.00 3.96 C ATOM 1727 CG ASN A 117 9.617 -10.731 -13.058 1.00 4.85 C ATOM 1728 OD1 ASN A 117 8.404 -10.631 -12.892 1.00 5.57 O ATOM 1729 ND2 ASN A 117 10.128 -11.146 -14.209 1.00 5.25 N ATOM 0 H ASN A 117 11.415 -10.843 -9.158 1.00 2.37 H new ATOM 0 HA ASN A 117 9.035 -9.851 -10.562 1.00 3.06 H new ATOM 0 HB2 ASN A 117 10.973 -9.379 -12.080 1.00 3.96 H new ATOM 0 HB3 ASN A 117 11.446 -11.064 -11.978 1.00 3.96 H new ATOM 0 HD21 ASN A 117 9.510 -11.391 -14.983 1.00 5.25 H new ATOM 0 HD22 ASN A 117 11.139 -11.220 -14.321 1.00 5.25 H new ATOM 1736 N LYS A 118 8.228 -12.252 -10.637 1.00 4.13 N ATOM 1737 CA LYS A 118 7.592 -13.554 -10.441 1.00 4.57 C ATOM 1738 C LYS A 118 7.315 -13.758 -8.940 1.00 3.58 C ATOM 1739 O LYS A 118 8.112 -13.339 -8.112 1.00 2.89 O ATOM 1740 CB LYS A 118 8.467 -14.631 -11.110 1.00 5.93 C ATOM 1741 CG LYS A 118 7.668 -15.767 -11.756 1.00 7.06 C ATOM 1742 CD LYS A 118 8.618 -16.593 -12.633 1.00 8.16 C ATOM 1743 CE LYS A 118 7.900 -17.807 -13.230 1.00 9.25 C ATOM 1744 NZ LYS A 118 8.857 -18.861 -13.630 1.00 9.55 N ATOM 0 H LYS A 118 7.599 -11.575 -11.068 1.00 4.13 H new ATOM 0 HA LYS A 118 6.617 -13.624 -10.923 1.00 4.57 H new ATOM 0 HB2 LYS A 118 9.089 -14.159 -11.871 1.00 5.93 H new ATOM 0 HB3 LYS A 118 9.141 -15.052 -10.364 1.00 5.93 H new ATOM 0 HG2 LYS A 118 7.217 -16.397 -10.989 1.00 7.06 H new ATOM 0 HG3 LYS A 118 6.853 -15.363 -12.357 1.00 7.06 H new ATOM 0 HD2 LYS A 118 9.013 -15.969 -13.435 1.00 8.16 H new ATOM 0 HD3 LYS A 118 9.470 -16.926 -12.039 1.00 8.16 H new ATOM 0 HE2 LYS A 118 7.197 -18.210 -12.501 1.00 9.25 H new ATOM 0 HE3 LYS A 118 7.317 -17.496 -14.097 1.00 9.25 H new ATOM 0 HZ1 LYS A 118 8.337 -19.668 -14.030 1.00 9.55 H new ATOM 0 HZ2 LYS A 118 9.512 -18.483 -14.344 1.00 9.55 H new ATOM 0 HZ3 LYS A 118 9.396 -19.175 -12.798 1.00 9.55 H new ATOM 1758 N ASP A 119 6.139 -14.294 -8.599 1.00 4.31 N ATOM 1759 CA ASP A 119 5.605 -14.487 -7.245 1.00 3.73 C ATOM 1760 C ASP A 119 5.948 -13.370 -6.254 1.00 1.81 C ATOM 1761 O ASP A 119 6.896 -13.451 -5.478 1.00 2.72 O ATOM 1762 CB ASP A 119 5.962 -15.878 -6.717 1.00 5.59 C ATOM 1763 CG ASP A 119 5.050 -16.916 -7.367 1.00 7.44 C ATOM 1764 OD1 ASP A 119 4.805 -16.764 -8.588 1.00 8.27 O ATOM 1765 OD2 ASP A 119 4.569 -17.803 -6.630 1.00 8.31 O ATOM 0 H ASP A 119 5.489 -14.628 -9.311 1.00 4.31 H new ATOM 0 HA ASP A 119 4.521 -14.423 -7.337 1.00 3.73 H new ATOM 0 HB2 ASP A 119 7.005 -16.106 -6.936 1.00 5.59 H new ATOM 0 HB3 ASP A 119 5.850 -15.907 -5.633 1.00 5.59 H new ATOM 1770 N ARG A 120 5.110 -12.330 -6.245 1.00 0.96 N ATOM 1771 CA ARG A 120 5.344 -11.126 -5.450 1.00 1.82 C ATOM 1772 C ARG A 120 4.088 -10.616 -4.778 1.00 1.65 C ATOM 1773 O ARG A 120 3.961 -10.577 -3.554 1.00 1.61 O ATOM 1774 CB ARG A 120 6.086 -10.065 -6.282 1.00 3.82 C ATOM 1775 CG ARG A 120 5.485 -9.773 -7.668 1.00 4.09 C ATOM 1776 CD ARG A 120 6.516 -9.918 -8.791 1.00 4.87 C ATOM 1777 NE ARG A 120 5.841 -10.025 -10.096 1.00 5.46 N ATOM 1778 CZ ARG A 120 5.341 -9.009 -10.815 1.00 7.12 C ATOM 1779 NH1 ARG A 120 4.637 -9.260 -11.918 1.00 8.05 N ATOM 1780 NH2 ARG A 120 5.524 -7.748 -10.431 1.00 8.26 N ATOM 0 H ARG A 120 4.249 -12.301 -6.791 1.00 0.96 H new ATOM 0 HA ARG A 120 6.002 -11.388 -4.621 1.00 1.82 H new ATOM 0 HB2 ARG A 120 6.113 -9.135 -5.713 1.00 3.82 H new ATOM 0 HB3 ARG A 120 7.119 -10.388 -6.413 1.00 3.82 H new ATOM 0 HG2 ARG A 120 4.653 -10.453 -7.851 1.00 4.09 H new ATOM 0 HG3 ARG A 120 5.078 -8.762 -7.679 1.00 4.09 H new ATOM 0 HD2 ARG A 120 7.187 -9.059 -8.791 1.00 4.87 H new ATOM 0 HD3 ARG A 120 7.130 -10.802 -8.618 1.00 4.87 H new ATOM 0 HE ARG A 120 5.745 -10.961 -10.490 1.00 5.46 H new ATOM 0 HH11 ARG A 120 4.479 -10.223 -12.214 1.00 8.05 H new ATOM 0 HH12 ARG A 120 4.256 -8.489 -12.466 1.00 8.05 H new ATOM 0 HH21 ARG A 120 6.050 -7.545 -9.581 1.00 8.26 H new ATOM 0 HH22 ARG A 120 5.139 -6.985 -10.987 1.00 8.26 H new ATOM 1794 N LEU A 121 3.124 -10.268 -5.608 1.00 1.59 N ATOM 1795 CA LEU A 121 1.841 -9.770 -5.142 1.00 1.35 C ATOM 1796 C LEU A 121 1.073 -10.867 -4.456 1.00 1.28 C ATOM 1797 O LEU A 121 0.552 -10.624 -3.387 1.00 1.24 O ATOM 1798 CB LEU A 121 0.951 -9.121 -6.213 1.00 1.33 C ATOM 1799 CG LEU A 121 0.922 -9.825 -7.576 1.00 1.70 C ATOM 1800 CD1 LEU A 121 -0.486 -9.798 -8.170 1.00 1.93 C ATOM 1801 CD2 LEU A 121 1.877 -9.113 -8.538 1.00 2.65 C ATOM 0 H LEU A 121 3.206 -10.322 -6.623 1.00 1.59 H new ATOM 0 HA LEU A 121 2.096 -8.969 -4.449 1.00 1.35 H new ATOM 0 HB2 LEU A 121 -0.068 -9.071 -5.830 1.00 1.33 H new ATOM 0 HB3 LEU A 121 1.286 -8.095 -6.363 1.00 1.33 H new ATOM 0 HG LEU A 121 1.229 -10.861 -7.434 1.00 1.70 H new ATOM 0 HD11 LEU A 121 -0.483 -10.303 -9.136 1.00 1.93 H new ATOM 0 HD12 LEU A 121 -1.175 -10.308 -7.496 1.00 1.93 H new ATOM 0 HD13 LEU A 121 -0.806 -8.764 -8.302 1.00 1.93 H new ATOM 0 HD21 LEU A 121 1.857 -9.613 -9.507 1.00 2.65 H new ATOM 0 HD22 LEU A 121 1.566 -8.075 -8.658 1.00 2.65 H new ATOM 0 HD23 LEU A 121 2.889 -9.144 -8.135 1.00 2.65 H new ATOM 1813 N THR A 122 1.025 -12.069 -5.016 1.00 1.30 N ATOM 1814 CA THR A 122 0.399 -13.216 -4.399 1.00 1.25 C ATOM 1815 C THR A 122 0.884 -13.407 -2.971 1.00 1.17 C ATOM 1816 O THR A 122 0.096 -13.793 -2.110 1.00 1.11 O ATOM 1817 CB THR A 122 0.741 -14.396 -5.307 1.00 1.37 C ATOM 1818 OG1 THR A 122 0.083 -14.181 -6.536 1.00 1.42 O ATOM 1819 CG2 THR A 122 0.368 -15.759 -4.732 1.00 1.47 C ATOM 0 H THR A 122 1.430 -12.271 -5.930 1.00 1.30 H new ATOM 0 HA THR A 122 -0.681 -13.101 -4.308 1.00 1.25 H new ATOM 0 HB THR A 122 1.824 -14.432 -5.423 1.00 1.37 H new ATOM 0 HG1 THR A 122 0.282 -14.921 -7.147 1.00 1.42 H new ATOM 0 HG21 THR A 122 0.645 -16.541 -5.440 1.00 1.47 H new ATOM 0 HG22 THR A 122 0.899 -15.915 -3.793 1.00 1.47 H new ATOM 0 HG23 THR A 122 -0.706 -15.796 -4.552 1.00 1.47 H new ATOM 1827 N GLN A 123 2.155 -13.112 -2.695 1.00 1.20 N ATOM 1828 CA GLN A 123 2.627 -13.282 -1.338 1.00 1.12 C ATOM 1829 C GLN A 123 2.149 -12.094 -0.519 1.00 1.01 C ATOM 1830 O GLN A 123 1.536 -12.261 0.531 1.00 0.91 O ATOM 1831 CB GLN A 123 4.148 -13.467 -1.279 1.00 1.28 C ATOM 1832 CG GLN A 123 4.556 -14.777 -1.975 1.00 1.26 C ATOM 1833 CD GLN A 123 5.614 -15.542 -1.183 1.00 1.54 C ATOM 1834 OE1 GLN A 123 5.325 -16.074 -0.118 1.00 2.77 O ATOM 1835 NE2 GLN A 123 6.838 -15.639 -1.685 1.00 2.08 N ATOM 0 H GLN A 123 2.843 -12.770 -3.366 1.00 1.20 H new ATOM 0 HA GLN A 123 2.214 -14.197 -0.914 1.00 1.12 H new ATOM 0 HB2 GLN A 123 4.642 -12.623 -1.760 1.00 1.28 H new ATOM 0 HB3 GLN A 123 4.479 -13.481 -0.241 1.00 1.28 H new ATOM 0 HG2 GLN A 123 3.676 -15.407 -2.106 1.00 1.26 H new ATOM 0 HG3 GLN A 123 4.940 -14.554 -2.971 1.00 1.26 H new ATOM 0 HE21 GLN A 123 7.062 -15.190 -2.573 1.00 2.08 H new ATOM 0 HE22 GLN A 123 7.555 -16.163 -1.183 1.00 2.08 H new ATOM 1844 N SER A 124 2.378 -10.877 -1.013 1.00 1.04 N ATOM 1845 CA SER A 124 2.114 -9.677 -0.240 1.00 1.00 C ATOM 1846 C SER A 124 0.637 -9.561 0.120 1.00 0.92 C ATOM 1847 O SER A 124 0.289 -9.052 1.178 1.00 0.88 O ATOM 1848 CB SER A 124 2.615 -8.443 -1.003 1.00 1.08 C ATOM 1849 OG SER A 124 3.986 -8.570 -1.342 1.00 1.38 O ATOM 0 H SER A 124 2.747 -10.703 -1.948 1.00 1.04 H new ATOM 0 HA SER A 124 2.660 -9.740 0.701 1.00 1.00 H new ATOM 0 HB2 SER A 124 2.025 -8.309 -1.909 1.00 1.08 H new ATOM 0 HB3 SER A 124 2.470 -7.551 -0.393 1.00 1.08 H new ATOM 0 HG SER A 124 4.084 -9.219 -2.070 1.00 1.38 H new ATOM 1855 N LEU A 125 -0.229 -10.050 -0.755 1.00 0.92 N ATOM 1856 CA LEU A 125 -1.664 -10.133 -0.600 1.00 0.87 C ATOM 1857 C LEU A 125 -2.000 -11.144 0.471 1.00 0.82 C ATOM 1858 O LEU A 125 -2.851 -10.898 1.315 1.00 0.80 O ATOM 1859 CB LEU A 125 -2.251 -10.482 -1.978 1.00 0.96 C ATOM 1860 CG LEU A 125 -3.651 -11.097 -2.074 1.00 1.04 C ATOM 1861 CD1 LEU A 125 -3.652 -12.621 -1.888 1.00 1.04 C ATOM 1862 CD2 LEU A 125 -4.668 -10.447 -1.145 1.00 2.29 C ATOM 0 H LEU A 125 0.079 -10.424 -1.653 1.00 0.92 H new ATOM 0 HA LEU A 125 -2.101 -9.191 -0.269 1.00 0.87 H new ATOM 0 HB2 LEU A 125 -2.256 -9.567 -2.571 1.00 0.96 H new ATOM 0 HB3 LEU A 125 -1.559 -11.171 -2.462 1.00 0.96 H new ATOM 0 HG LEU A 125 -3.967 -10.885 -3.096 1.00 1.04 H new ATOM 0 HD11 LEU A 125 -4.672 -12.996 -1.967 1.00 1.04 H new ATOM 0 HD12 LEU A 125 -3.035 -13.082 -2.659 1.00 1.04 H new ATOM 0 HD13 LEU A 125 -3.249 -12.868 -0.906 1.00 1.04 H new ATOM 0 HD21 LEU A 125 -5.636 -10.934 -1.267 1.00 2.29 H new ATOM 0 HD22 LEU A 125 -4.337 -10.553 -0.112 1.00 2.29 H new ATOM 0 HD23 LEU A 125 -4.760 -9.389 -1.390 1.00 2.29 H new ATOM 1874 N ASN A 126 -1.307 -12.271 0.471 1.00 0.85 N ATOM 1875 CA ASN A 126 -1.525 -13.281 1.496 1.00 0.86 C ATOM 1876 C ASN A 126 -1.259 -12.694 2.881 1.00 0.86 C ATOM 1877 O ASN A 126 -2.041 -12.863 3.815 1.00 0.88 O ATOM 1878 CB ASN A 126 -0.632 -14.502 1.239 1.00 0.87 C ATOM 1879 CG ASN A 126 -1.212 -15.747 1.893 1.00 1.26 C ATOM 1880 OD1 ASN A 126 -2.422 -15.933 1.929 1.00 1.19 O ATOM 1881 ND2 ASN A 126 -0.369 -16.639 2.394 1.00 2.38 N ATOM 0 H ASN A 126 -0.595 -12.509 -0.220 1.00 0.85 H new ATOM 0 HA ASN A 126 -2.565 -13.605 1.456 1.00 0.86 H new ATOM 0 HB2 ASN A 126 -0.531 -14.664 0.166 1.00 0.87 H new ATOM 0 HB3 ASN A 126 0.368 -14.314 1.629 1.00 0.87 H new ATOM 0 HD21 ASN A 126 -0.725 -17.496 2.818 1.00 2.38 H new ATOM 0 HD22 ASN A 126 0.636 -16.469 2.356 1.00 2.38 H new ATOM 1888 N HIS A 127 -0.154 -11.960 3.009 1.00 0.86 N ATOM 1889 CA HIS A 127 0.225 -11.381 4.292 1.00 0.86 C ATOM 1890 C HIS A 127 -0.688 -10.204 4.618 1.00 0.84 C ATOM 1891 O HIS A 127 -0.955 -9.940 5.784 1.00 0.85 O ATOM 1892 CB HIS A 127 1.694 -10.948 4.283 1.00 0.93 C ATOM 1893 CG HIS A 127 2.657 -12.083 4.046 1.00 0.99 C ATOM 1894 ND1 HIS A 127 3.076 -13.018 4.970 1.00 1.27 N ATOM 1895 CD2 HIS A 127 3.328 -12.327 2.882 1.00 0.89 C ATOM 1896 CE1 HIS A 127 3.988 -13.801 4.361 1.00 1.32 C ATOM 1897 NE2 HIS A 127 4.150 -13.434 3.079 1.00 1.06 N ATOM 0 H HIS A 127 0.489 -11.755 2.244 1.00 0.86 H new ATOM 0 HA HIS A 127 0.109 -12.139 5.067 1.00 0.86 H new ATOM 0 HB2 HIS A 127 1.837 -10.194 3.509 1.00 0.93 H new ATOM 0 HB3 HIS A 127 1.930 -10.475 5.236 1.00 0.93 H new ATOM 0 HD2 HIS A 127 3.237 -11.760 1.967 1.00 0.89 H new ATOM 0 HE1 HIS A 127 4.517 -14.613 4.838 1.00 1.32 H new ATOM 0 HE2 HIS A 127 4.755 -13.878 2.388 1.00 1.06 H new ATOM 1905 N LEU A 128 -1.198 -9.517 3.597 1.00 0.83 N ATOM 1906 CA LEU A 128 -2.109 -8.394 3.763 1.00 0.81 C ATOM 1907 C LEU A 128 -3.416 -8.879 4.356 1.00 0.84 C ATOM 1908 O LEU A 128 -3.942 -8.264 5.273 1.00 0.84 O ATOM 1909 CB LEU A 128 -2.339 -7.730 2.402 1.00 0.79 C ATOM 1910 CG LEU A 128 -3.417 -6.641 2.348 1.00 0.81 C ATOM 1911 CD1 LEU A 128 -3.133 -5.491 3.312 1.00 1.87 C ATOM 1912 CD2 LEU A 128 -3.447 -6.131 0.906 1.00 1.15 C ATOM 0 H LEU A 128 -0.986 -9.730 2.622 1.00 0.83 H new ATOM 0 HA LEU A 128 -1.678 -7.660 4.444 1.00 0.81 H new ATOM 0 HB2 LEU A 128 -1.396 -7.294 2.071 1.00 0.79 H new ATOM 0 HB3 LEU A 128 -2.601 -8.506 1.683 1.00 0.79 H new ATOM 0 HG LEU A 128 -4.377 -7.056 2.653 1.00 0.81 H new ATOM 0 HD11 LEU A 128 -3.926 -4.747 3.235 1.00 1.87 H new ATOM 0 HD12 LEU A 128 -3.092 -5.873 4.332 1.00 1.87 H new ATOM 0 HD13 LEU A 128 -2.178 -5.031 3.058 1.00 1.87 H new ATOM 0 HD21 LEU A 128 -4.202 -5.350 0.812 1.00 1.15 H new ATOM 0 HD22 LEU A 128 -2.470 -5.725 0.643 1.00 1.15 H new ATOM 0 HD23 LEU A 128 -3.691 -6.954 0.234 1.00 1.15 H new ATOM 1924 N LEU A 129 -3.932 -9.994 3.846 1.00 0.91 N ATOM 1925 CA LEU A 129 -5.129 -10.615 4.377 1.00 1.01 C ATOM 1926 C LEU A 129 -4.850 -11.164 5.753 1.00 1.02 C ATOM 1927 O LEU A 129 -5.742 -11.163 6.577 1.00 1.07 O ATOM 1928 CB LEU A 129 -5.650 -11.732 3.456 1.00 1.12 C ATOM 1929 CG LEU A 129 -6.899 -11.301 2.680 1.00 1.64 C ATOM 1930 CD1 LEU A 129 -8.112 -11.164 3.611 1.00 3.09 C ATOM 1931 CD2 LEU A 129 -6.633 -9.994 1.930 1.00 2.53 C ATOM 0 H LEU A 129 -3.527 -10.489 3.051 1.00 0.91 H new ATOM 0 HA LEU A 129 -5.905 -9.852 4.437 1.00 1.01 H new ATOM 0 HB2 LEU A 129 -4.867 -12.017 2.753 1.00 1.12 H new ATOM 0 HB3 LEU A 129 -5.880 -12.615 4.052 1.00 1.12 H new ATOM 0 HG LEU A 129 -7.132 -12.077 1.950 1.00 1.64 H new ATOM 0 HD11 LEU A 129 -8.983 -10.857 3.031 1.00 3.09 H new ATOM 0 HD12 LEU A 129 -8.314 -12.123 4.089 1.00 3.09 H new ATOM 0 HD13 LEU A 129 -7.902 -10.415 4.374 1.00 3.09 H new ATOM 0 HD21 LEU A 129 -7.529 -9.700 1.383 1.00 2.53 H new ATOM 0 HD22 LEU A 129 -6.370 -9.213 2.643 1.00 2.53 H new ATOM 0 HD23 LEU A 129 -5.811 -10.138 1.229 1.00 2.53 H new ATOM 1943 N THR A 130 -3.628 -11.599 6.044 1.00 1.01 N ATOM 1944 CA THR A 130 -3.358 -12.090 7.385 1.00 1.06 C ATOM 1945 C THR A 130 -3.442 -10.920 8.364 1.00 1.03 C ATOM 1946 O THR A 130 -4.067 -11.015 9.417 1.00 1.07 O ATOM 1947 CB THR A 130 -2.004 -12.808 7.417 1.00 1.09 C ATOM 1948 OG1 THR A 130 -2.026 -13.893 6.515 1.00 1.12 O ATOM 1949 CG2 THR A 130 -1.702 -13.369 8.808 1.00 1.10 C ATOM 0 H THR A 130 -2.840 -11.622 5.397 1.00 1.01 H new ATOM 0 HA THR A 130 -4.103 -12.826 7.688 1.00 1.06 H new ATOM 0 HB THR A 130 -1.239 -12.081 7.145 1.00 1.09 H new ATOM 0 HG1 THR A 130 -2.017 -13.554 5.595 1.00 1.12 H new ATOM 0 HG21 THR A 130 -0.735 -13.872 8.796 1.00 1.10 H new ATOM 0 HG22 THR A 130 -1.678 -12.554 9.532 1.00 1.10 H new ATOM 0 HG23 THR A 130 -2.478 -14.081 9.089 1.00 1.10 H new ATOM 1957 N ALA A 131 -2.839 -9.786 8.010 1.00 0.98 N ATOM 1958 CA ALA A 131 -2.831 -8.640 8.903 1.00 1.00 C ATOM 1959 C ALA A 131 -4.210 -7.993 8.988 1.00 1.01 C ATOM 1960 O ALA A 131 -4.568 -7.456 10.031 1.00 1.09 O ATOM 1961 CB ALA A 131 -1.776 -7.637 8.430 1.00 1.06 C ATOM 0 H ALA A 131 -2.357 -9.642 7.123 1.00 0.98 H new ATOM 0 HA ALA A 131 -2.576 -8.976 9.908 1.00 1.00 H new ATOM 0 HB1 ALA A 131 -1.767 -6.776 9.098 1.00 1.06 H new ATOM 0 HB2 ALA A 131 -0.795 -8.111 8.437 1.00 1.06 H new ATOM 0 HB3 ALA A 131 -2.014 -7.309 7.418 1.00 1.06 H new ATOM 1967 N LEU A 132 -4.984 -8.027 7.905 1.00 0.97 N ATOM 1968 CA LEU A 132 -6.333 -7.481 7.897 1.00 0.98 C ATOM 1969 C LEU A 132 -7.354 -8.514 8.348 1.00 0.99 C ATOM 1970 O LEU A 132 -8.484 -8.143 8.608 1.00 0.96 O ATOM 1971 CB LEU A 132 -6.701 -6.912 6.520 1.00 1.00 C ATOM 1972 CG LEU A 132 -6.020 -5.562 6.240 1.00 1.55 C ATOM 1973 CD1 LEU A 132 -6.389 -5.102 4.831 1.00 1.94 C ATOM 1974 CD2 LEU A 132 -6.470 -4.474 7.224 1.00 2.25 C ATOM 0 H LEU A 132 -4.693 -8.432 7.015 1.00 0.97 H new ATOM 0 HA LEU A 132 -6.352 -6.659 8.613 1.00 0.98 H new ATOM 0 HB2 LEU A 132 -6.416 -7.626 5.747 1.00 1.00 H new ATOM 0 HB3 LEU A 132 -7.782 -6.790 6.458 1.00 1.00 H new ATOM 0 HG LEU A 132 -4.945 -5.707 6.349 1.00 1.55 H new ATOM 0 HD11 LEU A 132 -5.910 -4.145 4.624 1.00 1.94 H new ATOM 0 HD12 LEU A 132 -6.050 -5.842 4.106 1.00 1.94 H new ATOM 0 HD13 LEU A 132 -7.471 -4.990 4.756 1.00 1.94 H new ATOM 0 HD21 LEU A 132 -5.963 -3.538 6.988 1.00 2.25 H new ATOM 0 HD22 LEU A 132 -7.548 -4.334 7.143 1.00 2.25 H new ATOM 0 HD23 LEU A 132 -6.219 -4.776 8.241 1.00 2.25 H new ATOM 1986 N ASP A 133 -7.004 -9.790 8.492 1.00 1.02 N ATOM 1987 CA ASP A 133 -7.949 -10.779 9.007 1.00 0.97 C ATOM 1988 C ASP A 133 -8.240 -10.449 10.464 1.00 0.90 C ATOM 1989 O ASP A 133 -9.357 -10.645 10.949 1.00 0.85 O ATOM 1990 CB ASP A 133 -7.404 -12.214 8.889 1.00 1.09 C ATOM 1991 CG ASP A 133 -7.819 -12.922 7.598 1.00 1.47 C ATOM 1992 OD1 ASP A 133 -8.835 -12.496 7.005 1.00 2.00 O ATOM 1993 OD2 ASP A 133 -7.157 -13.931 7.263 1.00 2.62 O ATOM 0 H ASP A 133 -6.082 -10.161 8.262 1.00 1.02 H new ATOM 0 HA ASP A 133 -8.861 -10.735 8.412 1.00 0.97 H new ATOM 0 HB2 ASP A 133 -6.316 -12.186 8.945 1.00 1.09 H new ATOM 0 HB3 ASP A 133 -7.752 -12.797 9.742 1.00 1.09 H new ATOM 1998 N THR A 134 -7.221 -9.911 11.142 1.00 0.96 N ATOM 1999 CA THR A 134 -7.284 -9.443 12.514 1.00 0.99 C ATOM 2000 C THR A 134 -8.304 -8.313 12.711 1.00 0.94 C ATOM 2001 O THR A 134 -8.598 -7.982 13.859 1.00 1.00 O ATOM 2002 CB THR A 134 -5.859 -9.124 13.005 1.00 1.13 C ATOM 2003 OG1 THR A 134 -5.686 -9.652 14.303 1.00 1.48 O ATOM 2004 CG2 THR A 134 -5.556 -7.638 13.070 1.00 1.41 C ATOM 0 H THR A 134 -6.298 -9.789 10.726 1.00 0.96 H new ATOM 0 HA THR A 134 -7.673 -10.237 13.152 1.00 0.99 H new ATOM 0 HB THR A 134 -5.180 -9.572 12.280 1.00 1.13 H new ATOM 0 HG1 THR A 134 -4.780 -9.453 14.619 1.00 1.48 H new ATOM 0 HG21 THR A 134 -4.536 -7.490 13.424 1.00 1.41 H new ATOM 0 HG22 THR A 134 -5.663 -7.201 12.077 1.00 1.41 H new ATOM 0 HG23 THR A 134 -6.252 -7.154 13.756 1.00 1.41 H new ATOM 2012 N THR A 135 -8.869 -7.731 11.645 1.00 0.92 N ATOM 2013 CA THR A 135 -9.921 -6.737 11.750 1.00 0.93 C ATOM 2014 C THR A 135 -11.061 -7.144 10.812 1.00 0.91 C ATOM 2015 O THR A 135 -10.853 -7.641 9.714 1.00 1.66 O ATOM 2016 CB THR A 135 -9.355 -5.336 11.448 1.00 1.35 C ATOM 2017 OG1 THR A 135 -8.925 -5.207 10.111 1.00 1.66 O ATOM 2018 CG2 THR A 135 -8.141 -5.019 12.324 1.00 1.70 C ATOM 0 H THR A 135 -8.601 -7.945 10.684 1.00 0.92 H new ATOM 0 HA THR A 135 -10.321 -6.689 12.763 1.00 0.93 H new ATOM 0 HB THR A 135 -10.177 -4.649 11.650 1.00 1.35 H new ATOM 0 HG1 THR A 135 -8.825 -6.097 9.712 1.00 1.66 H new ATOM 0 HG21 THR A 135 -7.769 -4.023 12.083 1.00 1.70 H new ATOM 0 HG22 THR A 135 -8.431 -5.054 13.374 1.00 1.70 H new ATOM 0 HG23 THR A 135 -7.357 -5.754 12.139 1.00 1.70 H new ATOM 2026 N ASP A 136 -12.313 -6.969 11.206 1.00 1.01 N ATOM 2027 CA ASP A 136 -13.446 -7.099 10.300 1.00 1.04 C ATOM 2028 C ASP A 136 -13.682 -5.749 9.625 1.00 1.36 C ATOM 2029 O ASP A 136 -14.763 -5.174 9.696 1.00 1.70 O ATOM 2030 CB ASP A 136 -14.682 -7.649 11.032 1.00 1.17 C ATOM 2031 CG ASP A 136 -15.174 -6.795 12.205 1.00 2.00 C ATOM 2032 OD1 ASP A 136 -16.408 -6.747 12.399 1.00 2.83 O ATOM 2033 OD2 ASP A 136 -14.304 -6.283 12.951 1.00 3.40 O ATOM 0 H ASP A 136 -12.573 -6.733 12.163 1.00 1.01 H new ATOM 0 HA ASP A 136 -13.232 -7.830 9.520 1.00 1.04 H new ATOM 0 HB2 ASP A 136 -15.494 -7.754 10.313 1.00 1.17 H new ATOM 0 HB3 ASP A 136 -14.452 -8.648 11.401 1.00 1.17 H new ATOM 2038 N ALA A 137 -12.640 -5.254 8.950 1.00 1.48 N ATOM 2039 CA ALA A 137 -12.710 -4.084 8.102 1.00 1.86 C ATOM 2040 C ALA A 137 -13.020 -4.558 6.678 1.00 1.68 C ATOM 2041 O ALA A 137 -14.043 -5.196 6.441 1.00 1.65 O ATOM 2042 CB ALA A 137 -11.387 -3.311 8.221 1.00 2.23 C ATOM 0 H ALA A 137 -11.710 -5.672 8.986 1.00 1.48 H new ATOM 0 HA ALA A 137 -13.501 -3.396 8.399 1.00 1.86 H new ATOM 0 HB1 ALA A 137 -11.425 -2.425 7.587 1.00 2.23 H new ATOM 0 HB2 ALA A 137 -11.234 -3.009 9.257 1.00 2.23 H new ATOM 0 HB3 ALA A 137 -10.563 -3.950 7.904 1.00 2.23 H new ATOM 2048 N ASP A 138 -12.123 -4.281 5.732 1.00 1.65 N ATOM 2049 CA ASP A 138 -12.190 -4.739 4.353 1.00 1.55 C ATOM 2050 C ASP A 138 -10.829 -4.494 3.716 1.00 1.54 C ATOM 2051 O ASP A 138 -10.013 -3.748 4.261 1.00 1.71 O ATOM 2052 CB ASP A 138 -13.283 -4.016 3.557 1.00 1.57 C ATOM 2053 CG ASP A 138 -13.574 -4.781 2.269 1.00 1.66 C ATOM 2054 OD1 ASP A 138 -13.287 -4.215 1.193 1.00 2.44 O ATOM 2055 OD2 ASP A 138 -14.004 -5.950 2.384 1.00 2.37 O ATOM 0 H ASP A 138 -11.299 -3.709 5.917 1.00 1.65 H new ATOM 0 HA ASP A 138 -12.444 -5.799 4.341 1.00 1.55 H new ATOM 0 HB2 ASP A 138 -14.190 -3.936 4.156 1.00 1.57 H new ATOM 0 HB3 ASP A 138 -12.964 -3.000 3.324 1.00 1.57 H new ATOM 2060 N VAL A 139 -10.584 -5.109 2.565 1.00 1.38 N ATOM 2061 CA VAL A 139 -9.367 -4.935 1.794 1.00 1.39 C ATOM 2062 C VAL A 139 -9.787 -4.679 0.350 1.00 1.25 C ATOM 2063 O VAL A 139 -10.225 -5.594 -0.349 1.00 1.40 O ATOM 2064 CB VAL A 139 -8.460 -6.165 1.995 1.00 1.35 C ATOM 2065 CG1 VAL A 139 -9.086 -7.460 1.497 1.00 1.36 C ATOM 2066 CG2 VAL A 139 -7.095 -6.019 1.327 1.00 1.77 C ATOM 0 H VAL A 139 -11.244 -5.757 2.135 1.00 1.38 H new ATOM 0 HA VAL A 139 -8.770 -4.083 2.118 1.00 1.39 H new ATOM 0 HB VAL A 139 -8.332 -6.217 3.076 1.00 1.35 H new ATOM 0 HG11 VAL A 139 -8.396 -8.287 1.668 1.00 1.36 H new ATOM 0 HG12 VAL A 139 -10.015 -7.645 2.035 1.00 1.36 H new ATOM 0 HG13 VAL A 139 -9.295 -7.376 0.430 1.00 1.36 H new ATOM 0 HG21 VAL A 139 -6.505 -6.918 1.506 1.00 1.77 H new ATOM 0 HG22 VAL A 139 -7.228 -5.879 0.254 1.00 1.77 H new ATOM 0 HG23 VAL A 139 -6.576 -5.156 1.744 1.00 1.77 H new ATOM 2076 N ALA A 140 -9.661 -3.431 -0.108 1.00 0.99 N ATOM 2077 CA ALA A 140 -9.994 -3.108 -1.489 1.00 0.89 C ATOM 2078 C ALA A 140 -8.687 -2.943 -2.254 1.00 0.89 C ATOM 2079 O ALA A 140 -8.008 -1.929 -2.106 1.00 1.02 O ATOM 2080 CB ALA A 140 -10.906 -1.878 -1.553 1.00 0.85 C ATOM 0 H ALA A 140 -9.336 -2.642 0.450 1.00 0.99 H new ATOM 0 HA ALA A 140 -10.565 -3.909 -1.959 1.00 0.89 H new ATOM 0 HB1 ALA A 140 -11.142 -1.654 -2.593 1.00 0.85 H new ATOM 0 HB2 ALA A 140 -11.827 -2.079 -1.007 1.00 0.85 H new ATOM 0 HB3 ALA A 140 -10.398 -1.024 -1.105 1.00 0.85 H new ATOM 2086 N ILE A 141 -8.319 -3.956 -3.038 1.00 1.09 N ATOM 2087 CA ILE A 141 -7.108 -3.968 -3.843 1.00 1.10 C ATOM 2088 C ILE A 141 -7.452 -3.458 -5.241 1.00 1.26 C ATOM 2089 O ILE A 141 -8.434 -3.880 -5.842 1.00 1.49 O ATOM 2090 CB ILE A 141 -6.476 -5.376 -3.899 1.00 1.23 C ATOM 2091 CG1 ILE A 141 -7.485 -6.534 -4.011 1.00 1.69 C ATOM 2092 CG2 ILE A 141 -5.524 -5.571 -2.713 1.00 2.33 C ATOM 2093 CD1 ILE A 141 -7.990 -7.114 -2.682 1.00 1.10 C ATOM 0 H ILE A 141 -8.871 -4.809 -3.130 1.00 1.09 H new ATOM 0 HA ILE A 141 -6.364 -3.315 -3.387 1.00 1.10 H new ATOM 0 HB ILE A 141 -5.914 -5.417 -4.832 1.00 1.23 H new ATOM 0 HG12 ILE A 141 -8.345 -6.187 -4.584 1.00 1.69 H new ATOM 0 HG13 ILE A 141 -7.024 -7.338 -4.584 1.00 1.69 H new ATOM 0 HG21 ILE A 141 -5.083 -6.567 -2.760 1.00 2.33 H new ATOM 0 HG22 ILE A 141 -4.734 -4.822 -2.754 1.00 2.33 H new ATOM 0 HG23 ILE A 141 -6.078 -5.464 -1.780 1.00 2.33 H new ATOM 0 HD11 ILE A 141 -8.694 -7.922 -2.882 1.00 1.10 H new ATOM 0 HD12 ILE A 141 -7.147 -7.501 -2.110 1.00 1.10 H new ATOM 0 HD13 ILE A 141 -8.488 -6.332 -2.110 1.00 1.10 H new ATOM 2105 N TYR A 142 -6.652 -2.527 -5.748 1.00 1.20 N ATOM 2106 CA TYR A 142 -6.829 -1.853 -7.021 1.00 1.40 C ATOM 2107 C TYR A 142 -5.461 -1.703 -7.673 1.00 1.24 C ATOM 2108 O TYR A 142 -4.492 -1.433 -6.963 1.00 1.27 O ATOM 2109 CB TYR A 142 -7.465 -0.473 -6.783 1.00 1.50 C ATOM 2110 CG TYR A 142 -6.718 0.446 -5.838 1.00 1.91 C ATOM 2111 CD1 TYR A 142 -6.704 0.167 -4.462 1.00 2.81 C ATOM 2112 CD2 TYR A 142 -6.057 1.591 -6.324 1.00 2.75 C ATOM 2113 CE1 TYR A 142 -6.032 1.017 -3.579 1.00 4.11 C ATOM 2114 CE2 TYR A 142 -5.413 2.465 -5.430 1.00 4.07 C ATOM 2115 CZ TYR A 142 -5.428 2.198 -4.044 1.00 4.63 C ATOM 2116 OH TYR A 142 -4.891 3.075 -3.151 1.00 6.04 O ATOM 0 H TYR A 142 -5.819 -2.208 -5.253 1.00 1.20 H new ATOM 0 HA TYR A 142 -7.485 -2.428 -7.674 1.00 1.40 H new ATOM 0 HB2 TYR A 142 -7.565 0.030 -7.745 1.00 1.50 H new ATOM 0 HB3 TYR A 142 -8.473 -0.621 -6.394 1.00 1.50 H new ATOM 0 HD1 TYR A 142 -7.214 -0.707 -4.085 1.00 2.81 H new ATOM 0 HD2 TYR A 142 -6.045 1.798 -7.384 1.00 2.75 H new ATOM 0 HE1 TYR A 142 -5.976 0.764 -2.530 1.00 4.11 H new ATOM 0 HE2 TYR A 142 -4.906 3.342 -5.805 1.00 4.07 H new ATOM 0 HH TYR A 142 -5.385 3.025 -2.306 1.00 6.04 H new ATOM 2126 N CYS A 143 -5.368 -1.836 -8.999 1.00 1.17 N ATOM 2127 CA CYS A 143 -4.188 -1.448 -9.764 1.00 1.07 C ATOM 2128 C CYS A 143 -4.554 -1.221 -11.227 1.00 1.16 C ATOM 2129 O CYS A 143 -5.416 -1.887 -11.801 1.00 1.28 O ATOM 2130 CB CYS A 143 -3.092 -2.518 -9.721 1.00 1.20 C ATOM 2131 SG CYS A 143 -1.821 -2.105 -8.491 1.00 2.18 S ATOM 0 H CYS A 143 -6.118 -2.220 -9.573 1.00 1.17 H new ATOM 0 HA CYS A 143 -3.813 -0.532 -9.307 1.00 1.07 H new ATOM 0 HB2 CYS A 143 -3.533 -3.485 -9.481 1.00 1.20 H new ATOM 0 HB3 CYS A 143 -2.633 -2.612 -10.705 1.00 1.20 H new ATOM 0 HG CYS A 143 -0.827 -2.937 -8.598 1.00 2.18 H new ATOM 2137 N ARG A 144 -3.853 -0.278 -11.851 1.00 1.30 N ATOM 2138 CA ARG A 144 -4.111 0.109 -13.223 1.00 1.42 C ATOM 2139 C ARG A 144 -3.310 -0.754 -14.196 1.00 1.54 C ATOM 2140 O ARG A 144 -2.195 -0.408 -14.567 1.00 1.86 O ATOM 2141 CB ARG A 144 -3.829 1.606 -13.340 1.00 1.63 C ATOM 2142 CG ARG A 144 -4.699 2.264 -14.410 1.00 1.78 C ATOM 2143 CD ARG A 144 -5.065 3.642 -13.867 1.00 2.77 C ATOM 2144 NE ARG A 144 -5.703 4.484 -14.888 1.00 3.35 N ATOM 2145 CZ ARG A 144 -5.041 5.163 -15.833 1.00 3.61 C ATOM 2146 NH1 ARG A 144 -5.714 5.864 -16.747 1.00 4.38 N ATOM 2147 NH2 ARG A 144 -3.709 5.129 -15.872 1.00 3.76 N ATOM 0 H ARG A 144 -3.089 0.237 -11.413 1.00 1.30 H new ATOM 0 HA ARG A 144 -5.152 -0.064 -13.497 1.00 1.42 H new ATOM 0 HB2 ARG A 144 -4.010 2.086 -12.378 1.00 1.63 H new ATOM 0 HB3 ARG A 144 -2.777 1.760 -13.581 1.00 1.63 H new ATOM 0 HG2 ARG A 144 -4.160 2.347 -15.354 1.00 1.78 H new ATOM 0 HG3 ARG A 144 -5.593 1.671 -14.605 1.00 1.78 H new ATOM 0 HD2 ARG A 144 -5.738 3.530 -13.017 1.00 2.77 H new ATOM 0 HD3 ARG A 144 -4.166 4.137 -13.499 1.00 2.77 H new ATOM 0 HE ARG A 144 -6.720 4.556 -14.876 1.00 3.35 H new ATOM 0 HH11 ARG A 144 -6.734 5.883 -16.726 1.00 4.38 H new ATOM 0 HH12 ARG A 144 -5.209 6.381 -17.467 1.00 4.38 H new ATOM 0 HH21 ARG A 144 -3.192 4.585 -15.181 1.00 3.76 H new ATOM 0 HH22 ARG A 144 -3.207 5.647 -16.593 1.00 3.76 H new ATOM 2161 N ASP A 145 -3.896 -1.877 -14.606 1.00 1.47 N ATOM 2162 CA ASP A 145 -3.341 -2.792 -15.615 1.00 1.55 C ATOM 2163 C ASP A 145 -4.454 -3.692 -16.152 1.00 1.49 C ATOM 2164 O ASP A 145 -4.451 -4.102 -17.306 1.00 1.65 O ATOM 2165 CB ASP A 145 -2.211 -3.648 -15.008 1.00 1.75 C ATOM 2166 CG ASP A 145 -1.324 -4.366 -16.042 1.00 2.12 C ATOM 2167 OD1 ASP A 145 -1.724 -4.466 -17.219 1.00 2.76 O ATOM 2168 OD2 ASP A 145 -0.253 -4.867 -15.634 1.00 3.05 O ATOM 0 H ASP A 145 -4.795 -2.189 -14.239 1.00 1.47 H new ATOM 0 HA ASP A 145 -2.922 -2.206 -16.433 1.00 1.55 H new ATOM 0 HB2 ASP A 145 -1.581 -3.009 -14.390 1.00 1.75 H new ATOM 0 HB3 ASP A 145 -2.653 -4.394 -14.348 1.00 1.75 H new ATOM 2173 N LYS A 146 -5.439 -4.029 -15.312 1.00 1.44 N ATOM 2174 CA LYS A 146 -6.533 -4.928 -15.630 1.00 1.44 C ATOM 2175 C LYS A 146 -6.116 -6.385 -15.611 1.00 1.53 C ATOM 2176 O LYS A 146 -6.841 -7.196 -15.051 1.00 1.53 O ATOM 2177 CB LYS A 146 -7.269 -4.507 -16.907 1.00 1.41 C ATOM 2178 CG LYS A 146 -8.606 -5.240 -16.992 1.00 1.48 C ATOM 2179 CD LYS A 146 -9.556 -4.513 -17.945 1.00 1.80 C ATOM 2180 CE LYS A 146 -10.722 -3.993 -17.105 1.00 2.18 C ATOM 2181 NZ LYS A 146 -11.849 -3.529 -17.946 1.00 2.90 N ATOM 0 H LYS A 146 -5.490 -3.666 -14.360 1.00 1.44 H new ATOM 0 HA LYS A 146 -7.265 -4.838 -14.828 1.00 1.44 H new ATOM 0 HB2 LYS A 146 -7.433 -3.429 -16.906 1.00 1.41 H new ATOM 0 HB3 LYS A 146 -6.661 -4.736 -17.782 1.00 1.41 H new ATOM 0 HG2 LYS A 146 -8.446 -6.261 -17.338 1.00 1.48 H new ATOM 0 HG3 LYS A 146 -9.055 -5.305 -16.001 1.00 1.48 H new ATOM 0 HD2 LYS A 146 -9.045 -3.691 -18.446 1.00 1.80 H new ATOM 0 HD3 LYS A 146 -9.912 -5.188 -18.723 1.00 1.80 H new ATOM 0 HE2 LYS A 146 -11.069 -4.782 -16.438 1.00 2.18 H new ATOM 0 HE3 LYS A 146 -10.378 -3.172 -16.476 1.00 2.18 H new ATOM 0 HZ1 LYS A 146 -12.618 -3.185 -17.337 1.00 2.90 H new ATOM 0 HZ2 LYS A 146 -11.526 -2.758 -18.565 1.00 2.90 H new ATOM 0 HZ3 LYS A 146 -12.196 -4.318 -18.528 1.00 2.90 H new ATOM 2195 N LYS A 147 -4.929 -6.737 -16.097 1.00 1.65 N ATOM 2196 CA LYS A 147 -4.392 -8.059 -15.804 1.00 1.80 C ATOM 2197 C LYS A 147 -4.313 -8.295 -14.302 1.00 1.76 C ATOM 2198 O LYS A 147 -4.683 -9.366 -13.842 1.00 1.70 O ATOM 2199 CB LYS A 147 -3.031 -8.233 -16.478 1.00 1.96 C ATOM 2200 CG LYS A 147 -3.238 -8.527 -17.967 1.00 2.20 C ATOM 2201 CD LYS A 147 -2.044 -8.028 -18.775 1.00 3.01 C ATOM 2202 CE LYS A 147 -2.189 -8.509 -20.220 1.00 3.52 C ATOM 2203 NZ LYS A 147 -1.114 -7.970 -21.078 1.00 4.46 N ATOM 0 H LYS A 147 -4.337 -6.144 -16.678 1.00 1.65 H new ATOM 0 HA LYS A 147 -5.068 -8.812 -16.210 1.00 1.80 H new ATOM 0 HB2 LYS A 147 -2.432 -7.331 -16.353 1.00 1.96 H new ATOM 0 HB3 LYS A 147 -2.481 -9.048 -16.008 1.00 1.96 H new ATOM 0 HG2 LYS A 147 -3.366 -9.599 -18.119 1.00 2.20 H new ATOM 0 HG3 LYS A 147 -4.150 -8.044 -18.317 1.00 2.20 H new ATOM 0 HD2 LYS A 147 -1.995 -6.940 -18.743 1.00 3.01 H new ATOM 0 HD3 LYS A 147 -1.115 -8.401 -18.345 1.00 3.01 H new ATOM 0 HE2 LYS A 147 -2.166 -9.598 -20.246 1.00 3.52 H new ATOM 0 HE3 LYS A 147 -3.158 -8.201 -20.612 1.00 3.52 H new ATOM 0 HZ1 LYS A 147 -1.241 -8.315 -22.051 1.00 4.46 H new ATOM 0 HZ2 LYS A 147 -1.152 -6.931 -21.071 1.00 4.46 H new ATOM 0 HZ3 LYS A 147 -0.191 -8.285 -20.717 1.00 4.46 H new ATOM 2217 N TRP A 148 -3.880 -7.303 -13.521 1.00 1.79 N ATOM 2218 CA TRP A 148 -3.712 -7.508 -12.082 1.00 1.78 C ATOM 2219 C TRP A 148 -5.077 -7.674 -11.439 1.00 1.76 C ATOM 2220 O TRP A 148 -5.241 -8.440 -10.498 1.00 1.72 O ATOM 2221 CB TRP A 148 -2.969 -6.336 -11.422 1.00 1.77 C ATOM 2222 CG TRP A 148 -1.551 -6.077 -11.843 1.00 2.87 C ATOM 2223 CD1 TRP A 148 -1.043 -6.277 -13.078 1.00 3.90 C ATOM 2224 CD2 TRP A 148 -0.458 -5.478 -11.072 1.00 3.56 C ATOM 2225 NE1 TRP A 148 0.246 -5.804 -13.142 1.00 5.22 N ATOM 2226 CE2 TRP A 148 0.670 -5.314 -11.929 1.00 5.07 C ATOM 2227 CE3 TRP A 148 -0.316 -5.014 -9.747 1.00 3.22 C ATOM 2228 CZ2 TRP A 148 1.867 -4.717 -11.504 1.00 6.12 C ATOM 2229 CZ3 TRP A 148 0.878 -4.414 -9.305 1.00 4.19 C ATOM 2230 CH2 TRP A 148 1.969 -4.263 -10.179 1.00 5.62 C ATOM 0 H TRP A 148 -3.644 -6.368 -13.852 1.00 1.79 H new ATOM 0 HA TRP A 148 -3.112 -8.406 -11.935 1.00 1.78 H new ATOM 0 HB2 TRP A 148 -3.544 -5.429 -11.607 1.00 1.77 H new ATOM 0 HB3 TRP A 148 -2.973 -6.502 -10.345 1.00 1.77 H new ATOM 0 HD1 TRP A 148 -1.573 -6.741 -13.897 1.00 3.90 H new ATOM 0 HE1 TRP A 148 0.818 -5.815 -13.986 1.00 5.22 H new ATOM 0 HE3 TRP A 148 -1.141 -5.121 -9.058 1.00 3.22 H new ATOM 0 HZ2 TRP A 148 2.697 -4.608 -12.186 1.00 6.12 H new ATOM 0 HZ3 TRP A 148 0.957 -4.067 -8.285 1.00 4.19 H new ATOM 0 HH2 TRP A 148 2.881 -3.800 -9.833 1.00 5.62 H new ATOM 2241 N GLU A 149 -6.061 -6.960 -11.975 1.00 1.82 N ATOM 2242 CA GLU A 149 -7.429 -7.012 -11.500 1.00 1.82 C ATOM 2243 C GLU A 149 -7.970 -8.407 -11.764 1.00 1.81 C ATOM 2244 O GLU A 149 -8.678 -8.980 -10.944 1.00 1.80 O ATOM 2245 CB GLU A 149 -8.266 -5.969 -12.246 1.00 1.96 C ATOM 2246 CG GLU A 149 -7.780 -4.548 -11.948 1.00 3.15 C ATOM 2247 CD GLU A 149 -8.283 -4.086 -10.583 1.00 4.36 C ATOM 2248 OE1 GLU A 149 -7.439 -3.663 -9.764 1.00 5.80 O ATOM 2249 OE2 GLU A 149 -9.519 -4.148 -10.399 1.00 4.27 O ATOM 0 H GLU A 149 -5.924 -6.323 -12.760 1.00 1.82 H new ATOM 0 HA GLU A 149 -7.474 -6.795 -10.433 1.00 1.82 H new ATOM 0 HB2 GLU A 149 -8.213 -6.156 -13.318 1.00 1.96 H new ATOM 0 HB3 GLU A 149 -9.313 -6.066 -11.957 1.00 1.96 H new ATOM 0 HG2 GLU A 149 -6.691 -4.518 -11.970 1.00 3.15 H new ATOM 0 HG3 GLU A 149 -8.133 -3.867 -12.722 1.00 3.15 H new ATOM 2256 N MET A 150 -7.631 -8.970 -12.921 1.00 1.84 N ATOM 2257 CA MET A 150 -8.100 -10.280 -13.302 1.00 1.85 C ATOM 2258 C MET A 150 -7.490 -11.318 -12.376 1.00 1.81 C ATOM 2259 O MET A 150 -8.217 -12.109 -11.793 1.00 1.79 O ATOM 2260 CB MET A 150 -7.765 -10.581 -14.772 1.00 1.87 C ATOM 2261 CG MET A 150 -9.039 -10.630 -15.611 1.00 1.81 C ATOM 2262 SD MET A 150 -8.735 -11.074 -17.341 1.00 2.35 S ATOM 2263 CE MET A 150 -10.377 -11.684 -17.796 1.00 2.59 C ATOM 0 H MET A 150 -7.026 -8.525 -13.611 1.00 1.84 H new ATOM 0 HA MET A 150 -9.185 -10.313 -13.207 1.00 1.85 H new ATOM 0 HB2 MET A 150 -7.095 -9.815 -15.163 1.00 1.87 H new ATOM 0 HB3 MET A 150 -7.238 -11.533 -14.844 1.00 1.87 H new ATOM 0 HG2 MET A 150 -9.728 -11.352 -15.173 1.00 1.81 H new ATOM 0 HG3 MET A 150 -9.530 -9.657 -15.573 1.00 1.81 H new ATOM 0 HE1 MET A 150 -10.371 -12.002 -18.838 1.00 2.59 H new ATOM 0 HE2 MET A 150 -10.640 -12.529 -17.160 1.00 2.59 H new ATOM 0 HE3 MET A 150 -11.110 -10.888 -17.664 1.00 2.59 H new ATOM 2273 N THR A 151 -6.172 -11.350 -12.209 1.00 1.80 N ATOM 2274 CA THR A 151 -5.572 -12.386 -11.395 1.00 1.72 C ATOM 2275 C THR A 151 -6.035 -12.282 -9.952 1.00 1.61 C ATOM 2276 O THR A 151 -6.384 -13.286 -9.336 1.00 1.55 O ATOM 2277 CB THR A 151 -4.052 -12.280 -11.516 1.00 1.76 C ATOM 2278 OG1 THR A 151 -3.696 -12.060 -12.864 1.00 1.86 O ATOM 2279 CG2 THR A 151 -3.377 -13.558 -11.047 1.00 1.76 C ATOM 0 H THR A 151 -5.516 -10.684 -12.618 1.00 1.80 H new ATOM 0 HA THR A 151 -5.888 -13.367 -11.750 1.00 1.72 H new ATOM 0 HB THR A 151 -3.724 -11.449 -10.891 1.00 1.76 H new ATOM 0 HG1 THR A 151 -2.721 -11.991 -12.938 1.00 1.86 H new ATOM 0 HG21 THR A 151 -2.296 -13.455 -11.144 1.00 1.76 H new ATOM 0 HG22 THR A 151 -3.632 -13.742 -10.003 1.00 1.76 H new ATOM 0 HG23 THR A 151 -3.718 -14.395 -11.657 1.00 1.76 H new ATOM 2287 N LEU A 152 -6.094 -11.065 -9.416 1.00 1.58 N ATOM 2288 CA LEU A 152 -6.586 -10.869 -8.065 1.00 1.49 C ATOM 2289 C LEU A 152 -8.039 -11.300 -7.963 1.00 1.47 C ATOM 2290 O LEU A 152 -8.419 -11.874 -6.949 1.00 1.41 O ATOM 2291 CB LEU A 152 -6.420 -9.410 -7.626 1.00 1.49 C ATOM 2292 CG LEU A 152 -4.946 -9.059 -7.390 1.00 1.88 C ATOM 2293 CD1 LEU A 152 -4.780 -7.540 -7.378 1.00 2.62 C ATOM 2294 CD2 LEU A 152 -4.453 -9.634 -6.055 1.00 2.32 C ATOM 0 H LEU A 152 -5.809 -10.211 -9.895 1.00 1.58 H new ATOM 0 HA LEU A 152 -5.993 -11.490 -7.393 1.00 1.49 H new ATOM 0 HB2 LEU A 152 -6.835 -8.750 -8.388 1.00 1.49 H new ATOM 0 HB3 LEU A 152 -6.987 -9.237 -6.711 1.00 1.49 H new ATOM 0 HG LEU A 152 -4.354 -9.494 -8.196 1.00 1.88 H new ATOM 0 HD11 LEU A 152 -3.732 -7.290 -7.210 1.00 2.62 H new ATOM 0 HD12 LEU A 152 -5.102 -7.131 -8.336 1.00 2.62 H new ATOM 0 HD13 LEU A 152 -5.387 -7.114 -6.579 1.00 2.62 H new ATOM 0 HD21 LEU A 152 -3.405 -9.372 -5.911 1.00 2.32 H new ATOM 0 HD22 LEU A 152 -5.046 -9.220 -5.239 1.00 2.32 H new ATOM 0 HD23 LEU A 152 -4.557 -10.719 -6.066 1.00 2.32 H new ATOM 2306 N LYS A 153 -8.862 -11.059 -8.989 1.00 1.56 N ATOM 2307 CA LYS A 153 -10.260 -11.468 -8.889 1.00 1.61 C ATOM 2308 C LYS A 153 -10.353 -12.978 -9.010 1.00 1.60 C ATOM 2309 O LYS A 153 -11.265 -13.586 -8.468 1.00 1.60 O ATOM 2310 CB LYS A 153 -11.183 -10.695 -9.856 1.00 1.75 C ATOM 2311 CG LYS A 153 -11.337 -11.151 -11.311 1.00 2.64 C ATOM 2312 CD LYS A 153 -12.166 -12.416 -11.561 1.00 3.59 C ATOM 2313 CE LYS A 153 -12.299 -12.589 -13.077 1.00 5.42 C ATOM 2314 NZ LYS A 153 -13.075 -13.797 -13.428 1.00 6.67 N ATOM 0 H LYS A 153 -8.597 -10.602 -9.862 1.00 1.56 H new ATOM 0 HA LYS A 153 -10.640 -11.196 -7.904 1.00 1.61 H new ATOM 0 HB2 LYS A 153 -12.179 -10.687 -9.414 1.00 1.75 H new ATOM 0 HB3 LYS A 153 -10.835 -9.662 -9.877 1.00 1.75 H new ATOM 0 HG2 LYS A 153 -11.787 -10.334 -11.876 1.00 2.64 H new ATOM 0 HG3 LYS A 153 -10.341 -11.312 -11.722 1.00 2.64 H new ATOM 0 HD2 LYS A 153 -11.681 -13.286 -11.117 1.00 3.59 H new ATOM 0 HD3 LYS A 153 -13.149 -12.328 -11.098 1.00 3.59 H new ATOM 0 HE2 LYS A 153 -12.784 -11.710 -13.502 1.00 5.42 H new ATOM 0 HE3 LYS A 153 -11.307 -12.652 -13.524 1.00 5.42 H new ATOM 0 HZ1 LYS A 153 -13.142 -13.878 -14.463 1.00 6.67 H new ATOM 0 HZ2 LYS A 153 -12.599 -14.639 -13.045 1.00 6.67 H new ATOM 0 HZ3 LYS A 153 -14.031 -13.725 -13.024 1.00 6.67 H new ATOM 2328 N GLU A 154 -9.425 -13.600 -9.735 1.00 1.63 N ATOM 2329 CA GLU A 154 -9.497 -15.022 -10.008 1.00 1.64 C ATOM 2330 C GLU A 154 -9.094 -15.794 -8.767 1.00 1.59 C ATOM 2331 O GLU A 154 -9.637 -16.857 -8.493 1.00 1.71 O ATOM 2332 CB GLU A 154 -8.603 -15.412 -11.189 1.00 1.65 C ATOM 2333 CG GLU A 154 -9.406 -16.361 -12.088 1.00 1.73 C ATOM 2334 CD GLU A 154 -8.537 -17.132 -13.078 1.00 2.65 C ATOM 2335 OE1 GLU A 154 -7.700 -16.486 -13.742 1.00 3.84 O ATOM 2336 OE2 GLU A 154 -8.743 -18.368 -13.145 1.00 3.02 O ATOM 0 H GLU A 154 -8.614 -13.134 -10.142 1.00 1.63 H new ATOM 0 HA GLU A 154 -10.524 -15.270 -10.277 1.00 1.64 H new ATOM 0 HB2 GLU A 154 -8.296 -14.526 -11.745 1.00 1.65 H new ATOM 0 HB3 GLU A 154 -7.693 -15.898 -10.836 1.00 1.65 H new ATOM 0 HG2 GLU A 154 -9.949 -17.070 -11.463 1.00 1.73 H new ATOM 0 HG3 GLU A 154 -10.150 -15.786 -12.639 1.00 1.73 H new ATOM 2343 N ALA A 155 -8.140 -15.256 -8.014 1.00 1.47 N ATOM 2344 CA ALA A 155 -7.701 -15.835 -6.762 1.00 1.41 C ATOM 2345 C ALA A 155 -8.715 -15.559 -5.671 1.00 1.33 C ATOM 2346 O ALA A 155 -9.034 -16.463 -4.910 1.00 1.31 O ATOM 2347 CB ALA A 155 -6.319 -15.293 -6.387 1.00 1.39 C ATOM 0 H ALA A 155 -7.649 -14.398 -8.264 1.00 1.47 H new ATOM 0 HA ALA A 155 -7.620 -16.916 -6.878 1.00 1.41 H new ATOM 0 HB1 ALA A 155 -5.998 -15.735 -5.444 1.00 1.39 H new ATOM 0 HB2 ALA A 155 -5.604 -15.548 -7.169 1.00 1.39 H new ATOM 0 HB3 ALA A 155 -6.370 -14.209 -6.281 1.00 1.39 H new ATOM 2353 N VAL A 156 -9.266 -14.348 -5.607 1.00 1.31 N ATOM 2354 CA VAL A 156 -10.334 -14.055 -4.665 1.00 1.27 C ATOM 2355 C VAL A 156 -11.527 -14.966 -4.959 1.00 1.35 C ATOM 2356 O VAL A 156 -12.227 -15.379 -4.040 1.00 1.37 O ATOM 2357 CB VAL A 156 -10.662 -12.552 -4.716 1.00 1.26 C ATOM 2358 CG1 VAL A 156 -12.059 -12.236 -4.189 1.00 1.26 C ATOM 2359 CG2 VAL A 156 -9.629 -11.795 -3.875 1.00 1.17 C ATOM 0 H VAL A 156 -8.990 -13.561 -6.194 1.00 1.31 H new ATOM 0 HA VAL A 156 -10.030 -14.266 -3.640 1.00 1.27 H new ATOM 0 HB VAL A 156 -10.630 -12.242 -5.760 1.00 1.26 H new ATOM 0 HG11 VAL A 156 -12.236 -11.162 -4.249 1.00 1.26 H new ATOM 0 HG12 VAL A 156 -12.802 -12.760 -4.790 1.00 1.26 H new ATOM 0 HG13 VAL A 156 -12.138 -12.560 -3.151 1.00 1.26 H new ATOM 0 HG21 VAL A 156 -9.849 -10.728 -3.902 1.00 1.17 H new ATOM 0 HG22 VAL A 156 -9.670 -12.148 -2.844 1.00 1.17 H new ATOM 0 HG23 VAL A 156 -8.632 -11.970 -4.279 1.00 1.17 H new ATOM 2369 N ALA A 157 -11.739 -15.328 -6.224 1.00 1.45 N ATOM 2370 CA ALA A 157 -12.846 -16.197 -6.588 1.00 1.59 C ATOM 2371 C ALA A 157 -12.526 -17.630 -6.181 1.00 1.66 C ATOM 2372 O ALA A 157 -13.333 -18.310 -5.559 1.00 1.71 O ATOM 2373 CB ALA A 157 -13.110 -16.089 -8.092 1.00 1.77 C ATOM 0 H ALA A 157 -11.158 -15.032 -7.008 1.00 1.45 H new ATOM 0 HA ALA A 157 -13.750 -15.889 -6.062 1.00 1.59 H new ATOM 0 HB1 ALA A 157 -13.940 -16.741 -8.363 1.00 1.77 H new ATOM 0 HB2 ALA A 157 -13.360 -15.059 -8.344 1.00 1.77 H new ATOM 0 HB3 ALA A 157 -12.218 -16.390 -8.641 1.00 1.77 H new ATOM 2379 N ARG A 158 -11.327 -18.105 -6.514 1.00 1.69 N ATOM 2380 CA ARG A 158 -10.909 -19.459 -6.194 1.00 1.82 C ATOM 2381 C ARG A 158 -10.567 -19.608 -4.707 1.00 1.81 C ATOM 2382 O ARG A 158 -10.201 -20.696 -4.270 1.00 2.09 O ATOM 2383 CB ARG A 158 -9.749 -19.879 -7.110 1.00 1.92 C ATOM 2384 CG ARG A 158 -9.924 -21.315 -7.613 1.00 2.00 C ATOM 2385 CD ARG A 158 -8.777 -21.686 -8.563 1.00 2.15 C ATOM 2386 NE ARG A 158 -9.252 -22.095 -9.897 1.00 3.14 N ATOM 2387 CZ ARG A 158 -9.374 -21.290 -10.963 1.00 4.69 C ATOM 2388 NH1 ARG A 158 -9.651 -21.795 -12.165 1.00 6.01 N ATOM 2389 NH2 ARG A 158 -9.212 -19.977 -10.843 1.00 5.41 N ATOM 0 H ARG A 158 -10.623 -17.560 -7.012 1.00 1.69 H new ATOM 0 HA ARG A 158 -11.742 -20.137 -6.379 1.00 1.82 H new ATOM 0 HB2 ARG A 158 -9.690 -19.199 -7.960 1.00 1.92 H new ATOM 0 HB3 ARG A 158 -8.807 -19.794 -6.568 1.00 1.92 H new ATOM 0 HG2 ARG A 158 -9.944 -22.004 -6.769 1.00 2.00 H new ATOM 0 HG3 ARG A 158 -10.879 -21.414 -8.128 1.00 2.00 H new ATOM 0 HD2 ARG A 158 -8.106 -20.833 -8.667 1.00 2.15 H new ATOM 0 HD3 ARG A 158 -8.196 -22.497 -8.125 1.00 2.15 H new ATOM 0 HE ARG A 158 -9.510 -23.074 -10.020 1.00 3.14 H new ATOM 0 HH11 ARG A 158 -9.772 -22.801 -12.280 1.00 6.01 H new ATOM 0 HH12 ARG A 158 -9.742 -21.175 -12.970 1.00 6.01 H new ATOM 0 HH21 ARG A 158 -8.992 -19.571 -9.933 1.00 5.41 H new ATOM 0 HH22 ARG A 158 -9.307 -19.375 -11.661 1.00 5.41 H new ATOM 2403 N ARG A 159 -10.636 -18.517 -3.937 1.00 1.54 N ATOM 2404 CA ARG A 159 -10.574 -18.535 -2.481 1.00 1.51 C ATOM 2405 C ARG A 159 -11.927 -18.816 -1.825 1.00 1.54 C ATOM 2406 O ARG A 159 -11.940 -18.957 -0.604 1.00 1.65 O ATOM 2407 CB ARG A 159 -10.011 -17.201 -1.960 1.00 1.47 C ATOM 2408 CG ARG A 159 -8.480 -17.176 -1.888 1.00 2.10 C ATOM 2409 CD ARG A 159 -7.962 -18.133 -0.806 1.00 2.60 C ATOM 2410 NE ARG A 159 -7.543 -19.427 -1.365 1.00 3.81 N ATOM 2411 CZ ARG A 159 -7.234 -20.508 -0.639 1.00 4.70 C ATOM 2412 NH1 ARG A 159 -6.757 -21.601 -1.239 1.00 6.09 N ATOM 2413 NH2 ARG A 159 -7.390 -20.493 0.685 1.00 4.58 N ATOM 0 H ARG A 159 -10.739 -17.578 -4.322 1.00 1.54 H new ATOM 0 HA ARG A 159 -9.911 -19.356 -2.208 1.00 1.51 H new ATOM 0 HB2 ARG A 159 -10.351 -16.393 -2.608 1.00 1.47 H new ATOM 0 HB3 ARG A 159 -10.418 -17.006 -0.968 1.00 1.47 H new ATOM 0 HG2 ARG A 159 -8.063 -17.456 -2.855 1.00 2.10 H new ATOM 0 HG3 ARG A 159 -8.139 -16.163 -1.675 1.00 2.10 H new ATOM 0 HD2 ARG A 159 -7.120 -17.673 -0.289 1.00 2.60 H new ATOM 0 HD3 ARG A 159 -8.743 -18.296 -0.063 1.00 2.60 H new ATOM 0 HE ARG A 159 -7.484 -19.506 -2.380 1.00 3.81 H new ATOM 0 HH11 ARG A 159 -6.628 -21.612 -2.251 1.00 6.09 H new ATOM 0 HH12 ARG A 159 -6.521 -22.425 -0.686 1.00 6.09 H new ATOM 0 HH21 ARG A 159 -7.746 -19.656 1.147 1.00 4.58 H new ATOM 0 HH22 ARG A 159 -7.154 -21.318 1.236 1.00 4.58 H new ATOM 2427 N GLU A 160 -13.043 -18.871 -2.562 1.00 1.58 N ATOM 2428 CA GLU A 160 -14.265 -19.434 -1.995 1.00 1.82 C ATOM 2429 C GLU A 160 -14.008 -20.876 -1.557 1.00 2.92 C ATOM 2430 O GLU A 160 -14.578 -21.261 -0.514 1.00 3.15 O ATOM 2431 CB GLU A 160 -15.440 -19.364 -2.986 1.00 2.39 C ATOM 2432 CG GLU A 160 -16.044 -17.955 -3.068 1.00 2.74 C ATOM 2433 CD GLU A 160 -17.320 -17.926 -3.921 1.00 3.92 C ATOM 2434 OE1 GLU A 160 -18.360 -18.413 -3.422 1.00 4.19 O ATOM 2435 OE2 GLU A 160 -17.255 -17.393 -5.053 1.00 5.13 O ATOM 0 H GLU A 160 -13.122 -18.542 -3.524 1.00 1.58 H new ATOM 0 HA GLU A 160 -14.546 -18.838 -1.127 1.00 1.82 H new ATOM 0 HB2 GLU A 160 -15.098 -19.669 -3.975 1.00 2.39 H new ATOM 0 HB3 GLU A 160 -16.212 -20.072 -2.683 1.00 2.39 H new ATOM 0 HG2 GLU A 160 -16.271 -17.599 -2.063 1.00 2.74 H new ATOM 0 HG3 GLU A 160 -15.309 -17.270 -3.491 1.00 2.74 H new TER 2442 GLU A 160