USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 935 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 NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A1159 ZNZN :(H bumps) USER MOD NoAdj-H: A 86 HIS HE2 : A 86 HIS NE2 : A1159 ZNZN :(H bumps) USER MOD NoAdj-H: A 88 HIS HD1 : A 88 HIS ND1 : A1159 ZNZN :(H bumps) USER MOD Set 1.1: A 60 SER OG : rot 90:sc= 0.729 USER MOD Set 1.2: A 69 GLN : amide:sc= -0.14 K(o=0.59,f=-0.32) USER MOD Single : A 40 SER OG : rot 23:sc= 0.162 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0.587 K(o=0.59,f=-0.49) USER MOD Single : A 49 GLN : amide:sc= 0.561 K(o=0.56,f=-1.8!) USER MOD Single : A 50 LYS NZ :NH3+ -160:sc= -0.073 (180deg=-0.421) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.2) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 28:sc= 1.26 USER MOD Single : A 77 GLN : amide:sc= -0.346 K(o=-0.35,f=-1) USER MOD Single : A 79 TYR OH : rot 30:sc= -3.04! USER MOD Single : A 81 THR OG1 : rot -31:sc= 0.631 USER MOD Single : A 82 SER OG : rot 84:sc= 0.9 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot -140:sc= -0.324 USER MOD Single : A 91 ASN : amide:sc= -0.795 K(o=-0.79,f=-3.5!) USER MOD Single : A 93 LYS NZ :NH3+ -139:sc= -0.326 (180deg=-3.21!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 177:sc= 0.0894 USER MOD Single : A 106 MET CE :methyl -131:sc= -6.24 (180deg=-15.4!) USER MOD Single : A 107 LYS NZ :NH3+ 165:sc= -0.0569 (180deg=-0.29) USER MOD Single : A 110 ASN : amide:sc= -0.0177 X(o=-0.018,f=-0.018) USER MOD Single : A 111 TYR OH : rot 23:sc= 0.644 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 114 LYS NZ :NH3+ -161:sc= -0.0756 (180deg=-0.511) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.947 X(o=-0.95,f=-0.69) USER MOD Single : A 123 LYS NZ :NH3+ 161:sc= -0.0875 (180deg=-0.445) USER MOD Single : A 126 TYR OH : rot -39:sc= 0.235 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 LYS NZ :NH3+ 165:sc= 1.26 (180deg=1.23) USER MOD Single : A 134 TYR OH : rot -19:sc= -3.19! USER MOD Single : A 135 TYR OH : rot 15:sc= -0.147 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ -124:sc= -0.152 (180deg=-1.96!) USER MOD Single : A 143 HIS : no HD1:sc= -0.164 K(o=-0.16,f=-4.1!) USER MOD Single : A 146 ASN : amide:sc= -2.44! C(o=-2.4!,f=-13!) USER MOD Single : A 149 THR OG1 : rot 132:sc= 0.125 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN :FLIP amide:sc= -0.0561 F(o=-1.6!,f=-0.056) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 40 -25.713 -5.041 -2.337 1.00 13.12 N ATOM 2 CA SER A 40 -25.186 -5.335 -0.990 1.00 12.82 C ATOM 3 C SER A 40 -23.665 -5.222 -0.983 1.00 12.18 C ATOM 4 O SER A 40 -23.027 -5.263 -2.036 1.00 11.93 O ATOM 5 CB SER A 40 -25.614 -6.741 -0.570 1.00 13.03 C ATOM 6 OG SER A 40 -27.019 -6.902 -0.697 1.00 13.46 O ATOM 0 HA SER A 40 -25.589 -4.611 -0.281 1.00 12.82 H new ATOM 0 HB2 SER A 40 -25.102 -7.480 -1.186 1.00 13.03 H new ATOM 0 HB3 SER A 40 -25.315 -6.923 0.462 1.00 13.03 H new ATOM 0 HG SER A 40 -27.366 -6.251 -1.342 1.00 13.46 H new ATOM 13 N TYR A 41 -23.091 -5.070 0.203 1.00 12.10 N ATOM 14 CA TYR A 41 -21.648 -4.934 0.348 1.00 11.74 C ATOM 15 C TYR A 41 -21.098 -6.077 1.198 1.00 11.26 C ATOM 16 O TYR A 41 -20.612 -5.872 2.314 1.00 11.61 O ATOM 17 CB TYR A 41 -21.304 -3.585 0.983 1.00 12.43 C ATOM 18 CG TYR A 41 -21.912 -2.404 0.264 1.00 13.20 C ATOM 19 CD1 TYR A 41 -21.349 -1.903 -0.902 1.00 13.55 C ATOM 20 CD2 TYR A 41 -23.060 -1.800 0.751 1.00 13.72 C ATOM 21 CE1 TYR A 41 -21.916 -0.828 -1.560 1.00 14.41 C ATOM 22 CE2 TYR A 41 -23.635 -0.728 0.099 1.00 14.56 C ATOM 23 CZ TYR A 41 -23.060 -0.246 -1.055 1.00 14.90 C ATOM 24 OH TYR A 41 -23.630 0.823 -1.709 1.00 15.87 O ATOM 0 H TYR A 41 -23.606 -5.038 1.083 1.00 12.10 H new ATOM 0 HA TYR A 41 -21.189 -4.979 -0.639 1.00 11.74 H new ATOM 0 HB2 TYR A 41 -21.644 -3.583 2.019 1.00 12.43 H new ATOM 0 HB3 TYR A 41 -20.220 -3.468 1.003 1.00 12.43 H new ATOM 0 HD1 TYR A 41 -20.455 -2.360 -1.301 1.00 13.55 H new ATOM 0 HD2 TYR A 41 -23.513 -2.175 1.657 1.00 13.72 H new ATOM 0 HE1 TYR A 41 -21.466 -0.446 -2.464 1.00 14.41 H new ATOM 0 HE2 TYR A 41 -24.531 -0.270 0.492 1.00 14.56 H new ATOM 0 HH TYR A 41 -24.430 1.115 -1.224 1.00 15.87 H new ATOM 34 N ILE A 42 -21.179 -7.284 0.658 1.00 10.66 N ATOM 35 CA ILE A 42 -20.758 -8.474 1.380 1.00 10.40 C ATOM 36 C ILE A 42 -19.239 -8.608 1.362 1.00 10.44 C ATOM 37 O ILE A 42 -18.624 -9.013 2.350 1.00 10.49 O ATOM 38 CB ILE A 42 -21.420 -9.756 0.805 1.00 9.97 C ATOM 39 CG1 ILE A 42 -20.880 -11.008 1.507 1.00 9.82 C ATOM 40 CG2 ILE A 42 -21.213 -9.851 -0.702 1.00 10.25 C ATOM 41 CD1 ILE A 42 -21.518 -12.298 1.032 1.00 10.06 C ATOM 0 H ILE A 42 -21.534 -7.465 -0.281 1.00 10.66 H new ATOM 0 HA ILE A 42 -21.088 -8.362 2.413 1.00 10.40 H new ATOM 0 HB ILE A 42 -22.492 -9.693 0.994 1.00 9.97 H new ATOM 0 HG12 ILE A 42 -19.803 -11.066 1.349 1.00 9.82 H new ATOM 0 HG13 ILE A 42 -21.039 -10.908 2.581 1.00 9.82 H new ATOM 0 HG21 ILE A 42 -21.687 -10.758 -1.078 1.00 10.25 H new ATOM 0 HG22 ILE A 42 -21.658 -8.982 -1.186 1.00 10.25 H new ATOM 0 HG23 ILE A 42 -20.146 -9.881 -0.921 1.00 10.25 H new ATOM 0 HD11 ILE A 42 -21.085 -13.139 1.574 1.00 10.06 H new ATOM 0 HD12 ILE A 42 -22.592 -12.262 1.216 1.00 10.06 H new ATOM 0 HD13 ILE A 42 -21.336 -12.422 -0.036 1.00 10.06 H new ATOM 53 N ASP A 43 -18.626 -8.242 0.247 1.00 10.68 N ATOM 54 CA ASP A 43 -17.183 -8.353 0.113 1.00 11.02 C ATOM 55 C ASP A 43 -16.507 -7.022 0.407 1.00 11.08 C ATOM 56 O ASP A 43 -16.759 -6.016 -0.255 1.00 11.69 O ATOM 57 CB ASP A 43 -16.792 -8.866 -1.282 1.00 11.24 C ATOM 58 CG ASP A 43 -17.228 -7.952 -2.414 1.00 11.95 C ATOM 59 OD1 ASP A 43 -18.398 -8.043 -2.840 1.00 12.25 O ATOM 60 OD2 ASP A 43 -16.402 -7.144 -2.888 1.00 12.35 O ATOM 0 H ASP A 43 -19.102 -7.868 -0.574 1.00 10.68 H new ATOM 0 HA ASP A 43 -16.836 -9.081 0.847 1.00 11.02 H new ATOM 0 HB2 ASP A 43 -15.710 -8.990 -1.323 1.00 11.24 H new ATOM 0 HB3 ASP A 43 -17.232 -9.852 -1.433 1.00 11.24 H new ATOM 65 N GLY A 44 -15.681 -7.012 1.443 1.00 10.65 N ATOM 66 CA GLY A 44 -14.878 -5.847 1.742 1.00 10.86 C ATOM 67 C GLY A 44 -15.475 -4.947 2.807 1.00 10.53 C ATOM 68 O GLY A 44 -14.750 -4.216 3.476 1.00 10.64 O ATOM 0 H GLY A 44 -15.553 -7.795 2.084 1.00 10.65 H new ATOM 0 HA2 GLY A 44 -13.890 -6.172 2.067 1.00 10.86 H new ATOM 0 HA3 GLY A 44 -14.739 -5.269 0.828 1.00 10.86 H new ATOM 72 N ASP A 45 -16.784 -4.999 2.987 1.00 10.35 N ATOM 73 CA ASP A 45 -17.428 -4.109 3.947 1.00 10.29 C ATOM 74 C ASP A 45 -17.821 -4.850 5.218 1.00 9.54 C ATOM 75 O ASP A 45 -17.191 -4.682 6.259 1.00 9.39 O ATOM 76 CB ASP A 45 -18.652 -3.429 3.328 1.00 10.94 C ATOM 77 CG ASP A 45 -19.309 -2.432 4.267 1.00 11.21 C ATOM 78 OD1 ASP A 45 -18.616 -1.506 4.740 1.00 11.45 O ATOM 79 OD2 ASP A 45 -20.525 -2.562 4.531 1.00 11.37 O ATOM 0 H ASP A 45 -17.413 -5.633 2.494 1.00 10.35 H new ATOM 0 HA ASP A 45 -16.703 -3.341 4.215 1.00 10.29 H new ATOM 0 HB2 ASP A 45 -18.354 -2.917 2.413 1.00 10.94 H new ATOM 0 HB3 ASP A 45 -19.380 -4.189 3.045 1.00 10.94 H new ATOM 84 N GLN A 46 -18.849 -5.681 5.131 1.00 9.30 N ATOM 85 CA GLN A 46 -19.375 -6.350 6.309 1.00 8.82 C ATOM 86 C GLN A 46 -18.741 -7.722 6.521 1.00 7.96 C ATOM 87 O GLN A 46 -18.103 -7.964 7.550 1.00 7.83 O ATOM 88 CB GLN A 46 -20.888 -6.477 6.189 1.00 9.37 C ATOM 89 CG GLN A 46 -21.591 -5.142 6.130 1.00 9.97 C ATOM 90 CD GLN A 46 -21.390 -4.317 7.387 1.00 10.63 C ATOM 91 OE1 GLN A 46 -21.291 -4.856 8.488 1.00 11.07 O ATOM 92 NE2 GLN A 46 -21.293 -3.009 7.225 1.00 10.92 N ATOM 0 H GLN A 46 -19.332 -5.907 4.262 1.00 9.30 H new ATOM 0 HA GLN A 46 -19.124 -5.744 7.180 1.00 8.82 H new ATOM 0 HB2 GLN A 46 -21.129 -7.048 5.292 1.00 9.37 H new ATOM 0 HB3 GLN A 46 -21.268 -7.044 7.039 1.00 9.37 H new ATOM 0 HG2 GLN A 46 -21.225 -4.581 5.270 1.00 9.97 H new ATOM 0 HG3 GLN A 46 -22.657 -5.304 5.974 1.00 9.97 H new ATOM 0 HE21 GLN A 46 -21.381 -2.603 6.294 1.00 10.92 H new ATOM 0 HE22 GLN A 46 -21.130 -2.406 8.031 1.00 10.92 H new ATOM 101 N ALA A 47 -18.899 -8.613 5.550 1.00 7.63 N ATOM 102 CA ALA A 47 -18.444 -9.993 5.698 1.00 7.10 C ATOM 103 C ALA A 47 -16.959 -10.151 5.382 1.00 6.23 C ATOM 104 O ALA A 47 -16.563 -11.060 4.651 1.00 6.37 O ATOM 105 CB ALA A 47 -19.273 -10.922 4.825 1.00 7.70 C ATOM 0 H ALA A 47 -19.338 -8.407 4.653 1.00 7.63 H new ATOM 0 HA ALA A 47 -18.582 -10.266 6.744 1.00 7.10 H new ATOM 0 HB1 ALA A 47 -18.921 -11.946 4.947 1.00 7.70 H new ATOM 0 HB2 ALA A 47 -20.320 -10.861 5.120 1.00 7.70 H new ATOM 0 HB3 ALA A 47 -19.173 -10.626 3.781 1.00 7.70 H new ATOM 111 N GLY A 48 -16.145 -9.257 5.925 1.00 5.65 N ATOM 112 CA GLY A 48 -14.712 -9.410 5.839 1.00 5.11 C ATOM 113 C GLY A 48 -14.129 -9.008 4.500 1.00 4.06 C ATOM 114 O GLY A 48 -14.843 -8.882 3.499 1.00 4.07 O ATOM 0 H GLY A 48 -16.456 -8.425 6.426 1.00 5.65 H new ATOM 0 HA2 GLY A 48 -14.245 -8.811 6.621 1.00 5.11 H new ATOM 0 HA3 GLY A 48 -14.455 -10.451 6.038 1.00 5.11 H new ATOM 118 N GLN A 49 -12.824 -8.794 4.501 1.00 3.63 N ATOM 119 CA GLN A 49 -12.077 -8.495 3.291 1.00 2.96 C ATOM 120 C GLN A 49 -11.123 -9.644 2.997 1.00 2.13 C ATOM 121 O GLN A 49 -10.409 -10.102 3.891 1.00 2.55 O ATOM 122 CB GLN A 49 -11.262 -7.204 3.432 1.00 3.66 C ATOM 123 CG GLN A 49 -12.051 -5.978 3.847 1.00 4.66 C ATOM 124 CD GLN A 49 -12.364 -5.937 5.333 1.00 5.45 C ATOM 125 OE1 GLN A 49 -11.623 -6.477 6.153 1.00 5.88 O ATOM 126 NE2 GLN A 49 -13.456 -5.278 5.688 1.00 6.04 N ATOM 0 H GLN A 49 -12.251 -8.823 5.344 1.00 3.63 H new ATOM 0 HA GLN A 49 -12.792 -8.363 2.479 1.00 2.96 H new ATOM 0 HB2 GLN A 49 -10.472 -7.371 4.164 1.00 3.66 H new ATOM 0 HB3 GLN A 49 -10.775 -6.996 2.479 1.00 3.66 H new ATOM 0 HG2 GLN A 49 -11.488 -5.084 3.577 1.00 4.66 H new ATOM 0 HG3 GLN A 49 -12.985 -5.949 3.286 1.00 4.66 H new ATOM 0 HE21 GLN A 49 -14.044 -4.844 4.976 1.00 6.04 H new ATOM 0 HE22 GLN A 49 -13.709 -5.204 6.673 1.00 6.04 H new ATOM 135 N LYS A 50 -11.096 -10.098 1.756 1.00 1.67 N ATOM 136 CA LYS A 50 -10.280 -11.251 1.382 1.00 1.23 C ATOM 137 C LYS A 50 -9.355 -10.916 0.234 1.00 1.14 C ATOM 138 O LYS A 50 -9.224 -11.672 -0.733 1.00 1.86 O ATOM 139 CB LYS A 50 -11.165 -12.433 1.026 1.00 1.57 C ATOM 140 CG LYS A 50 -11.945 -12.944 2.210 1.00 1.90 C ATOM 141 CD LYS A 50 -13.000 -13.959 1.801 1.00 2.73 C ATOM 142 CE LYS A 50 -13.617 -14.640 3.014 1.00 3.21 C ATOM 143 NZ LYS A 50 -12.614 -15.440 3.770 1.00 4.04 N ATOM 0 H LYS A 50 -11.628 -9.689 0.987 1.00 1.67 H new ATOM 0 HA LYS A 50 -9.664 -11.521 2.240 1.00 1.23 H new ATOM 0 HB2 LYS A 50 -11.858 -12.140 0.237 1.00 1.57 H new ATOM 0 HB3 LYS A 50 -10.548 -13.238 0.626 1.00 1.57 H new ATOM 0 HG2 LYS A 50 -11.261 -13.400 2.925 1.00 1.90 H new ATOM 0 HG3 LYS A 50 -12.425 -12.107 2.717 1.00 1.90 H new ATOM 0 HD2 LYS A 50 -13.781 -13.462 1.225 1.00 2.73 H new ATOM 0 HD3 LYS A 50 -12.552 -14.709 1.150 1.00 2.73 H new ATOM 0 HE2 LYS A 50 -14.051 -13.887 3.672 1.00 3.21 H new ATOM 0 HE3 LYS A 50 -14.431 -15.289 2.691 1.00 3.21 H new ATOM 0 HZ1 LYS A 50 -13.104 -16.141 4.362 1.00 4.04 H new ATOM 0 HZ2 LYS A 50 -11.986 -15.930 3.102 1.00 4.04 H new ATOM 0 HZ3 LYS A 50 -12.051 -14.809 4.375 1.00 4.04 H new ATOM 157 N ALA A 51 -8.733 -9.765 0.372 1.00 0.80 N ATOM 158 CA ALA A 51 -7.718 -9.284 -0.562 1.00 0.75 C ATOM 159 C ALA A 51 -8.310 -9.002 -1.940 1.00 0.83 C ATOM 160 O ALA A 51 -8.435 -9.899 -2.775 1.00 1.01 O ATOM 161 CB ALA A 51 -6.562 -10.271 -0.654 1.00 0.84 C ATOM 0 H ALA A 51 -8.915 -9.123 1.144 1.00 0.80 H new ATOM 0 HA ALA A 51 -7.333 -8.340 -0.176 1.00 0.75 H new ATOM 0 HB1 ALA A 51 -5.817 -9.894 -1.355 1.00 0.84 H new ATOM 0 HB2 ALA A 51 -6.107 -10.391 0.329 1.00 0.84 H new ATOM 0 HB3 ALA A 51 -6.933 -11.235 -1.003 1.00 0.84 H new ATOM 167 N GLU A 52 -8.683 -7.745 -2.154 1.00 0.75 N ATOM 168 CA GLU A 52 -9.277 -7.298 -3.412 1.00 0.86 C ATOM 169 C GLU A 52 -8.402 -7.655 -4.612 1.00 0.97 C ATOM 170 O GLU A 52 -7.287 -7.148 -4.751 1.00 1.04 O ATOM 171 CB GLU A 52 -9.495 -5.784 -3.394 1.00 0.83 C ATOM 172 CG GLU A 52 -10.126 -5.266 -2.117 1.00 0.91 C ATOM 173 CD GLU A 52 -11.363 -6.053 -1.713 1.00 1.63 C ATOM 174 OE1 GLU A 52 -12.466 -5.728 -2.193 1.00 2.04 O ATOM 175 OE2 GLU A 52 -11.236 -7.010 -0.916 1.00 1.98 O ATOM 0 H GLU A 52 -8.582 -7.005 -1.460 1.00 0.75 H new ATOM 0 HA GLU A 52 -10.233 -7.812 -3.511 1.00 0.86 H new ATOM 0 HB2 GLU A 52 -8.536 -5.288 -3.540 1.00 0.83 H new ATOM 0 HB3 GLU A 52 -10.128 -5.509 -4.237 1.00 0.83 H new ATOM 0 HG2 GLU A 52 -9.393 -5.309 -1.311 1.00 0.91 H new ATOM 0 HG3 GLU A 52 -10.394 -4.218 -2.248 1.00 0.91 H new ATOM 182 N ASN A 53 -8.912 -8.518 -5.475 1.00 1.07 N ATOM 183 CA ASN A 53 -8.216 -8.876 -6.706 1.00 1.20 C ATOM 184 C ASN A 53 -8.661 -7.961 -7.834 1.00 1.20 C ATOM 185 O ASN A 53 -8.039 -7.909 -8.896 1.00 1.34 O ATOM 186 CB ASN A 53 -8.474 -10.334 -7.084 1.00 1.31 C ATOM 187 CG ASN A 53 -7.799 -11.313 -6.144 1.00 1.88 C ATOM 188 OD1 ASN A 53 -8.361 -11.700 -5.121 1.00 2.59 O ATOM 189 ND2 ASN A 53 -6.596 -11.740 -6.495 1.00 2.43 N ATOM 0 H ASN A 53 -9.809 -8.987 -5.348 1.00 1.07 H new ATOM 0 HA ASN A 53 -7.146 -8.755 -6.540 1.00 1.20 H new ATOM 0 HB2 ASN A 53 -9.548 -10.520 -7.085 1.00 1.31 H new ATOM 0 HB3 ASN A 53 -8.120 -10.509 -8.100 1.00 1.31 H new ATOM 0 HD21 ASN A 53 -6.103 -12.414 -5.909 1.00 2.43 H new ATOM 0 HD22 ASN A 53 -6.162 -11.396 -7.352 1.00 2.43 H new ATOM 196 N LEU A 54 -9.757 -7.254 -7.598 1.00 1.12 N ATOM 197 CA LEU A 54 -10.270 -6.285 -8.539 1.00 1.15 C ATOM 198 C LEU A 54 -9.343 -5.073 -8.622 1.00 1.13 C ATOM 199 O LEU A 54 -8.508 -4.860 -7.740 1.00 1.13 O ATOM 200 CB LEU A 54 -11.649 -5.857 -8.067 1.00 1.18 C ATOM 201 CG LEU A 54 -12.627 -5.481 -9.160 1.00 1.18 C ATOM 202 CD1 LEU A 54 -12.894 -6.668 -10.068 1.00 1.28 C ATOM 203 CD2 LEU A 54 -13.906 -4.991 -8.529 1.00 1.81 C ATOM 0 H LEU A 54 -10.312 -7.341 -6.746 1.00 1.12 H new ATOM 0 HA LEU A 54 -10.329 -6.728 -9.533 1.00 1.15 H new ATOM 0 HB2 LEU A 54 -12.081 -6.668 -7.481 1.00 1.18 H new ATOM 0 HB3 LEU A 54 -11.536 -5.005 -7.397 1.00 1.18 H new ATOM 0 HG LEU A 54 -12.201 -4.686 -9.771 1.00 1.18 H new ATOM 0 HD11 LEU A 54 -13.599 -6.379 -10.847 1.00 1.28 H new ATOM 0 HD12 LEU A 54 -11.960 -6.993 -10.526 1.00 1.28 H new ATOM 0 HD13 LEU A 54 -13.315 -7.486 -9.483 1.00 1.28 H new ATOM 0 HD21 LEU A 54 -14.616 -4.718 -9.310 1.00 1.81 H new ATOM 0 HD22 LEU A 54 -14.333 -5.781 -7.911 1.00 1.81 H new ATOM 0 HD23 LEU A 54 -13.695 -4.119 -7.909 1.00 1.81 H new ATOM 215 N THR A 55 -9.485 -4.288 -9.681 1.00 1.16 N ATOM 216 CA THR A 55 -8.675 -3.092 -9.853 1.00 1.21 C ATOM 217 C THR A 55 -9.054 -2.047 -8.807 1.00 1.14 C ATOM 218 O THR A 55 -10.216 -1.945 -8.412 1.00 1.09 O ATOM 219 CB THR A 55 -8.851 -2.496 -11.263 1.00 1.31 C ATOM 220 OG1 THR A 55 -10.194 -2.033 -11.443 1.00 1.30 O ATOM 221 CG2 THR A 55 -8.532 -3.529 -12.331 1.00 1.40 C ATOM 0 H THR A 55 -10.153 -4.458 -10.433 1.00 1.16 H new ATOM 0 HA THR A 55 -7.630 -3.375 -9.726 1.00 1.21 H new ATOM 0 HB THR A 55 -8.160 -1.659 -11.361 1.00 1.31 H new ATOM 0 HG1 THR A 55 -10.292 -1.655 -12.342 1.00 1.30 H new ATOM 0 HG21 THR A 55 -8.663 -3.085 -13.318 1.00 1.40 H new ATOM 0 HG22 THR A 55 -7.501 -3.863 -12.218 1.00 1.40 H new ATOM 0 HG23 THR A 55 -9.203 -4.381 -12.225 1.00 1.40 H new ATOM 229 N PRO A 56 -8.063 -1.254 -8.353 1.00 1.18 N ATOM 230 CA PRO A 56 -8.220 -0.301 -7.240 1.00 1.10 C ATOM 231 C PRO A 56 -9.336 0.713 -7.465 1.00 1.05 C ATOM 232 O PRO A 56 -9.829 1.328 -6.517 1.00 0.97 O ATOM 233 CB PRO A 56 -6.863 0.411 -7.167 1.00 1.21 C ATOM 234 CG PRO A 56 -6.190 0.119 -8.463 1.00 1.38 C ATOM 235 CD PRO A 56 -6.699 -1.221 -8.903 1.00 1.34 C ATOM 0 HA PRO A 56 -8.498 -0.819 -6.322 1.00 1.10 H new ATOM 0 HB2 PRO A 56 -6.990 1.484 -7.024 1.00 1.21 H new ATOM 0 HB3 PRO A 56 -6.273 0.045 -6.327 1.00 1.21 H new ATOM 0 HG2 PRO A 56 -6.420 0.885 -9.203 1.00 1.38 H new ATOM 0 HG3 PRO A 56 -5.106 0.105 -8.345 1.00 1.38 H new ATOM 0 HD2 PRO A 56 -6.699 -1.316 -9.989 1.00 1.34 H new ATOM 0 HD3 PRO A 56 -6.087 -2.034 -8.512 1.00 1.34 H new ATOM 243 N ASP A 57 -9.732 0.881 -8.717 1.00 1.13 N ATOM 244 CA ASP A 57 -10.830 1.772 -9.053 1.00 1.14 C ATOM 245 C ASP A 57 -12.146 1.046 -8.851 1.00 1.07 C ATOM 246 O ASP A 57 -13.021 1.521 -8.132 1.00 1.05 O ATOM 247 CB ASP A 57 -10.726 2.272 -10.497 1.00 1.30 C ATOM 248 CG ASP A 57 -9.510 3.146 -10.734 1.00 1.61 C ATOM 249 OD1 ASP A 57 -9.541 4.341 -10.366 1.00 1.67 O ATOM 250 OD2 ASP A 57 -8.521 2.646 -11.309 1.00 2.15 O ATOM 0 H ASP A 57 -9.309 0.411 -9.517 1.00 1.13 H new ATOM 0 HA ASP A 57 -10.780 2.641 -8.397 1.00 1.14 H new ATOM 0 HB2 ASP A 57 -10.688 1.416 -11.171 1.00 1.30 H new ATOM 0 HB3 ASP A 57 -11.626 2.835 -10.747 1.00 1.30 H new ATOM 255 N GLU A 58 -12.259 -0.132 -9.463 1.00 1.09 N ATOM 256 CA GLU A 58 -13.447 -0.952 -9.348 1.00 1.05 C ATOM 257 C GLU A 58 -13.750 -1.246 -7.890 1.00 0.93 C ATOM 258 O GLU A 58 -14.899 -1.169 -7.463 1.00 0.93 O ATOM 259 CB GLU A 58 -13.240 -2.264 -10.089 1.00 1.12 C ATOM 260 CG GLU A 58 -13.253 -2.152 -11.598 1.00 1.26 C ATOM 261 CD GLU A 58 -14.608 -1.768 -12.156 1.00 1.83 C ATOM 262 OE1 GLU A 58 -15.499 -2.645 -12.229 1.00 2.54 O ATOM 263 OE2 GLU A 58 -14.788 -0.595 -12.540 1.00 2.17 O ATOM 0 H GLU A 58 -11.528 -0.537 -10.049 1.00 1.09 H new ATOM 0 HA GLU A 58 -14.285 -0.409 -9.784 1.00 1.05 H new ATOM 0 HB2 GLU A 58 -12.287 -2.693 -9.779 1.00 1.12 H new ATOM 0 HB3 GLU A 58 -14.019 -2.963 -9.784 1.00 1.12 H new ATOM 0 HG2 GLU A 58 -12.516 -1.410 -11.907 1.00 1.26 H new ATOM 0 HG3 GLU A 58 -12.946 -3.105 -12.029 1.00 1.26 H new ATOM 270 N VAL A 59 -12.703 -1.569 -7.138 1.00 0.86 N ATOM 271 CA VAL A 59 -12.833 -1.894 -5.719 1.00 0.75 C ATOM 272 C VAL A 59 -13.623 -0.828 -4.990 1.00 0.71 C ATOM 273 O VAL A 59 -14.715 -1.078 -4.477 1.00 0.71 O ATOM 274 CB VAL A 59 -11.450 -2.008 -5.036 1.00 0.72 C ATOM 275 CG1 VAL A 59 -11.592 -2.221 -3.535 1.00 0.63 C ATOM 276 CG2 VAL A 59 -10.634 -3.127 -5.657 1.00 0.82 C ATOM 0 H VAL A 59 -11.747 -1.613 -7.490 1.00 0.86 H new ATOM 0 HA VAL A 59 -13.351 -2.852 -5.665 1.00 0.75 H new ATOM 0 HB VAL A 59 -10.923 -1.067 -5.194 1.00 0.72 H new ATOM 0 HG11 VAL A 59 -10.603 -2.297 -3.083 1.00 0.63 H new ATOM 0 HG12 VAL A 59 -12.127 -1.378 -3.097 1.00 0.63 H new ATOM 0 HG13 VAL A 59 -12.148 -3.140 -3.349 1.00 0.63 H new ATOM 0 HG21 VAL A 59 -9.665 -3.189 -5.161 1.00 0.82 H new ATOM 0 HG22 VAL A 59 -11.163 -4.072 -5.539 1.00 0.82 H new ATOM 0 HG23 VAL A 59 -10.486 -2.924 -6.718 1.00 0.82 H new ATOM 286 N SER A 60 -13.078 0.369 -4.990 1.00 0.70 N ATOM 287 CA SER A 60 -13.598 1.433 -4.167 1.00 0.70 C ATOM 288 C SER A 60 -14.892 2.010 -4.748 1.00 0.74 C ATOM 289 O SER A 60 -15.810 2.366 -4.010 1.00 0.72 O ATOM 290 CB SER A 60 -12.537 2.508 -4.012 1.00 0.76 C ATOM 291 OG SER A 60 -11.235 1.956 -4.156 1.00 0.97 O ATOM 0 H SER A 60 -12.270 0.628 -5.556 1.00 0.70 H new ATOM 0 HA SER A 60 -13.846 1.031 -3.185 1.00 0.70 H new ATOM 0 HB2 SER A 60 -12.691 3.288 -4.758 1.00 0.76 H new ATOM 0 HB3 SER A 60 -12.631 2.980 -3.034 1.00 0.76 H new ATOM 0 HG SER A 60 -10.970 1.986 -5.099 1.00 0.97 H new ATOM 297 N LYS A 61 -14.979 2.069 -6.071 1.00 0.87 N ATOM 298 CA LYS A 61 -16.162 2.607 -6.729 1.00 0.96 C ATOM 299 C LYS A 61 -17.389 1.733 -6.470 1.00 0.94 C ATOM 300 O LYS A 61 -18.512 2.237 -6.383 1.00 1.01 O ATOM 301 CB LYS A 61 -15.928 2.755 -8.235 1.00 1.10 C ATOM 302 CG LYS A 61 -14.943 3.859 -8.595 1.00 1.17 C ATOM 303 CD LYS A 61 -14.653 3.892 -10.089 1.00 1.36 C ATOM 304 CE LYS A 61 -15.902 4.188 -10.902 1.00 2.01 C ATOM 305 NZ LYS A 61 -15.627 4.191 -12.362 1.00 2.54 N ATOM 0 H LYS A 61 -14.247 1.752 -6.707 1.00 0.87 H new ATOM 0 HA LYS A 61 -16.351 3.593 -6.306 1.00 0.96 H new ATOM 0 HB2 LYS A 61 -15.560 1.809 -8.631 1.00 1.10 H new ATOM 0 HB3 LYS A 61 -16.881 2.957 -8.724 1.00 1.10 H new ATOM 0 HG2 LYS A 61 -15.346 4.822 -8.281 1.00 1.17 H new ATOM 0 HG3 LYS A 61 -14.013 3.709 -8.047 1.00 1.17 H new ATOM 0 HD2 LYS A 61 -13.897 4.650 -10.295 1.00 1.36 H new ATOM 0 HD3 LYS A 61 -14.236 2.934 -10.399 1.00 1.36 H new ATOM 0 HE2 LYS A 61 -16.665 3.443 -10.678 1.00 2.01 H new ATOM 0 HE3 LYS A 61 -16.306 5.157 -10.607 1.00 2.01 H new ATOM 0 HZ1 LYS A 61 -16.505 4.397 -12.880 1.00 2.54 H new ATOM 0 HZ2 LYS A 61 -14.917 4.919 -12.580 1.00 2.54 H new ATOM 0 HZ3 LYS A 61 -15.266 3.259 -12.649 1.00 2.54 H new ATOM 319 N ARG A 62 -17.174 0.428 -6.344 1.00 0.88 N ATOM 320 CA ARG A 62 -18.262 -0.502 -6.082 1.00 0.89 C ATOM 321 C ARG A 62 -18.687 -0.459 -4.618 1.00 0.77 C ATOM 322 O ARG A 62 -19.860 -0.659 -4.299 1.00 0.82 O ATOM 323 CB ARG A 62 -17.862 -1.929 -6.463 1.00 0.93 C ATOM 324 CG ARG A 62 -17.658 -2.134 -7.950 1.00 1.21 C ATOM 325 CD ARG A 62 -17.309 -3.573 -8.263 1.00 1.21 C ATOM 326 NE ARG A 62 -17.022 -3.780 -9.679 1.00 1.85 N ATOM 327 CZ ARG A 62 -17.111 -4.960 -10.290 1.00 2.40 C ATOM 328 NH1 ARG A 62 -17.517 -6.034 -9.623 1.00 2.53 N ATOM 329 NH2 ARG A 62 -16.789 -5.062 -11.571 1.00 3.33 N ATOM 0 H ARG A 62 -16.255 -0.008 -6.419 1.00 0.88 H new ATOM 0 HA ARG A 62 -19.108 -0.195 -6.697 1.00 0.89 H new ATOM 0 HB2 ARG A 62 -16.941 -2.189 -5.941 1.00 0.93 H new ATOM 0 HB3 ARG A 62 -18.632 -2.617 -6.114 1.00 0.93 H new ATOM 0 HG2 ARG A 62 -18.564 -1.852 -8.486 1.00 1.21 H new ATOM 0 HG3 ARG A 62 -16.862 -1.479 -8.304 1.00 1.21 H new ATOM 0 HD2 ARG A 62 -16.443 -3.871 -7.672 1.00 1.21 H new ATOM 0 HD3 ARG A 62 -18.136 -4.218 -7.964 1.00 1.21 H new ATOM 0 HE ARG A 62 -16.736 -2.973 -10.234 1.00 1.85 H new ATOM 0 HH11 ARG A 62 -17.763 -5.959 -8.636 1.00 2.53 H new ATOM 0 HH12 ARG A 62 -17.583 -6.934 -10.098 1.00 2.53 H new ATOM 0 HH21 ARG A 62 -16.475 -4.239 -12.085 1.00 3.33 H new ATOM 0 HH22 ARG A 62 -16.855 -5.964 -12.043 1.00 3.33 H new ATOM 343 N GLU A 63 -17.734 -0.195 -3.733 1.00 0.68 N ATOM 344 CA GLU A 63 -18.014 -0.182 -2.303 1.00 0.63 C ATOM 345 C GLU A 63 -18.534 1.175 -1.844 1.00 0.66 C ATOM 346 O GLU A 63 -19.225 1.272 -0.830 1.00 0.73 O ATOM 347 CB GLU A 63 -16.772 -0.578 -1.508 1.00 0.59 C ATOM 348 CG GLU A 63 -15.538 0.259 -1.799 1.00 0.58 C ATOM 349 CD GLU A 63 -14.351 -0.194 -0.988 1.00 0.65 C ATOM 350 OE1 GLU A 63 -14.278 0.207 0.189 1.00 1.25 O ATOM 351 OE2 GLU A 63 -13.537 -0.963 -1.484 1.00 1.21 O ATOM 0 H GLU A 63 -16.766 0.012 -3.978 1.00 0.68 H new ATOM 0 HA GLU A 63 -18.798 -0.916 -2.115 1.00 0.63 H new ATOM 0 HB2 GLU A 63 -17.000 -0.507 -0.445 1.00 0.59 H new ATOM 0 HB3 GLU A 63 -16.543 -1.623 -1.715 1.00 0.59 H new ATOM 0 HG2 GLU A 63 -15.298 0.196 -2.860 1.00 0.58 H new ATOM 0 HG3 GLU A 63 -15.749 1.306 -1.581 1.00 0.58 H new ATOM 358 N GLY A 64 -18.192 2.220 -2.579 1.00 0.69 N ATOM 359 CA GLY A 64 -18.739 3.529 -2.288 1.00 0.74 C ATOM 360 C GLY A 64 -17.678 4.591 -2.107 1.00 0.72 C ATOM 361 O GLY A 64 -17.719 5.632 -2.766 1.00 0.86 O ATOM 0 H GLY A 64 -17.548 2.187 -3.369 1.00 0.69 H new ATOM 0 HA2 GLY A 64 -19.406 3.825 -3.098 1.00 0.74 H new ATOM 0 HA3 GLY A 64 -19.343 3.470 -1.383 1.00 0.74 H new ATOM 365 N ILE A 65 -16.730 4.341 -1.213 1.00 0.62 N ATOM 366 CA ILE A 65 -15.682 5.315 -0.937 1.00 0.67 C ATOM 367 C ILE A 65 -14.710 5.407 -2.102 1.00 0.81 C ATOM 368 O ILE A 65 -14.260 4.396 -2.625 1.00 1.76 O ATOM 369 CB ILE A 65 -14.905 4.998 0.360 1.00 0.61 C ATOM 370 CG1 ILE A 65 -14.292 3.597 0.321 1.00 0.53 C ATOM 371 CG2 ILE A 65 -15.813 5.140 1.567 1.00 0.89 C ATOM 372 CD1 ILE A 65 -13.490 3.260 1.559 1.00 0.49 C ATOM 0 H ILE A 65 -16.665 3.480 -0.671 1.00 0.62 H new ATOM 0 HA ILE A 65 -16.181 6.274 -0.800 1.00 0.67 H new ATOM 0 HB ILE A 65 -14.089 5.716 0.441 1.00 0.61 H new ATOM 0 HG12 ILE A 65 -15.089 2.863 0.202 1.00 0.53 H new ATOM 0 HG13 ILE A 65 -13.648 3.514 -0.554 1.00 0.53 H new ATOM 0 HG21 ILE A 65 -15.251 4.913 2.473 1.00 0.89 H new ATOM 0 HG22 ILE A 65 -16.191 6.161 1.620 1.00 0.89 H new ATOM 0 HG23 ILE A 65 -16.650 4.448 1.476 1.00 0.89 H new ATOM 0 HD11 ILE A 65 -13.083 2.253 1.466 1.00 0.49 H new ATOM 0 HD12 ILE A 65 -12.673 3.973 1.668 1.00 0.49 H new ATOM 0 HD13 ILE A 65 -14.136 3.311 2.436 1.00 0.49 H new ATOM 384 N ASN A 66 -14.394 6.624 -2.507 1.00 0.75 N ATOM 385 CA ASN A 66 -13.501 6.841 -3.638 1.00 0.69 C ATOM 386 C ASN A 66 -12.150 7.339 -3.136 1.00 0.61 C ATOM 387 O ASN A 66 -11.315 7.825 -3.902 1.00 0.64 O ATOM 388 CB ASN A 66 -14.115 7.849 -4.613 1.00 0.83 C ATOM 389 CG ASN A 66 -13.426 7.857 -5.966 1.00 1.38 C ATOM 390 OD1 ASN A 66 -12.911 6.834 -6.422 1.00 2.09 O ATOM 391 ND2 ASN A 66 -13.414 9.009 -6.619 1.00 2.10 N ATOM 0 H ASN A 66 -14.741 7.479 -2.072 1.00 0.75 H new ATOM 0 HA ASN A 66 -13.357 5.898 -4.166 1.00 0.69 H new ATOM 0 HB2 ASN A 66 -15.171 7.617 -4.750 1.00 0.83 H new ATOM 0 HB3 ASN A 66 -14.062 8.847 -4.178 1.00 0.83 H new ATOM 0 HD21 ASN A 66 -12.967 9.072 -7.534 1.00 2.10 H new ATOM 0 HD22 ASN A 66 -13.852 9.833 -6.207 1.00 2.10 H new ATOM 398 N ALA A 67 -11.950 7.212 -1.830 1.00 0.54 N ATOM 399 CA ALA A 67 -10.729 7.682 -1.188 1.00 0.49 C ATOM 400 C ALA A 67 -9.512 6.867 -1.618 1.00 0.44 C ATOM 401 O ALA A 67 -9.638 5.731 -2.082 1.00 0.45 O ATOM 402 CB ALA A 67 -10.891 7.630 0.318 1.00 0.47 C ATOM 0 H ALA A 67 -12.622 6.785 -1.192 1.00 0.54 H new ATOM 0 HA ALA A 67 -10.559 8.712 -1.502 1.00 0.49 H new ATOM 0 HB1 ALA A 67 -9.976 7.982 0.795 1.00 0.47 H new ATOM 0 HB2 ALA A 67 -11.724 8.267 0.617 1.00 0.47 H new ATOM 0 HB3 ALA A 67 -11.090 6.604 0.627 1.00 0.47 H new ATOM 408 N GLU A 68 -8.334 7.460 -1.447 1.00 0.44 N ATOM 409 CA GLU A 68 -7.082 6.832 -1.850 1.00 0.42 C ATOM 410 C GLU A 68 -6.792 5.612 -0.994 1.00 0.34 C ATOM 411 O GLU A 68 -7.018 5.628 0.216 1.00 0.35 O ATOM 412 CB GLU A 68 -5.917 7.808 -1.719 1.00 0.50 C ATOM 413 CG GLU A 68 -6.216 9.196 -2.244 1.00 0.78 C ATOM 414 CD GLU A 68 -6.738 10.122 -1.164 1.00 1.79 C ATOM 415 OE1 GLU A 68 -7.958 10.101 -0.899 1.00 2.59 O ATOM 416 OE2 GLU A 68 -5.939 10.886 -0.588 1.00 2.28 O ATOM 0 H GLU A 68 -8.222 8.383 -1.028 1.00 0.44 H new ATOM 0 HA GLU A 68 -7.190 6.531 -2.892 1.00 0.42 H new ATOM 0 HB2 GLU A 68 -5.634 7.881 -0.669 1.00 0.50 H new ATOM 0 HB3 GLU A 68 -5.057 7.405 -2.254 1.00 0.50 H new ATOM 0 HG2 GLU A 68 -5.310 9.621 -2.676 1.00 0.78 H new ATOM 0 HG3 GLU A 68 -6.951 9.128 -3.046 1.00 0.78 H new ATOM 423 N GLN A 69 -6.266 4.576 -1.622 1.00 0.31 N ATOM 424 CA GLN A 69 -5.980 3.326 -0.933 1.00 0.24 C ATOM 425 C GLN A 69 -4.598 3.378 -0.300 1.00 0.21 C ATOM 426 O GLN A 69 -3.587 3.224 -0.982 1.00 0.27 O ATOM 427 CB GLN A 69 -6.092 2.137 -1.894 1.00 0.29 C ATOM 428 CG GLN A 69 -7.469 2.007 -2.529 1.00 0.43 C ATOM 429 CD GLN A 69 -7.628 0.747 -3.361 1.00 0.80 C ATOM 430 OE1 GLN A 69 -6.663 0.226 -3.921 1.00 1.64 O ATOM 431 NE2 GLN A 69 -8.856 0.258 -3.459 1.00 0.76 N ATOM 0 H GLN A 69 -6.026 4.574 -2.613 1.00 0.31 H new ATOM 0 HA GLN A 69 -6.718 3.191 -0.143 1.00 0.24 H new ATOM 0 HB2 GLN A 69 -5.345 2.242 -2.681 1.00 0.29 H new ATOM 0 HB3 GLN A 69 -5.860 1.219 -1.354 1.00 0.29 H new ATOM 0 HG2 GLN A 69 -8.226 2.014 -1.745 1.00 0.43 H new ATOM 0 HG3 GLN A 69 -7.655 2.877 -3.159 1.00 0.43 H new ATOM 0 HE21 GLN A 69 -9.629 0.720 -2.979 1.00 0.76 H new ATOM 0 HE22 GLN A 69 -9.028 -0.580 -4.014 1.00 0.76 H new ATOM 440 N ILE A 70 -4.566 3.616 1.004 1.00 0.19 N ATOM 441 CA ILE A 70 -3.312 3.753 1.728 1.00 0.17 C ATOM 442 C ILE A 70 -2.869 2.412 2.305 1.00 0.14 C ATOM 443 O ILE A 70 -3.349 1.989 3.353 1.00 0.14 O ATOM 444 CB ILE A 70 -3.439 4.781 2.870 1.00 0.21 C ATOM 445 CG1 ILE A 70 -4.008 6.096 2.331 1.00 0.27 C ATOM 446 CG2 ILE A 70 -2.087 5.013 3.534 1.00 0.21 C ATOM 447 CD1 ILE A 70 -4.250 7.138 3.398 1.00 0.36 C ATOM 0 H ILE A 70 -5.399 3.718 1.584 1.00 0.19 H new ATOM 0 HA ILE A 70 -2.564 4.104 1.017 1.00 0.17 H new ATOM 0 HB ILE A 70 -4.123 4.387 3.622 1.00 0.21 H new ATOM 0 HG12 ILE A 70 -3.320 6.502 1.589 1.00 0.27 H new ATOM 0 HG13 ILE A 70 -4.947 5.891 1.817 1.00 0.27 H new ATOM 0 HG21 ILE A 70 -2.196 5.741 4.337 1.00 0.21 H new ATOM 0 HG22 ILE A 70 -1.717 4.073 3.944 1.00 0.21 H new ATOM 0 HG23 ILE A 70 -1.379 5.390 2.796 1.00 0.21 H new ATOM 0 HD11 ILE A 70 -4.653 8.041 2.940 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -4.962 6.753 4.128 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -3.310 7.373 3.897 1.00 0.36 H new ATOM 459 N VAL A 71 -1.959 1.747 1.614 1.00 0.15 N ATOM 460 CA VAL A 71 -1.450 0.455 2.058 1.00 0.15 C ATOM 461 C VAL A 71 -0.682 0.615 3.374 1.00 0.14 C ATOM 462 O VAL A 71 0.347 1.291 3.426 1.00 0.17 O ATOM 463 CB VAL A 71 -0.531 -0.186 0.992 1.00 0.18 C ATOM 464 CG1 VAL A 71 -0.053 -1.559 1.433 1.00 0.19 C ATOM 465 CG2 VAL A 71 -1.232 -0.279 -0.356 1.00 0.20 C ATOM 0 H VAL A 71 -1.554 2.080 0.739 1.00 0.15 H new ATOM 0 HA VAL A 71 -2.304 -0.204 2.212 1.00 0.15 H new ATOM 0 HB VAL A 71 0.339 0.461 0.881 1.00 0.18 H new ATOM 0 HG11 VAL A 71 0.591 -1.985 0.663 1.00 0.19 H new ATOM 0 HG12 VAL A 71 0.506 -1.468 2.364 1.00 0.19 H new ATOM 0 HG13 VAL A 71 -0.913 -2.211 1.588 1.00 0.19 H new ATOM 0 HG21 VAL A 71 -0.561 -0.734 -1.085 1.00 0.20 H new ATOM 0 HG22 VAL A 71 -2.129 -0.890 -0.258 1.00 0.20 H new ATOM 0 HG23 VAL A 71 -1.509 0.720 -0.692 1.00 0.20 H new ATOM 475 N ILE A 72 -1.207 0.018 4.438 1.00 0.14 N ATOM 476 CA ILE A 72 -0.599 0.120 5.760 1.00 0.17 C ATOM 477 C ILE A 72 0.186 -1.138 6.108 1.00 0.22 C ATOM 478 O ILE A 72 1.118 -1.100 6.911 1.00 0.29 O ATOM 479 CB ILE A 72 -1.662 0.360 6.847 1.00 0.18 C ATOM 480 CG1 ILE A 72 -2.772 -0.689 6.734 1.00 0.19 C ATOM 481 CG2 ILE A 72 -2.226 1.769 6.729 1.00 0.19 C ATOM 482 CD1 ILE A 72 -3.750 -0.672 7.883 1.00 0.21 C ATOM 0 H ILE A 72 -2.057 -0.545 4.410 1.00 0.14 H new ATOM 0 HA ILE A 72 0.082 0.971 5.727 1.00 0.17 H new ATOM 0 HB ILE A 72 -1.199 0.263 7.829 1.00 0.18 H new ATOM 0 HG12 ILE A 72 -3.317 -0.528 5.804 1.00 0.19 H new ATOM 0 HG13 ILE A 72 -2.318 -1.678 6.671 1.00 0.19 H new ATOM 0 HG21 ILE A 72 -2.977 1.926 7.503 1.00 0.19 H new ATOM 0 HG22 ILE A 72 -1.422 2.494 6.851 1.00 0.19 H new ATOM 0 HG23 ILE A 72 -2.684 1.897 5.748 1.00 0.19 H new ATOM 0 HD11 ILE A 72 -4.505 -1.443 7.730 1.00 0.21 H new ATOM 0 HD12 ILE A 72 -3.219 -0.864 8.815 1.00 0.21 H new ATOM 0 HD13 ILE A 72 -4.233 0.304 7.935 1.00 0.21 H new ATOM 494 N LYS A 73 -0.200 -2.251 5.503 1.00 0.21 N ATOM 495 CA LYS A 73 0.491 -3.514 5.709 1.00 0.26 C ATOM 496 C LYS A 73 0.820 -4.152 4.372 1.00 0.24 C ATOM 497 O LYS A 73 0.014 -4.100 3.446 1.00 0.25 O ATOM 498 CB LYS A 73 -0.361 -4.480 6.526 1.00 0.35 C ATOM 499 CG LYS A 73 0.309 -5.830 6.735 1.00 0.41 C ATOM 500 CD LYS A 73 -0.606 -6.831 7.412 1.00 0.59 C ATOM 501 CE LYS A 73 -0.909 -6.442 8.848 1.00 1.22 C ATOM 502 NZ LYS A 73 -1.885 -7.371 9.477 1.00 1.94 N ATOM 0 H LYS A 73 -0.992 -2.305 4.862 1.00 0.21 H new ATOM 0 HA LYS A 73 1.410 -3.306 6.257 1.00 0.26 H new ATOM 0 HB2 LYS A 73 -0.578 -4.034 7.497 1.00 0.35 H new ATOM 0 HB3 LYS A 73 -1.316 -4.628 6.023 1.00 0.35 H new ATOM 0 HG2 LYS A 73 0.628 -6.227 5.771 1.00 0.41 H new ATOM 0 HG3 LYS A 73 1.207 -5.697 7.338 1.00 0.41 H new ATOM 0 HD2 LYS A 73 -1.538 -6.907 6.852 1.00 0.59 H new ATOM 0 HD3 LYS A 73 -0.142 -7.817 7.393 1.00 0.59 H new ATOM 0 HE2 LYS A 73 0.015 -6.439 9.426 1.00 1.22 H new ATOM 0 HE3 LYS A 73 -1.305 -5.427 8.874 1.00 1.22 H new ATOM 0 HZ1 LYS A 73 -2.066 -7.073 10.457 1.00 1.94 H new ATOM 0 HZ2 LYS A 73 -2.775 -7.355 8.940 1.00 1.94 H new ATOM 0 HZ3 LYS A 73 -1.497 -8.336 9.475 1.00 1.94 H new ATOM 516 N ILE A 74 1.990 -4.760 4.271 1.00 0.28 N ATOM 517 CA ILE A 74 2.383 -5.434 3.042 1.00 0.31 C ATOM 518 C ILE A 74 2.759 -6.887 3.308 1.00 0.38 C ATOM 519 O ILE A 74 3.644 -7.164 4.115 1.00 0.41 O ATOM 520 CB ILE A 74 3.608 -4.792 2.367 1.00 0.35 C ATOM 521 CG1 ILE A 74 3.628 -3.274 2.484 1.00 0.38 C ATOM 522 CG2 ILE A 74 3.627 -5.184 0.908 1.00 0.40 C ATOM 523 CD1 ILE A 74 4.933 -2.673 2.006 1.00 0.44 C ATOM 0 H ILE A 74 2.682 -4.802 5.020 1.00 0.28 H new ATOM 0 HA ILE A 74 1.514 -5.352 2.389 1.00 0.31 H new ATOM 0 HB ILE A 74 4.494 -5.160 2.885 1.00 0.35 H new ATOM 0 HG12 ILE A 74 2.805 -2.857 1.903 1.00 0.38 H new ATOM 0 HG13 ILE A 74 3.460 -2.991 3.523 1.00 0.38 H new ATOM 0 HG21 ILE A 74 4.492 -4.733 0.421 1.00 0.40 H new ATOM 0 HG22 ILE A 74 3.687 -6.269 0.824 1.00 0.40 H new ATOM 0 HG23 ILE A 74 2.715 -4.833 0.425 1.00 0.40 H new ATOM 0 HD11 ILE A 74 4.894 -1.589 2.111 1.00 0.44 H new ATOM 0 HD12 ILE A 74 5.755 -3.066 2.604 1.00 0.44 H new ATOM 0 HD13 ILE A 74 5.090 -2.931 0.959 1.00 0.44 H new ATOM 535 N THR A 75 2.093 -7.803 2.626 1.00 0.45 N ATOM 536 CA THR A 75 2.520 -9.193 2.591 1.00 0.54 C ATOM 537 C THR A 75 2.379 -9.723 1.173 1.00 0.60 C ATOM 538 O THR A 75 1.558 -9.230 0.400 1.00 0.71 O ATOM 539 CB THR A 75 1.720 -10.080 3.579 1.00 0.69 C ATOM 540 OG1 THR A 75 0.311 -9.855 3.451 1.00 0.79 O ATOM 541 CG2 THR A 75 2.138 -9.809 5.012 1.00 0.72 C ATOM 0 H THR A 75 1.250 -7.608 2.086 1.00 0.45 H new ATOM 0 HA THR A 75 3.563 -9.233 2.905 1.00 0.54 H new ATOM 0 HB THR A 75 1.939 -11.118 3.330 1.00 0.69 H new ATOM 0 HG1 THR A 75 0.107 -9.570 2.536 1.00 0.79 H new ATOM 0 HG21 THR A 75 1.562 -10.444 5.685 1.00 0.72 H new ATOM 0 HG22 THR A 75 3.200 -10.026 5.128 1.00 0.72 H new ATOM 0 HG23 THR A 75 1.953 -8.762 5.253 1.00 0.72 H new ATOM 549 N ASP A 76 3.198 -10.713 0.828 1.00 0.70 N ATOM 550 CA ASP A 76 3.242 -11.241 -0.538 1.00 0.82 C ATOM 551 C ASP A 76 1.952 -11.973 -0.897 1.00 0.90 C ATOM 552 O ASP A 76 1.731 -12.325 -2.058 1.00 1.08 O ATOM 553 CB ASP A 76 4.438 -12.182 -0.722 1.00 1.00 C ATOM 554 CG ASP A 76 4.237 -13.532 -0.061 1.00 1.46 C ATOM 555 OD1 ASP A 76 4.478 -13.644 1.156 1.00 2.15 O ATOM 556 OD2 ASP A 76 3.847 -14.491 -0.758 1.00 2.01 O ATOM 0 H ASP A 76 3.842 -11.168 1.475 1.00 0.70 H new ATOM 0 HA ASP A 76 3.353 -10.389 -1.209 1.00 0.82 H new ATOM 0 HB2 ASP A 76 4.618 -12.328 -1.787 1.00 1.00 H new ATOM 0 HB3 ASP A 76 5.331 -11.711 -0.310 1.00 1.00 H new ATOM 561 N GLN A 77 1.107 -12.208 0.098 1.00 0.94 N ATOM 562 CA GLN A 77 -0.186 -12.828 -0.125 1.00 1.14 C ATOM 563 C GLN A 77 -1.266 -11.762 -0.305 1.00 1.11 C ATOM 564 O GLN A 77 -2.454 -12.066 -0.421 1.00 1.49 O ATOM 565 CB GLN A 77 -0.528 -13.734 1.048 1.00 1.36 C ATOM 566 CG GLN A 77 -0.725 -15.191 0.659 1.00 1.89 C ATOM 567 CD GLN A 77 -1.756 -15.372 -0.436 1.00 2.52 C ATOM 568 OE1 GLN A 77 -1.431 -15.338 -1.623 1.00 2.98 O ATOM 569 NE2 GLN A 77 -3.003 -15.582 -0.045 1.00 3.19 N ATOM 0 H GLN A 77 1.299 -11.976 1.073 1.00 0.94 H new ATOM 0 HA GLN A 77 -0.140 -13.425 -1.036 1.00 1.14 H new ATOM 0 HB2 GLN A 77 0.268 -13.670 1.789 1.00 1.36 H new ATOM 0 HB3 GLN A 77 -1.437 -13.368 1.525 1.00 1.36 H new ATOM 0 HG2 GLN A 77 0.227 -15.606 0.328 1.00 1.89 H new ATOM 0 HG3 GLN A 77 -1.031 -15.759 1.538 1.00 1.89 H new ATOM 0 HE21 GLN A 77 -3.229 -15.602 0.949 1.00 3.19 H new ATOM 0 HE22 GLN A 77 -3.738 -15.723 -0.738 1.00 3.19 H new ATOM 578 N GLY A 78 -0.833 -10.512 -0.308 1.00 0.78 N ATOM 579 CA GLY A 78 -1.734 -9.389 -0.476 1.00 0.78 C ATOM 580 C GLY A 78 -1.474 -8.336 0.577 1.00 0.72 C ATOM 581 O GLY A 78 -1.034 -8.662 1.673 1.00 0.99 O ATOM 0 H GLY A 78 0.146 -10.250 -0.195 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -1.605 -8.958 -1.469 1.00 0.78 H new ATOM 0 HA3 GLY A 78 -2.767 -9.731 -0.409 1.00 0.78 H new ATOM 585 N TYR A 79 -1.731 -7.079 0.272 1.00 0.43 N ATOM 586 CA TYR A 79 -1.426 -6.017 1.216 1.00 0.36 C ATOM 587 C TYR A 79 -2.701 -5.470 1.825 1.00 0.28 C ATOM 588 O TYR A 79 -3.773 -5.590 1.243 1.00 0.28 O ATOM 589 CB TYR A 79 -0.654 -4.888 0.557 1.00 0.40 C ATOM 590 CG TYR A 79 -0.016 -5.261 -0.746 1.00 1.14 C ATOM 591 CD1 TYR A 79 1.158 -5.993 -0.799 1.00 2.36 C ATOM 592 CD2 TYR A 79 -0.593 -4.857 -1.920 1.00 1.23 C ATOM 593 CE1 TYR A 79 1.741 -6.312 -2.005 1.00 3.09 C ATOM 594 CE2 TYR A 79 -0.023 -5.163 -3.136 1.00 1.86 C ATOM 595 CZ TYR A 79 1.150 -5.894 -3.172 1.00 2.67 C ATOM 596 OH TYR A 79 1.741 -6.196 -4.377 1.00 3.47 O ATOM 0 H TYR A 79 -2.144 -6.769 -0.608 1.00 0.43 H new ATOM 0 HA TYR A 79 -0.802 -6.447 2.000 1.00 0.36 H new ATOM 0 HB2 TYR A 79 -1.330 -4.049 0.391 1.00 0.40 H new ATOM 0 HB3 TYR A 79 0.120 -4.543 1.243 1.00 0.40 H new ATOM 0 HD1 TYR A 79 1.624 -6.319 0.119 1.00 2.36 H new ATOM 0 HD2 TYR A 79 -1.511 -4.289 -1.892 1.00 1.23 H new ATOM 0 HE1 TYR A 79 2.655 -6.886 -2.033 1.00 3.09 H new ATOM 0 HE2 TYR A 79 -0.488 -4.835 -4.054 1.00 1.86 H new ATOM 0 HH TYR A 79 2.232 -7.040 -4.298 1.00 3.47 H new ATOM 606 N VAL A 80 -2.592 -4.872 2.992 1.00 0.29 N ATOM 607 CA VAL A 80 -3.757 -4.328 3.659 1.00 0.27 C ATOM 608 C VAL A 80 -3.762 -2.816 3.529 1.00 0.21 C ATOM 609 O VAL A 80 -2.778 -2.155 3.865 1.00 0.19 O ATOM 610 CB VAL A 80 -3.807 -4.711 5.153 1.00 0.28 C ATOM 611 CG1 VAL A 80 -5.206 -4.508 5.713 1.00 0.28 C ATOM 612 CG2 VAL A 80 -3.338 -6.143 5.363 1.00 0.40 C ATOM 0 H VAL A 80 -1.714 -4.750 3.497 1.00 0.29 H new ATOM 0 HA VAL A 80 -4.636 -4.754 3.176 1.00 0.27 H new ATOM 0 HB VAL A 80 -3.127 -4.054 5.695 1.00 0.28 H new ATOM 0 HG11 VAL A 80 -5.219 -4.784 6.767 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -5.492 -3.461 5.608 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -5.911 -5.133 5.165 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -3.383 -6.389 6.424 1.00 0.40 H new ATOM 0 HG22 VAL A 80 -3.983 -6.822 4.806 1.00 0.40 H new ATOM 0 HG23 VAL A 80 -2.312 -6.245 5.010 1.00 0.40 H new ATOM 622 N THR A 81 -4.861 -2.273 3.042 1.00 0.22 N ATOM 623 CA THR A 81 -4.956 -0.849 2.798 1.00 0.22 C ATOM 624 C THR A 81 -5.907 -0.201 3.796 1.00 0.22 C ATOM 625 O THR A 81 -6.967 -0.738 4.087 1.00 0.35 O ATOM 626 CB THR A 81 -5.447 -0.561 1.358 1.00 0.32 C ATOM 627 OG1 THR A 81 -6.711 -1.195 1.125 1.00 0.36 O ATOM 628 CG2 THR A 81 -4.441 -1.051 0.322 1.00 0.40 C ATOM 0 H THR A 81 -5.703 -2.799 2.807 1.00 0.22 H new ATOM 0 HA THR A 81 -3.959 -0.425 2.919 1.00 0.22 H new ATOM 0 HB THR A 81 -5.555 0.519 1.258 1.00 0.32 H new ATOM 0 HG1 THR A 81 -6.767 -2.017 1.656 1.00 0.36 H new ATOM 0 HG21 THR A 81 -4.815 -0.834 -0.679 1.00 0.40 H new ATOM 0 HG22 THR A 81 -3.488 -0.543 0.472 1.00 0.40 H new ATOM 0 HG23 THR A 81 -4.300 -2.126 0.432 1.00 0.40 H new ATOM 636 N SER A 82 -5.512 0.931 4.341 1.00 0.19 N ATOM 637 CA SER A 82 -6.397 1.716 5.171 1.00 0.20 C ATOM 638 C SER A 82 -6.896 2.883 4.344 1.00 0.24 C ATOM 639 O SER A 82 -6.275 3.944 4.307 1.00 0.29 O ATOM 640 CB SER A 82 -5.672 2.223 6.419 1.00 0.25 C ATOM 641 OG SER A 82 -6.567 2.877 7.304 1.00 1.19 O ATOM 0 H SER A 82 -4.580 1.328 4.222 1.00 0.19 H new ATOM 0 HA SER A 82 -7.231 1.100 5.507 1.00 0.20 H new ATOM 0 HB2 SER A 82 -5.197 1.386 6.931 1.00 0.25 H new ATOM 0 HB3 SER A 82 -4.878 2.911 6.127 1.00 0.25 H new ATOM 0 HG SER A 82 -7.018 2.211 7.864 1.00 1.19 H new ATOM 647 N HIS A 83 -8.005 2.679 3.661 1.00 0.24 N ATOM 648 CA HIS A 83 -8.500 3.687 2.758 1.00 0.30 C ATOM 649 C HIS A 83 -9.908 4.103 3.145 1.00 0.29 C ATOM 650 O HIS A 83 -10.621 3.362 3.827 1.00 0.27 O ATOM 651 CB HIS A 83 -8.422 3.196 1.297 1.00 0.33 C ATOM 652 CG HIS A 83 -9.506 2.257 0.873 1.00 0.32 C ATOM 653 ND1 HIS A 83 -9.957 2.138 -0.438 1.00 0.39 N ATOM 654 CD2 HIS A 83 -10.272 1.422 1.612 1.00 0.28 C ATOM 655 CE1 HIS A 83 -10.969 1.257 -0.441 1.00 0.39 C ATOM 656 NE2 HIS A 83 -11.179 0.830 0.771 1.00 0.33 N ATOM 0 H HIS A 83 -8.572 1.833 3.716 1.00 0.24 H new ATOM 0 HA HIS A 83 -7.866 4.571 2.835 1.00 0.30 H new ATOM 0 HB2 HIS A 83 -8.440 4.065 0.639 1.00 0.33 H new ATOM 0 HB3 HIS A 83 -7.461 2.704 1.149 1.00 0.33 H new ATOM 0 HD1 HIS A 83 -9.585 2.631 -1.250 1.00 0.39 H new ATOM 0 HD2 HIS A 83 -10.185 1.252 2.675 1.00 0.28 H new ATOM 0 HE1 HIS A 83 -11.524 0.949 -1.315 1.00 0.39 H new ATOM 664 N GLY A 84 -10.292 5.296 2.731 1.00 0.35 N ATOM 665 CA GLY A 84 -11.596 5.812 3.078 1.00 0.36 C ATOM 666 C GLY A 84 -11.726 6.051 4.562 1.00 0.36 C ATOM 667 O GLY A 84 -11.326 7.095 5.068 1.00 0.42 O ATOM 0 H GLY A 84 -9.722 5.919 2.159 1.00 0.35 H new ATOM 0 HA2 GLY A 84 -11.772 6.745 2.543 1.00 0.36 H new ATOM 0 HA3 GLY A 84 -12.363 5.109 2.754 1.00 0.36 H new ATOM 671 N ASP A 85 -12.279 5.073 5.254 1.00 0.33 N ATOM 672 CA ASP A 85 -12.495 5.170 6.687 1.00 0.36 C ATOM 673 C ASP A 85 -12.027 3.901 7.394 1.00 0.33 C ATOM 674 O ASP A 85 -11.887 3.873 8.617 1.00 0.38 O ATOM 675 CB ASP A 85 -13.984 5.411 6.953 1.00 0.42 C ATOM 676 CG ASP A 85 -14.343 5.416 8.427 1.00 0.89 C ATOM 677 OD1 ASP A 85 -14.116 6.449 9.098 1.00 0.85 O ATOM 678 OD2 ASP A 85 -14.837 4.382 8.929 1.00 1.59 O ATOM 0 H ASP A 85 -12.590 4.193 4.842 1.00 0.33 H new ATOM 0 HA ASP A 85 -11.913 6.004 7.081 1.00 0.36 H new ATOM 0 HB2 ASP A 85 -14.273 6.366 6.514 1.00 0.42 H new ATOM 0 HB3 ASP A 85 -14.565 4.639 6.448 1.00 0.42 H new ATOM 683 N HIS A 86 -11.741 2.862 6.621 1.00 0.29 N ATOM 684 CA HIS A 86 -11.562 1.532 7.188 1.00 0.27 C ATOM 685 C HIS A 86 -10.312 0.837 6.685 1.00 0.23 C ATOM 686 O HIS A 86 -9.529 1.394 5.914 1.00 0.21 O ATOM 687 CB HIS A 86 -12.789 0.666 6.882 1.00 0.29 C ATOM 688 CG HIS A 86 -13.142 0.573 5.424 1.00 0.27 C ATOM 689 ND1 HIS A 86 -14.412 0.844 4.927 1.00 0.30 N ATOM 690 CD2 HIS A 86 -12.388 0.193 4.348 1.00 0.26 C ATOM 691 CE1 HIS A 86 -14.393 0.618 3.604 1.00 0.30 C ATOM 692 NE2 HIS A 86 -13.208 0.222 3.233 1.00 0.28 N ATOM 0 H HIS A 86 -11.629 2.913 5.608 1.00 0.29 H new ATOM 0 HA HIS A 86 -11.446 1.661 8.264 1.00 0.27 H new ATOM 0 HB2 HIS A 86 -12.612 -0.339 7.264 1.00 0.29 H new ATOM 0 HB3 HIS A 86 -13.645 1.067 7.425 1.00 0.29 H new ATOM 0 HD1 HIS A 86 -15.215 1.159 5.471 1.00 0.30 H new ATOM 0 HD2 HIS A 86 -11.343 -0.080 4.365 1.00 0.26 H new ATOM 0 HE1 HIS A 86 -15.237 0.746 2.943 1.00 0.30 H new ATOM 700 N TYR A 87 -10.132 -0.385 7.162 1.00 0.24 N ATOM 701 CA TYR A 87 -9.079 -1.250 6.680 1.00 0.22 C ATOM 702 C TYR A 87 -9.665 -2.202 5.661 1.00 0.22 C ATOM 703 O TYR A 87 -10.675 -2.859 5.920 1.00 0.26 O ATOM 704 CB TYR A 87 -8.455 -2.045 7.831 1.00 0.25 C ATOM 705 CG TYR A 87 -7.978 -1.179 8.968 1.00 0.29 C ATOM 706 CD1 TYR A 87 -7.327 0.008 8.710 1.00 0.27 C ATOM 707 CD2 TYR A 87 -8.181 -1.546 10.292 1.00 0.38 C ATOM 708 CE1 TYR A 87 -6.885 0.817 9.725 1.00 0.32 C ATOM 709 CE2 TYR A 87 -7.741 -0.741 11.326 1.00 0.43 C ATOM 710 CZ TYR A 87 -7.092 0.442 11.038 1.00 0.40 C ATOM 711 OH TYR A 87 -6.652 1.251 12.065 1.00 0.46 O ATOM 0 H TYR A 87 -10.712 -0.799 7.892 1.00 0.24 H new ATOM 0 HA TYR A 87 -8.296 -0.642 6.226 1.00 0.22 H new ATOM 0 HB2 TYR A 87 -9.188 -2.757 8.210 1.00 0.25 H new ATOM 0 HB3 TYR A 87 -7.615 -2.625 7.449 1.00 0.25 H new ATOM 0 HD1 TYR A 87 -7.161 0.308 7.686 1.00 0.27 H new ATOM 0 HD2 TYR A 87 -8.689 -2.472 10.517 1.00 0.38 H new ATOM 0 HE1 TYR A 87 -6.377 1.743 9.499 1.00 0.32 H new ATOM 0 HE2 TYR A 87 -7.904 -1.036 12.352 1.00 0.43 H new ATOM 0 HH TYR A 87 -6.879 0.840 12.925 1.00 0.46 H new ATOM 721 N HIS A 88 -9.031 -2.282 4.517 1.00 0.21 N ATOM 722 CA HIS A 88 -9.513 -3.109 3.441 1.00 0.25 C ATOM 723 C HIS A 88 -8.365 -3.974 2.948 1.00 0.26 C ATOM 724 O HIS A 88 -7.274 -3.469 2.674 1.00 0.28 O ATOM 725 CB HIS A 88 -10.071 -2.226 2.312 1.00 0.29 C ATOM 726 CG HIS A 88 -11.169 -2.882 1.533 1.00 0.35 C ATOM 727 ND1 HIS A 88 -12.318 -2.229 1.167 1.00 0.38 N ATOM 728 CD2 HIS A 88 -11.266 -4.163 1.087 1.00 0.43 C ATOM 729 CE1 HIS A 88 -13.084 -3.083 0.542 1.00 0.47 C ATOM 730 NE2 HIS A 88 -12.489 -4.286 0.459 1.00 0.51 N ATOM 0 H HIS A 88 -8.170 -1.777 4.307 1.00 0.21 H new ATOM 0 HA HIS A 88 -10.322 -3.753 3.787 1.00 0.25 H new ATOM 0 HB2 HIS A 88 -10.444 -1.295 2.739 1.00 0.29 H new ATOM 0 HB3 HIS A 88 -9.261 -1.962 1.632 1.00 0.29 H new ATOM 0 HD2 HIS A 88 -10.524 -4.939 1.203 1.00 0.43 H new ATOM 0 HE1 HIS A 88 -14.062 -2.854 0.146 1.00 0.47 H new ATOM 0 HE2 HIS A 88 -12.867 -5.125 0.019 1.00 0.51 H new ATOM 738 N TYR A 89 -8.593 -5.271 2.855 1.00 0.28 N ATOM 739 CA TYR A 89 -7.537 -6.186 2.465 1.00 0.31 C ATOM 740 C TYR A 89 -7.475 -6.247 0.951 1.00 0.36 C ATOM 741 O TYR A 89 -8.490 -6.413 0.287 1.00 0.44 O ATOM 742 CB TYR A 89 -7.780 -7.579 3.054 1.00 0.45 C ATOM 743 CG TYR A 89 -6.533 -8.431 3.160 1.00 0.45 C ATOM 744 CD1 TYR A 89 -5.345 -8.045 2.556 1.00 0.45 C ATOM 745 CD2 TYR A 89 -6.542 -9.622 3.874 1.00 0.59 C ATOM 746 CE1 TYR A 89 -4.210 -8.812 2.654 1.00 0.50 C ATOM 747 CE2 TYR A 89 -5.405 -10.399 3.978 1.00 0.62 C ATOM 748 CZ TYR A 89 -4.241 -9.991 3.366 1.00 0.53 C ATOM 749 OH TYR A 89 -3.106 -10.767 3.465 1.00 0.60 O ATOM 0 H TYR A 89 -9.493 -5.712 3.043 1.00 0.28 H new ATOM 0 HA TYR A 89 -6.584 -5.827 2.854 1.00 0.31 H new ATOM 0 HB2 TYR A 89 -8.219 -7.471 4.046 1.00 0.45 H new ATOM 0 HB3 TYR A 89 -8.512 -8.100 2.437 1.00 0.45 H new ATOM 0 HD1 TYR A 89 -5.312 -7.122 1.997 1.00 0.45 H new ATOM 0 HD2 TYR A 89 -7.453 -9.946 4.356 1.00 0.59 H new ATOM 0 HE1 TYR A 89 -3.297 -8.492 2.175 1.00 0.50 H new ATOM 0 HE2 TYR A 89 -5.429 -11.323 4.537 1.00 0.62 H new ATOM 0 HH TYR A 89 -3.300 -11.563 4.002 1.00 0.60 H new ATOM 759 N TYR A 90 -6.280 -6.114 0.418 1.00 0.45 N ATOM 760 CA TYR A 90 -6.090 -5.916 -1.000 1.00 0.69 C ATOM 761 C TYR A 90 -5.095 -6.927 -1.553 1.00 0.55 C ATOM 762 O TYR A 90 -4.278 -7.472 -0.818 1.00 0.47 O ATOM 763 CB TYR A 90 -5.630 -4.475 -1.194 1.00 1.04 C ATOM 764 CG TYR A 90 -5.446 -4.005 -2.614 1.00 0.95 C ATOM 765 CD1 TYR A 90 -6.525 -3.524 -3.334 1.00 1.32 C ATOM 766 CD2 TYR A 90 -4.195 -4.000 -3.218 1.00 1.70 C ATOM 767 CE1 TYR A 90 -6.372 -3.058 -4.618 1.00 2.07 C ATOM 768 CE2 TYR A 90 -4.030 -3.527 -4.507 1.00 2.40 C ATOM 769 CZ TYR A 90 -5.124 -3.059 -5.203 1.00 2.47 C ATOM 770 OH TYR A 90 -4.970 -2.583 -6.484 1.00 3.42 O ATOM 0 H TYR A 90 -5.414 -6.140 0.956 1.00 0.45 H new ATOM 0 HA TYR A 90 -7.016 -6.078 -1.552 1.00 0.69 H new ATOM 0 HB2 TYR A 90 -6.354 -3.819 -0.710 1.00 1.04 H new ATOM 0 HB3 TYR A 90 -4.684 -4.347 -0.669 1.00 1.04 H new ATOM 0 HD1 TYR A 90 -7.505 -3.515 -2.879 1.00 1.32 H new ATOM 0 HD2 TYR A 90 -3.339 -4.371 -2.673 1.00 1.70 H new ATOM 0 HE1 TYR A 90 -7.227 -2.692 -5.167 1.00 2.07 H new ATOM 0 HE2 TYR A 90 -3.052 -3.524 -4.965 1.00 2.40 H new ATOM 0 HH TYR A 90 -4.341 -3.154 -6.972 1.00 3.42 H new ATOM 780 N ASN A 91 -5.190 -7.200 -2.839 1.00 0.67 N ATOM 781 CA ASN A 91 -4.355 -8.217 -3.470 1.00 0.59 C ATOM 782 C ASN A 91 -3.732 -7.666 -4.747 1.00 0.49 C ATOM 783 O ASN A 91 -3.921 -6.496 -5.072 1.00 0.69 O ATOM 784 CB ASN A 91 -5.194 -9.462 -3.778 1.00 0.85 C ATOM 785 CG ASN A 91 -4.355 -10.716 -3.958 1.00 1.27 C ATOM 786 OD1 ASN A 91 -3.941 -11.051 -5.068 1.00 1.58 O ATOM 787 ND2 ASN A 91 -4.096 -11.415 -2.868 1.00 2.04 N ATOM 0 H ASN A 91 -5.838 -6.733 -3.474 1.00 0.67 H new ATOM 0 HA ASN A 91 -3.553 -8.495 -2.786 1.00 0.59 H new ATOM 0 HB2 ASN A 91 -5.907 -9.622 -2.969 1.00 0.85 H new ATOM 0 HB3 ASN A 91 -5.774 -9.287 -4.684 1.00 0.85 H new ATOM 0 HD21 ASN A 91 -3.535 -12.265 -2.928 1.00 2.04 H new ATOM 0 HD22 ASN A 91 -4.457 -11.105 -1.966 1.00 2.04 H new ATOM 794 N GLY A 92 -3.005 -8.501 -5.472 1.00 0.40 N ATOM 795 CA GLY A 92 -2.334 -8.048 -6.674 1.00 0.41 C ATOM 796 C GLY A 92 -1.107 -7.237 -6.339 1.00 0.33 C ATOM 797 O GLY A 92 -0.524 -7.422 -5.275 1.00 0.47 O ATOM 0 H GLY A 92 -2.867 -9.487 -5.250 1.00 0.40 H new ATOM 0 HA2 GLY A 92 -2.051 -8.907 -7.282 1.00 0.41 H new ATOM 0 HA3 GLY A 92 -3.019 -7.447 -7.272 1.00 0.41 H new ATOM 801 N LYS A 93 -0.698 -6.361 -7.245 1.00 0.40 N ATOM 802 CA LYS A 93 0.400 -5.444 -6.985 1.00 0.35 C ATOM 803 C LYS A 93 -0.133 -4.076 -6.617 1.00 0.35 C ATOM 804 O LYS A 93 -1.235 -3.702 -7.014 1.00 0.47 O ATOM 805 CB LYS A 93 1.293 -5.340 -8.214 1.00 0.36 C ATOM 806 CG LYS A 93 1.886 -6.661 -8.589 1.00 0.39 C ATOM 807 CD LYS A 93 2.778 -7.164 -7.481 1.00 0.63 C ATOM 808 CE LYS A 93 3.471 -8.441 -7.879 1.00 1.42 C ATOM 809 NZ LYS A 93 3.909 -9.220 -6.693 1.00 2.03 N ATOM 0 H LYS A 93 -1.113 -6.267 -8.172 1.00 0.40 H new ATOM 0 HA LYS A 93 0.986 -5.828 -6.150 1.00 0.35 H new ATOM 0 HB2 LYS A 93 0.713 -4.952 -9.052 1.00 0.36 H new ATOM 0 HB3 LYS A 93 2.093 -4.625 -8.022 1.00 0.36 H new ATOM 0 HG2 LYS A 93 1.092 -7.382 -8.783 1.00 0.39 H new ATOM 0 HG3 LYS A 93 2.459 -6.562 -9.511 1.00 0.39 H new ATOM 0 HD2 LYS A 93 3.521 -6.405 -7.235 1.00 0.63 H new ATOM 0 HD3 LYS A 93 2.186 -7.333 -6.582 1.00 0.63 H new ATOM 0 HE2 LYS A 93 2.797 -9.047 -8.484 1.00 1.42 H new ATOM 0 HE3 LYS A 93 4.335 -8.208 -8.501 1.00 1.42 H new ATOM 0 HZ1 LYS A 93 4.855 -9.614 -6.867 1.00 2.03 H new ATOM 0 HZ2 LYS A 93 3.941 -8.597 -5.861 1.00 2.03 H new ATOM 0 HZ3 LYS A 93 3.238 -9.995 -6.519 1.00 2.03 H new ATOM 823 N VAL A 94 0.650 -3.340 -5.849 1.00 0.31 N ATOM 824 CA VAL A 94 0.285 -1.980 -5.485 1.00 0.29 C ATOM 825 C VAL A 94 0.313 -1.112 -6.735 1.00 0.28 C ATOM 826 O VAL A 94 1.332 -1.057 -7.425 1.00 0.30 O ATOM 827 CB VAL A 94 1.244 -1.374 -4.436 1.00 0.29 C ATOM 828 CG1 VAL A 94 0.663 -0.089 -3.870 1.00 0.32 C ATOM 829 CG2 VAL A 94 1.549 -2.361 -3.319 1.00 0.41 C ATOM 0 H VAL A 94 1.540 -3.658 -5.466 1.00 0.31 H new ATOM 0 HA VAL A 94 -0.712 -2.011 -5.045 1.00 0.29 H new ATOM 0 HB VAL A 94 2.184 -1.145 -4.937 1.00 0.29 H new ATOM 0 HG11 VAL A 94 1.349 0.327 -3.132 1.00 0.32 H new ATOM 0 HG12 VAL A 94 0.517 0.630 -4.676 1.00 0.32 H new ATOM 0 HG13 VAL A 94 -0.295 -0.301 -3.395 1.00 0.32 H new ATOM 0 HG21 VAL A 94 2.226 -1.899 -2.600 1.00 0.41 H new ATOM 0 HG22 VAL A 94 0.623 -2.640 -2.817 1.00 0.41 H new ATOM 0 HG23 VAL A 94 2.017 -3.252 -3.738 1.00 0.41 H new ATOM 839 N PRO A 95 -0.796 -0.437 -7.060 1.00 0.27 N ATOM 840 CA PRO A 95 -0.879 0.363 -8.270 1.00 0.28 C ATOM 841 C PRO A 95 0.029 1.574 -8.213 1.00 0.25 C ATOM 842 O PRO A 95 0.362 2.046 -7.124 1.00 0.27 O ATOM 843 CB PRO A 95 -2.336 0.800 -8.348 1.00 0.33 C ATOM 844 CG PRO A 95 -2.871 0.655 -6.971 1.00 0.33 C ATOM 845 CD PRO A 95 -2.039 -0.393 -6.274 1.00 0.30 C ATOM 0 HA PRO A 95 -0.560 -0.207 -9.142 1.00 0.28 H new ATOM 0 HB2 PRO A 95 -2.418 1.830 -8.694 1.00 0.33 H new ATOM 0 HB3 PRO A 95 -2.893 0.182 -9.052 1.00 0.33 H new ATOM 0 HG2 PRO A 95 -2.820 1.604 -6.437 1.00 0.33 H new ATOM 0 HG3 PRO A 95 -3.920 0.359 -6.995 1.00 0.33 H new ATOM 0 HD2 PRO A 95 -1.846 -0.124 -5.235 1.00 0.30 H new ATOM 0 HD3 PRO A 95 -2.541 -1.361 -6.265 1.00 0.30 H new ATOM 853 N TYR A 96 0.422 2.067 -9.370 1.00 0.26 N ATOM 854 CA TYR A 96 1.393 3.148 -9.456 1.00 0.27 C ATOM 855 C TYR A 96 0.984 4.315 -8.558 1.00 0.26 C ATOM 856 O TYR A 96 1.794 4.828 -7.783 1.00 0.30 O ATOM 857 CB TYR A 96 1.522 3.614 -10.912 1.00 0.33 C ATOM 858 CG TYR A 96 2.849 4.269 -11.237 1.00 0.38 C ATOM 859 CD1 TYR A 96 3.414 5.201 -10.384 1.00 0.30 C ATOM 860 CD2 TYR A 96 3.535 3.948 -12.402 1.00 0.61 C ATOM 861 CE1 TYR A 96 4.619 5.797 -10.672 1.00 0.35 C ATOM 862 CE2 TYR A 96 4.746 4.541 -12.702 1.00 0.68 C ATOM 863 CZ TYR A 96 5.286 5.466 -11.833 1.00 0.51 C ATOM 864 OH TYR A 96 6.492 6.061 -12.126 1.00 0.59 O ATOM 0 H TYR A 96 0.083 1.735 -10.273 1.00 0.26 H new ATOM 0 HA TYR A 96 2.359 2.779 -9.112 1.00 0.27 H new ATOM 0 HB2 TYR A 96 1.381 2.757 -11.570 1.00 0.33 H new ATOM 0 HB3 TYR A 96 0.719 4.318 -11.129 1.00 0.33 H new ATOM 0 HD1 TYR A 96 2.898 5.466 -9.473 1.00 0.30 H new ATOM 0 HD2 TYR A 96 3.115 3.223 -13.084 1.00 0.61 H new ATOM 0 HE1 TYR A 96 5.042 6.522 -9.992 1.00 0.35 H new ATOM 0 HE2 TYR A 96 5.267 4.282 -13.612 1.00 0.68 H new ATOM 0 HH TYR A 96 6.828 5.716 -12.979 1.00 0.59 H new ATOM 874 N ASP A 97 -0.284 4.693 -8.621 1.00 0.28 N ATOM 875 CA ASP A 97 -0.749 5.885 -7.919 1.00 0.33 C ATOM 876 C ASP A 97 -1.394 5.560 -6.571 1.00 0.32 C ATOM 877 O ASP A 97 -2.131 6.381 -6.021 1.00 0.38 O ATOM 878 CB ASP A 97 -1.721 6.694 -8.787 1.00 0.43 C ATOM 879 CG ASP A 97 -2.872 5.871 -9.334 1.00 1.07 C ATOM 880 OD1 ASP A 97 -3.798 5.556 -8.555 1.00 1.07 O ATOM 881 OD2 ASP A 97 -2.855 5.518 -10.527 1.00 1.82 O ATOM 0 H ASP A 97 -1.006 4.198 -9.145 1.00 0.28 H new ATOM 0 HA ASP A 97 0.137 6.488 -7.720 1.00 0.33 H new ATOM 0 HB2 ASP A 97 -2.122 7.518 -8.198 1.00 0.43 H new ATOM 0 HB3 ASP A 97 -1.172 7.135 -9.619 1.00 0.43 H new ATOM 886 N ALA A 98 -1.116 4.375 -6.035 1.00 0.27 N ATOM 887 CA ALA A 98 -1.570 4.027 -4.690 1.00 0.27 C ATOM 888 C ALA A 98 -0.824 4.847 -3.650 1.00 0.26 C ATOM 889 O ALA A 98 0.186 5.476 -3.958 1.00 0.40 O ATOM 890 CB ALA A 98 -1.367 2.550 -4.411 1.00 0.30 C ATOM 0 H ALA A 98 -0.583 3.644 -6.506 1.00 0.27 H new ATOM 0 HA ALA A 98 -2.635 4.250 -4.631 1.00 0.27 H new ATOM 0 HB1 ALA A 98 -1.713 2.319 -3.404 1.00 0.30 H new ATOM 0 HB2 ALA A 98 -1.934 1.962 -5.133 1.00 0.30 H new ATOM 0 HB3 ALA A 98 -0.308 2.306 -4.495 1.00 0.30 H new ATOM 896 N ILE A 99 -1.338 4.854 -2.429 1.00 0.18 N ATOM 897 CA ILE A 99 -0.708 5.562 -1.329 1.00 0.17 C ATOM 898 C ILE A 99 -0.226 4.565 -0.274 1.00 0.16 C ATOM 899 O ILE A 99 -0.872 3.546 -0.040 1.00 0.16 O ATOM 900 CB ILE A 99 -1.705 6.548 -0.697 1.00 0.21 C ATOM 901 CG1 ILE A 99 -2.326 7.422 -1.786 1.00 0.21 C ATOM 902 CG2 ILE A 99 -1.032 7.408 0.361 1.00 0.26 C ATOM 903 CD1 ILE A 99 -1.335 8.289 -2.530 1.00 0.29 C ATOM 0 H ILE A 99 -2.200 4.371 -2.175 1.00 0.18 H new ATOM 0 HA ILE A 99 0.148 6.118 -1.712 1.00 0.17 H new ATOM 0 HB ILE A 99 -2.492 5.977 -0.205 1.00 0.21 H new ATOM 0 HG12 ILE A 99 -2.838 6.780 -2.502 1.00 0.21 H new ATOM 0 HG13 ILE A 99 -3.083 8.062 -1.334 1.00 0.21 H new ATOM 0 HG21 ILE A 99 -1.762 8.095 0.790 1.00 0.26 H new ATOM 0 HG22 ILE A 99 -0.629 6.769 1.147 1.00 0.26 H new ATOM 0 HG23 ILE A 99 -0.222 7.977 -0.094 1.00 0.26 H new ATOM 0 HD11 ILE A 99 -1.859 8.876 -3.284 1.00 0.29 H new ATOM 0 HD12 ILE A 99 -0.839 8.960 -1.828 1.00 0.29 H new ATOM 0 HD13 ILE A 99 -0.591 7.657 -3.015 1.00 0.29 H new ATOM 915 N ILE A 100 0.912 4.842 0.339 1.00 0.17 N ATOM 916 CA ILE A 100 1.479 3.961 1.351 1.00 0.18 C ATOM 917 C ILE A 100 1.554 4.660 2.707 1.00 0.18 C ATOM 918 O ILE A 100 1.686 5.882 2.786 1.00 0.20 O ATOM 919 CB ILE A 100 2.899 3.510 0.950 1.00 0.20 C ATOM 920 CG1 ILE A 100 2.892 2.864 -0.437 1.00 0.21 C ATOM 921 CG2 ILE A 100 3.465 2.545 1.983 1.00 0.22 C ATOM 922 CD1 ILE A 100 2.251 1.493 -0.477 1.00 0.23 C ATOM 0 H ILE A 100 1.467 5.677 0.153 1.00 0.17 H new ATOM 0 HA ILE A 100 0.825 3.092 1.426 1.00 0.18 H new ATOM 0 HB ILE A 100 3.538 4.392 0.913 1.00 0.20 H new ATOM 0 HG12 ILE A 100 2.364 3.520 -1.129 1.00 0.21 H new ATOM 0 HG13 ILE A 100 3.919 2.784 -0.794 1.00 0.21 H new ATOM 0 HG21 ILE A 100 4.467 2.238 1.683 1.00 0.22 H new ATOM 0 HG22 ILE A 100 3.512 3.038 2.954 1.00 0.22 H new ATOM 0 HG23 ILE A 100 2.822 1.668 2.052 1.00 0.22 H new ATOM 0 HD11 ILE A 100 2.286 1.104 -1.495 1.00 0.23 H new ATOM 0 HD12 ILE A 100 2.792 0.819 0.188 1.00 0.23 H new ATOM 0 HD13 ILE A 100 1.213 1.567 -0.153 1.00 0.23 H new ATOM 934 N SER A 101 1.456 3.877 3.770 1.00 0.20 N ATOM 935 CA SER A 101 1.675 4.371 5.116 1.00 0.20 C ATOM 936 C SER A 101 3.163 4.595 5.358 1.00 0.20 C ATOM 937 O SER A 101 4.007 3.820 4.903 1.00 0.23 O ATOM 938 CB SER A 101 1.135 3.365 6.131 1.00 0.22 C ATOM 939 OG SER A 101 1.538 3.695 7.451 1.00 0.89 O ATOM 0 H SER A 101 1.223 2.885 3.722 1.00 0.20 H new ATOM 0 HA SER A 101 1.150 5.319 5.233 1.00 0.20 H new ATOM 0 HB2 SER A 101 0.047 3.340 6.077 1.00 0.22 H new ATOM 0 HB3 SER A 101 1.490 2.366 5.880 1.00 0.22 H new ATOM 0 HG SER A 101 1.132 3.066 8.084 1.00 0.89 H new ATOM 945 N GLU A 102 3.471 5.659 6.093 1.00 0.20 N ATOM 946 CA GLU A 102 4.842 6.003 6.439 1.00 0.21 C ATOM 947 C GLU A 102 5.492 4.883 7.239 1.00 0.24 C ATOM 948 O GLU A 102 6.716 4.776 7.292 1.00 0.29 O ATOM 949 CB GLU A 102 4.866 7.279 7.272 1.00 0.25 C ATOM 950 CG GLU A 102 4.310 7.070 8.670 1.00 0.31 C ATOM 951 CD GLU A 102 4.812 8.092 9.664 1.00 0.94 C ATOM 952 OE1 GLU A 102 6.011 8.434 9.620 1.00 1.22 O ATOM 953 OE2 GLU A 102 4.007 8.560 10.493 1.00 1.71 O ATOM 0 H GLU A 102 2.775 6.306 6.465 1.00 0.20 H new ATOM 0 HA GLU A 102 5.396 6.153 5.513 1.00 0.21 H new ATOM 0 HB2 GLU A 102 5.891 7.644 7.343 1.00 0.25 H new ATOM 0 HB3 GLU A 102 4.287 8.051 6.765 1.00 0.25 H new ATOM 0 HG2 GLU A 102 3.221 7.112 8.632 1.00 0.31 H new ATOM 0 HG3 GLU A 102 4.578 6.072 9.016 1.00 0.31 H new ATOM 960 N GLU A 103 4.657 4.073 7.878 1.00 0.27 N ATOM 961 CA GLU A 103 5.120 2.940 8.666 1.00 0.34 C ATOM 962 C GLU A 103 5.880 1.943 7.808 1.00 0.31 C ATOM 963 O GLU A 103 6.711 1.182 8.303 1.00 0.41 O ATOM 964 CB GLU A 103 3.939 2.233 9.307 1.00 0.43 C ATOM 965 CG GLU A 103 3.242 3.035 10.378 1.00 0.67 C ATOM 966 CD GLU A 103 2.086 2.271 10.979 1.00 1.15 C ATOM 967 OE1 GLU A 103 2.309 1.496 11.931 1.00 1.48 O ATOM 968 OE2 GLU A 103 0.945 2.448 10.506 1.00 1.42 O ATOM 0 H GLU A 103 3.643 4.183 7.864 1.00 0.27 H new ATOM 0 HA GLU A 103 5.789 3.326 9.435 1.00 0.34 H new ATOM 0 HB2 GLU A 103 3.217 1.980 8.531 1.00 0.43 H new ATOM 0 HB3 GLU A 103 4.284 1.294 9.739 1.00 0.43 H new ATOM 0 HG2 GLU A 103 3.954 3.294 11.161 1.00 0.67 H new ATOM 0 HG3 GLU A 103 2.879 3.972 9.954 1.00 0.67 H new ATOM 975 N LEU A 104 5.584 1.947 6.523 1.00 0.23 N ATOM 976 CA LEU A 104 6.170 0.987 5.608 1.00 0.25 C ATOM 977 C LEU A 104 7.363 1.574 4.873 1.00 0.27 C ATOM 978 O LEU A 104 7.920 0.936 3.983 1.00 0.29 O ATOM 979 CB LEU A 104 5.116 0.503 4.618 1.00 0.27 C ATOM 980 CG LEU A 104 3.991 -0.311 5.243 1.00 0.28 C ATOM 981 CD1 LEU A 104 2.919 -0.620 4.214 1.00 0.33 C ATOM 982 CD2 LEU A 104 4.547 -1.591 5.837 1.00 0.30 C ATOM 0 H LEU A 104 4.939 2.607 6.088 1.00 0.23 H new ATOM 0 HA LEU A 104 6.530 0.139 6.190 1.00 0.25 H new ATOM 0 HB2 LEU A 104 4.685 1.368 4.113 1.00 0.27 H new ATOM 0 HB3 LEU A 104 5.604 -0.102 3.854 1.00 0.27 H new ATOM 0 HG LEU A 104 3.535 0.276 6.040 1.00 0.28 H new ATOM 0 HD11 LEU A 104 2.124 -1.202 4.680 1.00 0.33 H new ATOM 0 HD12 LEU A 104 2.507 0.312 3.827 1.00 0.33 H new ATOM 0 HD13 LEU A 104 3.355 -1.192 3.395 1.00 0.33 H new ATOM 0 HD21 LEU A 104 3.736 -2.168 6.282 1.00 0.30 H new ATOM 0 HD22 LEU A 104 5.023 -2.180 5.053 1.00 0.30 H new ATOM 0 HD23 LEU A 104 5.282 -1.347 6.604 1.00 0.30 H new ATOM 994 N LEU A 105 7.761 2.784 5.243 1.00 0.43 N ATOM 995 CA LEU A 105 8.925 3.397 4.647 1.00 0.54 C ATOM 996 C LEU A 105 10.169 2.589 4.948 1.00 0.46 C ATOM 997 O LEU A 105 10.334 2.041 6.042 1.00 0.53 O ATOM 998 CB LEU A 105 9.086 4.830 5.129 1.00 0.88 C ATOM 999 CG LEU A 105 8.169 5.831 4.445 1.00 0.30 C ATOM 1000 CD1 LEU A 105 8.452 7.234 4.940 1.00 1.01 C ATOM 1001 CD2 LEU A 105 8.365 5.751 2.945 1.00 1.09 C ATOM 0 H LEU A 105 7.294 3.352 5.949 1.00 0.43 H new ATOM 0 HA LEU A 105 8.783 3.415 3.566 1.00 0.54 H new ATOM 0 HB2 LEU A 105 8.901 4.862 6.203 1.00 0.88 H new ATOM 0 HB3 LEU A 105 10.120 5.138 4.974 1.00 0.88 H new ATOM 0 HG LEU A 105 7.134 5.589 4.685 1.00 0.30 H new ATOM 0 HD11 LEU A 105 7.786 7.937 4.440 1.00 1.01 H new ATOM 0 HD12 LEU A 105 8.286 7.280 6.016 1.00 1.01 H new ATOM 0 HD13 LEU A 105 9.487 7.495 4.721 1.00 1.01 H new ATOM 0 HD21 LEU A 105 7.708 6.468 2.453 1.00 1.09 H new ATOM 0 HD22 LEU A 105 9.402 5.982 2.701 1.00 1.09 H new ATOM 0 HD23 LEU A 105 8.126 4.745 2.600 1.00 1.09 H new ATOM 1013 N MET A 106 11.037 2.529 3.957 1.00 0.41 N ATOM 1014 CA MET A 106 12.213 1.690 4.006 1.00 0.45 C ATOM 1015 C MET A 106 13.208 2.149 5.065 1.00 0.92 C ATOM 1016 O MET A 106 13.329 3.334 5.378 1.00 1.28 O ATOM 1017 CB MET A 106 12.884 1.641 2.627 1.00 0.27 C ATOM 1018 CG MET A 106 14.279 1.028 2.649 1.00 0.30 C ATOM 1019 SD MET A 106 14.298 -0.606 3.416 1.00 1.05 S ATOM 1020 CE MET A 106 14.686 -1.628 2.019 1.00 0.50 C ATOM 0 H MET A 106 10.944 3.064 3.093 1.00 0.41 H new ATOM 0 HA MET A 106 11.887 0.688 4.286 1.00 0.45 H new ATOM 0 HB2 MET A 106 12.255 1.068 1.946 1.00 0.27 H new ATOM 0 HB3 MET A 106 12.947 2.653 2.227 1.00 0.27 H new ATOM 0 HG2 MET A 106 14.656 0.952 1.629 1.00 0.30 H new ATOM 0 HG3 MET A 106 14.955 1.689 3.191 1.00 0.30 H new ATOM 0 HE1 MET A 106 13.988 -2.464 1.975 1.00 0.50 H new ATOM 0 HE2 MET A 106 14.606 -1.040 1.105 1.00 0.50 H new ATOM 0 HE3 MET A 106 15.703 -2.009 2.118 1.00 0.50 H new ATOM 1030 N LYS A 107 13.911 1.159 5.581 1.00 1.28 N ATOM 1031 CA LYS A 107 14.986 1.323 6.529 1.00 1.66 C ATOM 1032 C LYS A 107 16.157 2.050 5.882 1.00 1.09 C ATOM 1033 O LYS A 107 16.196 2.217 4.665 1.00 1.52 O ATOM 1034 CB LYS A 107 15.437 -0.037 7.066 1.00 2.68 C ATOM 1035 CG LYS A 107 14.306 -0.856 7.669 1.00 3.57 C ATOM 1036 CD LYS A 107 14.809 -2.151 8.285 1.00 4.57 C ATOM 1037 CE LYS A 107 15.694 -1.894 9.492 1.00 5.18 C ATOM 1038 NZ LYS A 107 14.968 -1.183 10.579 1.00 5.65 N ATOM 0 H LYS A 107 13.739 0.183 5.339 1.00 1.28 H new ATOM 0 HA LYS A 107 14.622 1.922 7.364 1.00 1.66 H new ATOM 0 HB2 LYS A 107 15.895 -0.605 6.256 1.00 2.68 H new ATOM 0 HB3 LYS A 107 16.207 0.117 7.822 1.00 2.68 H new ATOM 0 HG2 LYS A 107 13.797 -0.266 8.431 1.00 3.57 H new ATOM 0 HG3 LYS A 107 13.571 -1.083 6.897 1.00 3.57 H new ATOM 0 HD2 LYS A 107 13.960 -2.767 8.581 1.00 4.57 H new ATOM 0 HD3 LYS A 107 15.367 -2.716 7.538 1.00 4.57 H new ATOM 0 HE2 LYS A 107 16.074 -2.843 9.871 1.00 5.18 H new ATOM 0 HE3 LYS A 107 16.558 -1.304 9.188 1.00 5.18 H new ATOM 0 HZ1 LYS A 107 15.512 -1.251 11.462 1.00 5.65 H new ATOM 0 HZ2 LYS A 107 14.850 -0.182 10.321 1.00 5.65 H new ATOM 0 HZ3 LYS A 107 14.033 -1.618 10.714 1.00 5.65 H new ATOM 1052 N ASP A 108 17.071 2.483 6.729 1.00 1.16 N ATOM 1053 CA ASP A 108 18.155 3.407 6.445 1.00 1.22 C ATOM 1054 C ASP A 108 18.633 3.458 4.993 1.00 1.17 C ATOM 1055 O ASP A 108 18.723 2.442 4.299 1.00 1.12 O ATOM 1056 CB ASP A 108 19.313 2.941 7.297 1.00 1.88 C ATOM 1057 CG ASP A 108 18.992 2.950 8.779 1.00 2.55 C ATOM 1058 OD1 ASP A 108 18.166 2.124 9.219 1.00 2.80 O ATOM 1059 OD2 ASP A 108 19.563 3.787 9.513 1.00 3.03 O ATOM 0 H ASP A 108 17.077 2.178 7.702 1.00 1.16 H new ATOM 0 HA ASP A 108 17.788 4.412 6.655 1.00 1.22 H new ATOM 0 HB2 ASP A 108 19.596 1.932 6.997 1.00 1.88 H new ATOM 0 HB3 ASP A 108 20.175 3.582 7.113 1.00 1.88 H new ATOM 1064 N PRO A 109 19.022 4.677 4.557 1.00 1.79 N ATOM 1065 CA PRO A 109 19.469 4.961 3.188 1.00 2.23 C ATOM 1066 C PRO A 109 20.791 4.281 2.861 1.00 2.02 C ATOM 1067 O PRO A 109 21.303 4.389 1.746 1.00 2.25 O ATOM 1068 CB PRO A 109 19.624 6.480 3.160 1.00 3.08 C ATOM 1069 CG PRO A 109 19.862 6.861 4.576 1.00 3.14 C ATOM 1070 CD PRO A 109 19.074 5.884 5.401 1.00 2.41 C ATOM 0 HA PRO A 109 18.764 4.585 2.447 1.00 2.23 H new ATOM 0 HB2 PRO A 109 20.456 6.781 2.524 1.00 3.08 H new ATOM 0 HB3 PRO A 109 18.730 6.962 2.765 1.00 3.08 H new ATOM 0 HG2 PRO A 109 20.923 6.813 4.821 1.00 3.14 H new ATOM 0 HG3 PRO A 109 19.537 7.884 4.766 1.00 3.14 H new ATOM 0 HD2 PRO A 109 19.559 5.684 6.356 1.00 2.41 H new ATOM 0 HD3 PRO A 109 18.076 6.261 5.623 1.00 2.41 H new ATOM 1078 N ASN A 110 21.353 3.604 3.853 1.00 1.75 N ATOM 1079 CA ASN A 110 22.494 2.728 3.621 1.00 1.67 C ATOM 1080 C ASN A 110 22.043 1.550 2.768 1.00 1.25 C ATOM 1081 O ASN A 110 22.848 0.878 2.120 1.00 1.26 O ATOM 1082 CB ASN A 110 23.089 2.238 4.947 1.00 1.96 C ATOM 1083 CG ASN A 110 24.246 1.275 4.751 1.00 2.05 C ATOM 1084 OD1 ASN A 110 24.067 0.053 4.768 1.00 2.18 O ATOM 1085 ND2 ASN A 110 25.437 1.816 4.550 1.00 2.57 N ATOM 0 H ASN A 110 21.039 3.644 4.823 1.00 1.75 H new ATOM 0 HA ASN A 110 23.273 3.283 3.098 1.00 1.67 H new ATOM 0 HB2 ASN A 110 23.430 3.096 5.526 1.00 1.96 H new ATOM 0 HB3 ASN A 110 22.310 1.749 5.531 1.00 1.96 H new ATOM 0 HD21 ASN A 110 26.250 1.218 4.402 1.00 2.57 H new ATOM 0 HD22 ASN A 110 25.542 2.831 4.543 1.00 2.57 H new ATOM 1092 N TYR A 111 20.739 1.314 2.767 1.00 0.95 N ATOM 1093 CA TYR A 111 20.140 0.390 1.827 1.00 0.70 C ATOM 1094 C TYR A 111 19.944 1.090 0.493 1.00 0.60 C ATOM 1095 O TYR A 111 19.459 2.222 0.440 1.00 0.80 O ATOM 1096 CB TYR A 111 18.783 -0.123 2.323 1.00 0.70 C ATOM 1097 CG TYR A 111 18.133 -1.059 1.325 1.00 0.76 C ATOM 1098 CD1 TYR A 111 18.410 -2.424 1.306 1.00 0.94 C ATOM 1099 CD2 TYR A 111 17.258 -0.557 0.374 1.00 0.89 C ATOM 1100 CE1 TYR A 111 17.828 -3.254 0.365 1.00 1.18 C ATOM 1101 CE2 TYR A 111 16.679 -1.377 -0.571 1.00 1.12 C ATOM 1102 CZ TYR A 111 16.966 -2.723 -0.574 1.00 1.23 C ATOM 1103 OH TYR A 111 16.400 -3.532 -1.533 1.00 1.57 O ATOM 0 H TYR A 111 20.079 1.752 3.409 1.00 0.95 H new ATOM 0 HA TYR A 111 20.810 -0.463 1.721 1.00 0.70 H new ATOM 0 HB2 TYR A 111 18.916 -0.641 3.273 1.00 0.70 H new ATOM 0 HB3 TYR A 111 18.122 0.723 2.511 1.00 0.70 H new ATOM 0 HD1 TYR A 111 19.089 -2.840 2.036 1.00 0.94 H new ATOM 0 HD2 TYR A 111 17.025 0.498 0.373 1.00 0.89 H new ATOM 0 HE1 TYR A 111 18.047 -4.312 0.365 1.00 1.18 H new ATOM 0 HE2 TYR A 111 16.003 -0.965 -1.306 1.00 1.12 H new ATOM 0 HH TYR A 111 16.398 -4.460 -1.218 1.00 1.57 H new ATOM 1113 N GLN A 112 20.313 0.417 -0.578 1.00 0.53 N ATOM 1114 CA GLN A 112 20.099 0.934 -1.915 1.00 0.55 C ATOM 1115 C GLN A 112 19.065 0.087 -2.634 1.00 0.45 C ATOM 1116 O GLN A 112 19.084 -1.140 -2.530 1.00 0.47 O ATOM 1117 CB GLN A 112 21.413 0.948 -2.683 1.00 0.70 C ATOM 1118 CG GLN A 112 22.396 1.989 -2.188 1.00 1.30 C ATOM 1119 CD GLN A 112 23.688 1.999 -2.980 1.00 1.42 C ATOM 1120 OE1 GLN A 112 23.710 1.664 -4.164 1.00 1.64 O ATOM 1121 NE2 GLN A 112 24.774 2.390 -2.335 1.00 2.05 N ATOM 0 H GLN A 112 20.766 -0.496 -0.548 1.00 0.53 H new ATOM 0 HA GLN A 112 19.727 1.957 -1.852 1.00 0.55 H new ATOM 0 HB2 GLN A 112 21.875 -0.037 -2.614 1.00 0.70 H new ATOM 0 HB3 GLN A 112 21.205 1.129 -3.738 1.00 0.70 H new ATOM 0 HG2 GLN A 112 21.933 2.974 -2.243 1.00 1.30 H new ATOM 0 HG3 GLN A 112 22.620 1.801 -1.138 1.00 1.30 H new ATOM 0 HE21 GLN A 112 24.715 2.660 -1.353 1.00 2.05 H new ATOM 0 HE22 GLN A 112 25.671 2.422 -2.819 1.00 2.05 H new ATOM 1130 N LEU A 113 18.166 0.754 -3.351 1.00 0.40 N ATOM 1131 CA LEU A 113 17.039 0.104 -4.002 1.00 0.33 C ATOM 1132 C LEU A 113 17.501 -1.027 -4.915 1.00 0.36 C ATOM 1133 O LEU A 113 18.085 -0.790 -5.977 1.00 0.43 O ATOM 1134 CB LEU A 113 16.242 1.144 -4.787 1.00 0.32 C ATOM 1135 CG LEU A 113 15.063 0.600 -5.593 1.00 0.30 C ATOM 1136 CD1 LEU A 113 13.961 0.116 -4.668 1.00 0.25 C ATOM 1137 CD2 LEU A 113 14.536 1.659 -6.541 1.00 0.35 C ATOM 0 H LEU A 113 18.201 1.763 -3.496 1.00 0.40 H new ATOM 0 HA LEU A 113 16.401 -0.340 -3.238 1.00 0.33 H new ATOM 0 HB2 LEU A 113 15.867 1.892 -4.088 1.00 0.32 H new ATOM 0 HB3 LEU A 113 16.920 1.656 -5.469 1.00 0.32 H new ATOM 0 HG LEU A 113 15.411 -0.248 -6.182 1.00 0.30 H new ATOM 0 HD11 LEU A 113 13.131 -0.267 -5.261 1.00 0.25 H new ATOM 0 HD12 LEU A 113 14.346 -0.677 -4.027 1.00 0.25 H new ATOM 0 HD13 LEU A 113 13.614 0.945 -4.051 1.00 0.25 H new ATOM 0 HD21 LEU A 113 13.697 1.255 -7.107 1.00 0.35 H new ATOM 0 HD22 LEU A 113 14.205 2.526 -5.970 1.00 0.35 H new ATOM 0 HD23 LEU A 113 15.327 1.958 -7.228 1.00 0.35 H new ATOM 1149 N LYS A 114 17.234 -2.252 -4.486 1.00 0.40 N ATOM 1150 CA LYS A 114 17.689 -3.436 -5.196 1.00 0.47 C ATOM 1151 C LYS A 114 16.702 -3.815 -6.281 1.00 0.37 C ATOM 1152 O LYS A 114 15.520 -4.018 -6.008 1.00 0.33 O ATOM 1153 CB LYS A 114 17.830 -4.609 -4.230 1.00 0.63 C ATOM 1154 CG LYS A 114 19.080 -5.433 -4.443 1.00 0.90 C ATOM 1155 CD LYS A 114 20.329 -4.575 -4.347 1.00 1.14 C ATOM 1156 CE LYS A 114 21.592 -5.418 -4.345 1.00 1.51 C ATOM 1157 NZ LYS A 114 21.614 -6.396 -3.225 1.00 2.09 N ATOM 0 H LYS A 114 16.699 -2.452 -3.641 1.00 0.40 H new ATOM 0 HA LYS A 114 18.656 -3.210 -5.645 1.00 0.47 H new ATOM 0 HB2 LYS A 114 17.828 -4.228 -3.209 1.00 0.63 H new ATOM 0 HB3 LYS A 114 16.959 -5.256 -4.331 1.00 0.63 H new ATOM 0 HG2 LYS A 114 19.125 -6.229 -3.699 1.00 0.90 H new ATOM 0 HG3 LYS A 114 19.040 -5.913 -5.421 1.00 0.90 H new ATOM 0 HD2 LYS A 114 20.358 -3.879 -5.185 1.00 1.14 H new ATOM 0 HD3 LYS A 114 20.290 -3.976 -3.437 1.00 1.14 H new ATOM 0 HE2 LYS A 114 21.672 -5.951 -5.292 1.00 1.51 H new ATOM 0 HE3 LYS A 114 22.462 -4.765 -4.272 1.00 1.51 H new ATOM 0 HZ1 LYS A 114 22.590 -6.715 -3.062 1.00 2.09 H new ATOM 0 HZ2 LYS A 114 21.249 -5.944 -2.362 1.00 2.09 H new ATOM 0 HZ3 LYS A 114 21.018 -7.214 -3.466 1.00 2.09 H new ATOM 1171 N ASP A 115 17.200 -3.932 -7.505 1.00 0.40 N ATOM 1172 CA ASP A 115 16.379 -4.342 -8.641 1.00 0.41 C ATOM 1173 C ASP A 115 15.763 -5.709 -8.387 1.00 0.38 C ATOM 1174 O ASP A 115 14.687 -6.024 -8.897 1.00 0.42 O ATOM 1175 CB ASP A 115 17.208 -4.402 -9.927 1.00 0.53 C ATOM 1176 CG ASP A 115 17.741 -3.053 -10.362 1.00 1.12 C ATOM 1177 OD1 ASP A 115 17.005 -2.297 -11.030 1.00 1.11 O ATOM 1178 OD2 ASP A 115 18.912 -2.750 -10.056 1.00 1.88 O ATOM 0 H ASP A 115 18.175 -3.748 -7.739 1.00 0.40 H new ATOM 0 HA ASP A 115 15.590 -3.599 -8.760 1.00 0.41 H new ATOM 0 HB2 ASP A 115 18.045 -5.085 -9.780 1.00 0.53 H new ATOM 0 HB3 ASP A 115 16.595 -4.817 -10.727 1.00 0.53 H new ATOM 1183 N SER A 116 16.457 -6.516 -7.595 1.00 0.38 N ATOM 1184 CA SER A 116 16.007 -7.860 -7.280 1.00 0.44 C ATOM 1185 C SER A 116 15.002 -7.855 -6.125 1.00 0.40 C ATOM 1186 O SER A 116 14.183 -8.767 -6.009 1.00 0.51 O ATOM 1187 CB SER A 116 17.210 -8.738 -6.930 1.00 0.54 C ATOM 1188 OG SER A 116 16.866 -10.112 -6.926 1.00 0.92 O ATOM 0 H SER A 116 17.341 -6.257 -7.157 1.00 0.38 H new ATOM 0 HA SER A 116 15.503 -8.266 -8.157 1.00 0.44 H new ATOM 0 HB2 SER A 116 18.010 -8.564 -7.649 1.00 0.54 H new ATOM 0 HB3 SER A 116 17.595 -8.455 -5.950 1.00 0.54 H new ATOM 0 HG SER A 116 17.656 -10.646 -6.700 1.00 0.92 H new ATOM 1194 N ASP A 117 15.044 -6.823 -5.280 1.00 0.28 N ATOM 1195 CA ASP A 117 14.128 -6.755 -4.141 1.00 0.28 C ATOM 1196 C ASP A 117 12.824 -6.096 -4.554 1.00 0.22 C ATOM 1197 O ASP A 117 11.781 -6.301 -3.931 1.00 0.24 O ATOM 1198 CB ASP A 117 14.747 -6.000 -2.961 1.00 0.34 C ATOM 1199 CG ASP A 117 15.815 -6.804 -2.243 1.00 1.08 C ATOM 1200 OD1 ASP A 117 15.847 -8.041 -2.401 1.00 1.90 O ATOM 1201 OD2 ASP A 117 16.632 -6.202 -1.513 1.00 1.04 O ATOM 0 H ASP A 117 15.689 -6.037 -5.360 1.00 0.28 H new ATOM 0 HA ASP A 117 13.929 -7.776 -3.816 1.00 0.28 H new ATOM 0 HB2 ASP A 117 15.181 -5.067 -3.320 1.00 0.34 H new ATOM 0 HB3 ASP A 117 13.962 -5.734 -2.253 1.00 0.34 H new ATOM 1206 N ILE A 118 12.902 -5.302 -5.612 1.00 0.23 N ATOM 1207 CA ILE A 118 11.737 -4.652 -6.190 1.00 0.22 C ATOM 1208 C ILE A 118 10.709 -5.676 -6.645 1.00 0.26 C ATOM 1209 O ILE A 118 10.972 -6.476 -7.546 1.00 0.34 O ATOM 1210 CB ILE A 118 12.141 -3.781 -7.396 1.00 0.26 C ATOM 1211 CG1 ILE A 118 13.028 -2.627 -6.938 1.00 0.26 C ATOM 1212 CG2 ILE A 118 10.907 -3.256 -8.121 1.00 0.31 C ATOM 1213 CD1 ILE A 118 13.805 -1.980 -8.061 1.00 0.32 C ATOM 0 H ILE A 118 13.776 -5.091 -6.094 1.00 0.23 H new ATOM 0 HA ILE A 118 11.298 -4.023 -5.415 1.00 0.22 H new ATOM 0 HB ILE A 118 12.706 -4.398 -8.095 1.00 0.26 H new ATOM 0 HG12 ILE A 118 12.408 -1.872 -6.455 1.00 0.26 H new ATOM 0 HG13 ILE A 118 13.728 -2.993 -6.187 1.00 0.26 H new ATOM 0 HG21 ILE A 118 11.216 -2.644 -8.968 1.00 0.31 H new ATOM 0 HG22 ILE A 118 10.310 -4.095 -8.478 1.00 0.31 H new ATOM 0 HG23 ILE A 118 10.312 -2.653 -7.436 1.00 0.31 H new ATOM 0 HD11 ILE A 118 14.413 -1.168 -7.662 1.00 0.32 H new ATOM 0 HD12 ILE A 118 14.452 -2.721 -8.530 1.00 0.32 H new ATOM 0 HD13 ILE A 118 13.111 -1.583 -8.802 1.00 0.32 H new ATOM 1225 N VAL A 119 9.550 -5.661 -6.011 1.00 0.24 N ATOM 1226 CA VAL A 119 8.455 -6.507 -6.428 1.00 0.31 C ATOM 1227 C VAL A 119 7.588 -5.755 -7.439 1.00 0.27 C ATOM 1228 O VAL A 119 7.195 -6.305 -8.470 1.00 0.31 O ATOM 1229 CB VAL A 119 7.614 -6.975 -5.225 1.00 0.36 C ATOM 1230 CG1 VAL A 119 6.518 -7.903 -5.691 1.00 0.47 C ATOM 1231 CG2 VAL A 119 8.496 -7.658 -4.190 1.00 0.38 C ATOM 0 H VAL A 119 9.346 -5.070 -5.205 1.00 0.24 H new ATOM 0 HA VAL A 119 8.865 -7.400 -6.900 1.00 0.31 H new ATOM 0 HB VAL A 119 7.156 -6.104 -4.756 1.00 0.36 H new ATOM 0 HG11 VAL A 119 5.928 -8.229 -4.834 1.00 0.47 H new ATOM 0 HG12 VAL A 119 5.873 -7.379 -6.397 1.00 0.47 H new ATOM 0 HG13 VAL A 119 6.960 -8.772 -6.179 1.00 0.47 H new ATOM 0 HG21 VAL A 119 7.885 -7.982 -3.348 1.00 0.38 H new ATOM 0 HG22 VAL A 119 8.981 -8.524 -4.640 1.00 0.38 H new ATOM 0 HG23 VAL A 119 9.255 -6.958 -3.840 1.00 0.38 H new ATOM 1241 N ASN A 120 7.309 -4.490 -7.139 1.00 0.25 N ATOM 1242 CA ASN A 120 6.675 -3.584 -8.101 1.00 0.24 C ATOM 1243 C ASN A 120 6.956 -2.134 -7.728 1.00 0.23 C ATOM 1244 O ASN A 120 7.342 -1.837 -6.599 1.00 0.26 O ATOM 1245 CB ASN A 120 5.173 -3.835 -8.233 1.00 0.31 C ATOM 1246 CG ASN A 120 4.396 -3.381 -7.037 1.00 0.54 C ATOM 1247 OD1 ASN A 120 4.153 -4.142 -6.104 1.00 1.17 O ATOM 1248 ND2 ASN A 120 3.993 -2.133 -7.067 1.00 0.36 N ATOM 0 H ASN A 120 7.512 -4.064 -6.234 1.00 0.25 H new ATOM 0 HA ASN A 120 7.113 -3.787 -9.078 1.00 0.24 H new ATOM 0 HB2 ASN A 120 4.801 -3.319 -9.118 1.00 0.31 H new ATOM 0 HB3 ASN A 120 5.001 -4.900 -8.388 1.00 0.31 H new ATOM 0 HD21 ASN A 120 3.451 -1.753 -6.291 1.00 0.36 H new ATOM 0 HD22 ASN A 120 4.222 -1.542 -7.866 1.00 0.36 H new ATOM 1255 N GLU A 121 6.783 -1.237 -8.686 1.00 0.24 N ATOM 1256 CA GLU A 121 7.073 0.177 -8.474 1.00 0.25 C ATOM 1257 C GLU A 121 5.789 0.971 -8.319 1.00 0.25 C ATOM 1258 O GLU A 121 4.776 0.674 -8.955 1.00 0.32 O ATOM 1259 CB GLU A 121 7.903 0.749 -9.634 1.00 0.31 C ATOM 1260 CG GLU A 121 7.967 2.277 -9.658 1.00 0.35 C ATOM 1261 CD GLU A 121 8.474 2.837 -10.970 1.00 0.71 C ATOM 1262 OE1 GLU A 121 8.058 2.341 -12.039 1.00 1.17 O ATOM 1263 OE2 GLU A 121 9.292 3.783 -10.942 1.00 1.24 O ATOM 0 H GLU A 121 6.442 -1.461 -9.621 1.00 0.24 H new ATOM 0 HA GLU A 121 7.654 0.262 -7.556 1.00 0.25 H new ATOM 0 HB2 GLU A 121 8.917 0.354 -9.571 1.00 0.31 H new ATOM 0 HB3 GLU A 121 7.482 0.398 -10.576 1.00 0.31 H new ATOM 0 HG2 GLU A 121 6.973 2.678 -9.460 1.00 0.35 H new ATOM 0 HG3 GLU A 121 8.615 2.619 -8.851 1.00 0.35 H new ATOM 1270 N ILE A 122 5.845 1.969 -7.460 1.00 0.21 N ATOM 1271 CA ILE A 122 4.753 2.897 -7.278 1.00 0.23 C ATOM 1272 C ILE A 122 5.271 4.310 -7.466 1.00 0.26 C ATOM 1273 O ILE A 122 6.426 4.500 -7.843 1.00 0.25 O ATOM 1274 CB ILE A 122 4.071 2.740 -5.911 1.00 0.26 C ATOM 1275 CG1 ILE A 122 5.099 2.823 -4.782 1.00 0.27 C ATOM 1276 CG2 ILE A 122 3.317 1.422 -5.867 1.00 0.27 C ATOM 1277 CD1 ILE A 122 4.532 2.494 -3.420 1.00 0.31 C ATOM 0 H ILE A 122 6.653 2.158 -6.867 1.00 0.21 H new ATOM 0 HA ILE A 122 3.990 2.679 -8.025 1.00 0.23 H new ATOM 0 HB ILE A 122 3.361 3.555 -5.770 1.00 0.26 H new ATOM 0 HG12 ILE A 122 5.920 2.140 -4.999 1.00 0.27 H new ATOM 0 HG13 ILE A 122 5.519 3.829 -4.758 1.00 0.27 H new ATOM 0 HG21 ILE A 122 2.833 1.312 -4.896 1.00 0.27 H new ATOM 0 HG22 ILE A 122 2.561 1.409 -6.652 1.00 0.27 H new ATOM 0 HG23 ILE A 122 4.014 0.599 -6.021 1.00 0.27 H new ATOM 0 HD11 ILE A 122 5.318 2.574 -2.670 1.00 0.31 H new ATOM 0 HD12 ILE A 122 3.730 3.193 -3.181 1.00 0.31 H new ATOM 0 HD13 ILE A 122 4.138 1.478 -3.426 1.00 0.31 H new ATOM 1289 N LYS A 123 4.429 5.293 -7.250 1.00 0.30 N ATOM 1290 CA LYS A 123 4.790 6.659 -7.572 1.00 0.34 C ATOM 1291 C LYS A 123 5.846 7.197 -6.626 1.00 0.36 C ATOM 1292 O LYS A 123 5.610 7.359 -5.429 1.00 0.42 O ATOM 1293 CB LYS A 123 3.562 7.551 -7.564 1.00 0.39 C ATOM 1294 CG LYS A 123 3.688 8.706 -8.523 1.00 0.48 C ATOM 1295 CD LYS A 123 2.423 9.529 -8.583 1.00 0.75 C ATOM 1296 CE LYS A 123 2.516 10.567 -9.681 1.00 1.35 C ATOM 1297 NZ LYS A 123 2.580 9.940 -11.028 1.00 2.15 N ATOM 0 H LYS A 123 3.495 5.177 -6.856 1.00 0.30 H new ATOM 0 HA LYS A 123 5.216 6.659 -8.575 1.00 0.34 H new ATOM 0 HB2 LYS A 123 2.684 6.959 -7.825 1.00 0.39 H new ATOM 0 HB3 LYS A 123 3.401 7.934 -6.556 1.00 0.39 H new ATOM 0 HG2 LYS A 123 4.520 9.341 -8.219 1.00 0.48 H new ATOM 0 HG3 LYS A 123 3.923 8.328 -9.518 1.00 0.48 H new ATOM 0 HD2 LYS A 123 1.567 8.878 -8.762 1.00 0.75 H new ATOM 0 HD3 LYS A 123 2.256 10.020 -7.624 1.00 0.75 H new ATOM 0 HE2 LYS A 123 1.652 11.230 -9.629 1.00 1.35 H new ATOM 0 HE3 LYS A 123 3.401 11.184 -9.524 1.00 1.35 H new ATOM 0 HZ1 LYS A 123 2.322 10.642 -11.750 1.00 2.15 H new ATOM 0 HZ2 LYS A 123 3.546 9.599 -11.207 1.00 2.15 H new ATOM 0 HZ3 LYS A 123 1.917 9.140 -11.070 1.00 2.15 H new ATOM 1311 N GLY A 124 7.017 7.452 -7.188 1.00 0.37 N ATOM 1312 CA GLY A 124 8.132 7.988 -6.435 1.00 0.42 C ATOM 1313 C GLY A 124 8.847 6.933 -5.613 1.00 0.38 C ATOM 1314 O GLY A 124 10.076 6.937 -5.508 1.00 0.42 O ATOM 0 H GLY A 124 7.218 7.293 -8.175 1.00 0.37 H new ATOM 0 HA2 GLY A 124 8.841 8.449 -7.123 1.00 0.42 H new ATOM 0 HA3 GLY A 124 7.772 8.776 -5.773 1.00 0.42 H new ATOM 1318 N GLY A 125 8.080 6.015 -5.056 1.00 0.34 N ATOM 1319 CA GLY A 125 8.636 4.987 -4.211 1.00 0.31 C ATOM 1320 C GLY A 125 8.555 3.617 -4.839 1.00 0.25 C ATOM 1321 O GLY A 125 7.944 3.434 -5.887 1.00 0.29 O ATOM 0 H GLY A 125 7.068 5.964 -5.177 1.00 0.34 H new ATOM 0 HA2 GLY A 125 9.678 5.223 -3.995 1.00 0.31 H new ATOM 0 HA3 GLY A 125 8.107 4.978 -3.258 1.00 0.31 H new ATOM 1325 N TYR A 126 9.184 2.654 -4.205 1.00 0.19 N ATOM 1326 CA TYR A 126 9.132 1.284 -4.657 1.00 0.16 C ATOM 1327 C TYR A 126 8.673 0.394 -3.527 1.00 0.16 C ATOM 1328 O TYR A 126 9.315 0.343 -2.483 1.00 0.17 O ATOM 1329 CB TYR A 126 10.512 0.829 -5.125 1.00 0.15 C ATOM 1330 CG TYR A 126 10.814 1.134 -6.570 1.00 0.18 C ATOM 1331 CD1 TYR A 126 10.972 2.437 -7.017 1.00 0.24 C ATOM 1332 CD2 TYR A 126 10.932 0.106 -7.490 1.00 0.21 C ATOM 1333 CE1 TYR A 126 11.240 2.703 -8.343 1.00 0.29 C ATOM 1334 CE2 TYR A 126 11.205 0.362 -8.817 1.00 0.27 C ATOM 1335 CZ TYR A 126 11.359 1.659 -9.241 1.00 0.30 C ATOM 1336 OH TYR A 126 11.631 1.916 -10.567 1.00 0.38 O ATOM 0 H TYR A 126 9.744 2.798 -3.365 1.00 0.19 H new ATOM 0 HA TYR A 126 8.431 1.216 -5.489 1.00 0.16 H new ATOM 0 HB2 TYR A 126 11.268 1.304 -4.501 1.00 0.15 H new ATOM 0 HB3 TYR A 126 10.599 -0.246 -4.968 1.00 0.15 H new ATOM 0 HD1 TYR A 126 10.884 3.255 -6.317 1.00 0.24 H new ATOM 0 HD2 TYR A 126 10.808 -0.915 -7.162 1.00 0.21 H new ATOM 0 HE1 TYR A 126 11.356 3.723 -8.679 1.00 0.29 H new ATOM 0 HE2 TYR A 126 11.297 -0.453 -9.519 1.00 0.27 H new ATOM 0 HH TYR A 126 11.136 2.711 -10.854 1.00 0.38 H new ATOM 1346 N VAL A 127 7.577 -0.307 -3.721 1.00 0.18 N ATOM 1347 CA VAL A 127 7.171 -1.290 -2.745 1.00 0.20 C ATOM 1348 C VAL A 127 7.982 -2.554 -2.992 1.00 0.17 C ATOM 1349 O VAL A 127 7.848 -3.229 -4.017 1.00 0.20 O ATOM 1350 CB VAL A 127 5.647 -1.554 -2.764 1.00 0.29 C ATOM 1351 CG1 VAL A 127 5.155 -1.836 -4.167 1.00 0.55 C ATOM 1352 CG2 VAL A 127 5.281 -2.689 -1.822 1.00 0.60 C ATOM 0 H VAL A 127 6.962 -0.217 -4.530 1.00 0.18 H new ATOM 0 HA VAL A 127 7.373 -0.913 -1.742 1.00 0.20 H new ATOM 0 HB VAL A 127 5.150 -0.649 -2.414 1.00 0.29 H new ATOM 0 HG11 VAL A 127 4.080 -2.017 -4.146 1.00 0.55 H new ATOM 0 HG12 VAL A 127 5.366 -0.978 -4.806 1.00 0.55 H new ATOM 0 HG13 VAL A 127 5.664 -2.716 -4.561 1.00 0.55 H new ATOM 0 HG21 VAL A 127 4.204 -2.855 -1.853 1.00 0.60 H new ATOM 0 HG22 VAL A 127 5.798 -3.598 -2.130 1.00 0.60 H new ATOM 0 HG23 VAL A 127 5.578 -2.429 -0.806 1.00 0.60 H new ATOM 1362 N ILE A 128 8.856 -2.837 -2.054 1.00 0.14 N ATOM 1363 CA ILE A 128 9.924 -3.784 -2.265 1.00 0.12 C ATOM 1364 C ILE A 128 9.978 -4.810 -1.158 1.00 0.13 C ATOM 1365 O ILE A 128 9.618 -4.526 -0.017 1.00 0.16 O ATOM 1366 CB ILE A 128 11.281 -3.050 -2.334 1.00 0.13 C ATOM 1367 CG1 ILE A 128 11.468 -2.160 -1.097 1.00 0.16 C ATOM 1368 CG2 ILE A 128 11.366 -2.216 -3.603 1.00 0.16 C ATOM 1369 CD1 ILE A 128 12.805 -1.454 -1.041 1.00 0.19 C ATOM 0 H ILE A 128 8.846 -2.417 -1.124 1.00 0.14 H new ATOM 0 HA ILE A 128 9.727 -4.295 -3.208 1.00 0.12 H new ATOM 0 HB ILE A 128 12.079 -3.793 -2.352 1.00 0.13 H new ATOM 0 HG12 ILE A 128 10.674 -1.414 -1.076 1.00 0.16 H new ATOM 0 HG13 ILE A 128 11.354 -2.772 -0.202 1.00 0.16 H new ATOM 0 HG21 ILE A 128 12.328 -1.704 -3.638 1.00 0.16 H new ATOM 0 HG22 ILE A 128 11.269 -2.866 -4.473 1.00 0.16 H new ATOM 0 HG23 ILE A 128 10.563 -1.479 -3.609 1.00 0.16 H new ATOM 0 HD11 ILE A 128 12.858 -0.846 -0.138 1.00 0.19 H new ATOM 0 HD12 ILE A 128 13.606 -2.193 -1.029 1.00 0.19 H new ATOM 0 HD13 ILE A 128 12.915 -0.814 -1.916 1.00 0.19 H new ATOM 1381 N LYS A 129 10.425 -5.999 -1.491 1.00 0.15 N ATOM 1382 CA LYS A 129 10.631 -7.021 -0.490 1.00 0.18 C ATOM 1383 C LYS A 129 12.118 -7.260 -0.317 1.00 0.19 C ATOM 1384 O LYS A 129 12.755 -7.908 -1.147 1.00 0.20 O ATOM 1385 CB LYS A 129 9.928 -8.323 -0.870 1.00 0.22 C ATOM 1386 CG LYS A 129 10.081 -9.403 0.188 1.00 0.28 C ATOM 1387 CD LYS A 129 9.291 -10.652 -0.147 1.00 0.40 C ATOM 1388 CE LYS A 129 9.438 -11.684 0.955 1.00 0.51 C ATOM 1389 NZ LYS A 129 8.676 -12.930 0.675 1.00 0.76 N ATOM 0 H LYS A 129 10.652 -6.282 -2.444 1.00 0.15 H new ATOM 0 HA LYS A 129 10.201 -6.677 0.451 1.00 0.18 H new ATOM 0 HB2 LYS A 129 8.868 -8.125 -1.031 1.00 0.22 H new ATOM 0 HB3 LYS A 129 10.331 -8.686 -1.815 1.00 0.22 H new ATOM 0 HG2 LYS A 129 11.135 -9.660 0.292 1.00 0.28 H new ATOM 0 HG3 LYS A 129 9.751 -9.014 1.151 1.00 0.28 H new ATOM 0 HD2 LYS A 129 8.239 -10.400 -0.279 1.00 0.40 H new ATOM 0 HD3 LYS A 129 9.640 -11.068 -1.092 1.00 0.40 H new ATOM 0 HE2 LYS A 129 10.493 -11.928 1.081 1.00 0.51 H new ATOM 0 HE3 LYS A 129 9.095 -11.256 1.897 1.00 0.51 H new ATOM 0 HZ1 LYS A 129 8.810 -13.602 1.457 1.00 0.76 H new ATOM 0 HZ2 LYS A 129 7.665 -12.705 0.581 1.00 0.76 H new ATOM 0 HZ3 LYS A 129 9.020 -13.356 -0.209 1.00 0.76 H new ATOM 1403 N VAL A 130 12.665 -6.742 0.768 1.00 0.21 N ATOM 1404 CA VAL A 130 14.079 -6.847 1.019 1.00 0.24 C ATOM 1405 C VAL A 130 14.331 -7.589 2.322 1.00 0.29 C ATOM 1406 O VAL A 130 13.639 -7.370 3.322 1.00 0.29 O ATOM 1407 CB VAL A 130 14.769 -5.458 1.038 1.00 0.24 C ATOM 1408 CG1 VAL A 130 13.908 -4.428 0.333 1.00 0.26 C ATOM 1409 CG2 VAL A 130 15.109 -4.988 2.446 1.00 0.26 C ATOM 0 H VAL A 130 12.143 -6.243 1.489 1.00 0.21 H new ATOM 0 HA VAL A 130 14.518 -7.414 0.198 1.00 0.24 H new ATOM 0 HB VAL A 130 15.712 -5.568 0.503 1.00 0.24 H new ATOM 0 HG11 VAL A 130 14.407 -3.459 0.356 1.00 0.26 H new ATOM 0 HG12 VAL A 130 13.752 -4.731 -0.702 1.00 0.26 H new ATOM 0 HG13 VAL A 130 12.945 -4.352 0.838 1.00 0.26 H new ATOM 0 HG21 VAL A 130 15.590 -4.011 2.397 1.00 0.26 H new ATOM 0 HG22 VAL A 130 14.195 -4.914 3.035 1.00 0.26 H new ATOM 0 HG23 VAL A 130 15.786 -5.702 2.915 1.00 0.26 H new ATOM 1419 N ASP A 131 15.281 -8.510 2.278 1.00 0.36 N ATOM 1420 CA ASP A 131 15.741 -9.222 3.464 1.00 0.44 C ATOM 1421 C ASP A 131 14.596 -10.003 4.121 1.00 0.43 C ATOM 1422 O ASP A 131 14.602 -10.264 5.323 1.00 0.50 O ATOM 1423 CB ASP A 131 16.384 -8.227 4.442 1.00 0.48 C ATOM 1424 CG ASP A 131 17.170 -8.905 5.551 1.00 0.59 C ATOM 1425 OD1 ASP A 131 18.187 -9.565 5.245 1.00 0.74 O ATOM 1426 OD2 ASP A 131 16.793 -8.762 6.734 1.00 0.59 O ATOM 0 H ASP A 131 15.756 -8.786 1.419 1.00 0.36 H new ATOM 0 HA ASP A 131 16.493 -9.954 3.170 1.00 0.44 H new ATOM 0 HB2 ASP A 131 17.047 -7.561 3.890 1.00 0.48 H new ATOM 0 HB3 ASP A 131 15.605 -7.606 4.884 1.00 0.48 H new ATOM 1431 N GLY A 132 13.611 -10.378 3.313 1.00 0.39 N ATOM 1432 CA GLY A 132 12.494 -11.161 3.812 1.00 0.40 C ATOM 1433 C GLY A 132 11.350 -10.303 4.314 1.00 0.40 C ATOM 1434 O GLY A 132 10.336 -10.819 4.785 1.00 0.59 O ATOM 0 H GLY A 132 13.565 -10.154 2.319 1.00 0.39 H new ATOM 0 HA2 GLY A 132 12.131 -11.814 3.018 1.00 0.40 H new ATOM 0 HA3 GLY A 132 12.841 -11.805 4.620 1.00 0.40 H new ATOM 1438 N LYS A 133 11.509 -8.994 4.208 1.00 0.30 N ATOM 1439 CA LYS A 133 10.511 -8.053 4.689 1.00 0.29 C ATOM 1440 C LYS A 133 10.083 -7.118 3.581 1.00 0.26 C ATOM 1441 O LYS A 133 10.733 -7.032 2.548 1.00 0.33 O ATOM 1442 CB LYS A 133 11.079 -7.250 5.860 1.00 0.33 C ATOM 1443 CG LYS A 133 11.268 -8.068 7.123 1.00 0.40 C ATOM 1444 CD LYS A 133 12.441 -7.570 7.949 1.00 0.80 C ATOM 1445 CE LYS A 133 13.757 -7.826 7.236 1.00 0.62 C ATOM 1446 NZ LYS A 133 14.921 -7.272 7.975 1.00 1.15 N ATOM 0 H LYS A 133 12.329 -8.556 3.788 1.00 0.30 H new ATOM 0 HA LYS A 133 9.638 -8.612 5.025 1.00 0.29 H new ATOM 0 HB2 LYS A 133 12.038 -6.824 5.566 1.00 0.33 H new ATOM 0 HB3 LYS A 133 10.412 -6.415 6.074 1.00 0.33 H new ATOM 0 HG2 LYS A 133 10.358 -8.027 7.722 1.00 0.40 H new ATOM 0 HG3 LYS A 133 11.428 -9.113 6.858 1.00 0.40 H new ATOM 0 HD2 LYS A 133 12.329 -6.503 8.140 1.00 0.80 H new ATOM 0 HD3 LYS A 133 12.446 -8.069 8.918 1.00 0.80 H new ATOM 0 HE2 LYS A 133 13.892 -8.899 7.104 1.00 0.62 H new ATOM 0 HE3 LYS A 133 13.719 -7.384 6.240 1.00 0.62 H new ATOM 0 HZ1 LYS A 133 15.799 -7.681 7.596 1.00 1.15 H new ATOM 0 HZ2 LYS A 133 14.944 -6.238 7.862 1.00 1.15 H new ATOM 0 HZ3 LYS A 133 14.836 -7.508 8.984 1.00 1.15 H new ATOM 1460 N TYR A 134 8.989 -6.422 3.796 1.00 0.25 N ATOM 1461 CA TYR A 134 8.460 -5.526 2.787 1.00 0.23 C ATOM 1462 C TYR A 134 8.583 -4.080 3.214 1.00 0.22 C ATOM 1463 O TYR A 134 8.322 -3.732 4.366 1.00 0.26 O ATOM 1464 CB TYR A 134 7.008 -5.850 2.506 1.00 0.28 C ATOM 1465 CG TYR A 134 6.759 -6.322 1.101 1.00 0.46 C ATOM 1466 CD1 TYR A 134 6.593 -5.420 0.060 1.00 0.64 C ATOM 1467 CD2 TYR A 134 6.661 -7.668 0.828 1.00 0.63 C ATOM 1468 CE1 TYR A 134 6.332 -5.856 -1.221 1.00 0.88 C ATOM 1469 CE2 TYR A 134 6.392 -8.113 -0.455 1.00 0.86 C ATOM 1470 CZ TYR A 134 6.226 -7.204 -1.469 1.00 0.91 C ATOM 1471 OH TYR A 134 5.935 -7.643 -2.731 1.00 1.22 O ATOM 0 H TYR A 134 8.447 -6.458 4.659 1.00 0.25 H new ATOM 0 HA TYR A 134 9.047 -5.668 1.879 1.00 0.23 H new ATOM 0 HB2 TYR A 134 6.674 -6.618 3.203 1.00 0.28 H new ATOM 0 HB3 TYR A 134 6.403 -4.963 2.695 1.00 0.28 H new ATOM 0 HD1 TYR A 134 6.669 -4.361 0.256 1.00 0.64 H new ATOM 0 HD2 TYR A 134 6.796 -8.385 1.624 1.00 0.63 H new ATOM 0 HE1 TYR A 134 6.212 -5.144 -2.024 1.00 0.88 H new ATOM 0 HE2 TYR A 134 6.313 -9.171 -0.657 1.00 0.86 H new ATOM 0 HH TYR A 134 5.542 -6.910 -3.250 1.00 1.22 H new ATOM 1481 N TYR A 135 8.983 -3.247 2.274 1.00 0.19 N ATOM 1482 CA TYR A 135 9.168 -1.832 2.525 1.00 0.20 C ATOM 1483 C TYR A 135 8.717 -1.038 1.327 1.00 0.19 C ATOM 1484 O TYR A 135 8.432 -1.594 0.271 1.00 0.21 O ATOM 1485 CB TYR A 135 10.643 -1.516 2.781 1.00 0.19 C ATOM 1486 CG TYR A 135 11.293 -2.373 3.820 1.00 0.21 C ATOM 1487 CD1 TYR A 135 11.254 -2.013 5.153 1.00 0.28 C ATOM 1488 CD2 TYR A 135 11.959 -3.534 3.466 1.00 0.22 C ATOM 1489 CE1 TYR A 135 11.860 -2.789 6.109 1.00 0.32 C ATOM 1490 CE2 TYR A 135 12.563 -4.311 4.407 1.00 0.26 C ATOM 1491 CZ TYR A 135 12.517 -3.940 5.733 1.00 0.31 C ATOM 1492 OH TYR A 135 13.133 -4.713 6.685 1.00 0.37 O ATOM 0 H TYR A 135 9.189 -3.531 1.316 1.00 0.19 H new ATOM 0 HA TYR A 135 8.580 -1.566 3.403 1.00 0.20 H new ATOM 0 HB2 TYR A 135 11.192 -1.624 1.845 1.00 0.19 H new ATOM 0 HB3 TYR A 135 10.730 -0.472 3.083 1.00 0.19 H new ATOM 0 HD1 TYR A 135 10.740 -1.110 5.447 1.00 0.28 H new ATOM 0 HD2 TYR A 135 12.000 -3.828 2.428 1.00 0.22 H new ATOM 0 HE1 TYR A 135 11.822 -2.499 7.149 1.00 0.32 H new ATOM 0 HE2 TYR A 135 13.076 -5.215 4.115 1.00 0.26 H new ATOM 0 HH TYR A 135 12.817 -4.450 7.575 1.00 0.37 H new ATOM 1502 N VAL A 136 8.647 0.259 1.502 1.00 0.21 N ATOM 1503 CA VAL A 136 8.427 1.157 0.403 1.00 0.22 C ATOM 1504 C VAL A 136 9.579 2.142 0.324 1.00 0.23 C ATOM 1505 O VAL A 136 9.778 2.977 1.210 1.00 0.31 O ATOM 1506 CB VAL A 136 7.073 1.882 0.522 1.00 0.25 C ATOM 1507 CG1 VAL A 136 6.926 2.943 -0.561 1.00 0.26 C ATOM 1508 CG2 VAL A 136 5.945 0.863 0.429 1.00 0.26 C ATOM 0 H VAL A 136 8.741 0.717 2.408 1.00 0.21 H new ATOM 0 HA VAL A 136 8.388 0.579 -0.521 1.00 0.22 H new ATOM 0 HB VAL A 136 7.026 2.386 1.487 1.00 0.25 H new ATOM 0 HG11 VAL A 136 5.962 3.440 -0.455 1.00 0.26 H new ATOM 0 HG12 VAL A 136 7.726 3.677 -0.462 1.00 0.26 H new ATOM 0 HG13 VAL A 136 6.985 2.472 -1.542 1.00 0.26 H new ATOM 0 HG21 VAL A 136 4.986 1.374 0.513 1.00 0.26 H new ATOM 0 HG22 VAL A 136 5.999 0.347 -0.530 1.00 0.26 H new ATOM 0 HG23 VAL A 136 6.042 0.138 1.237 1.00 0.26 H new ATOM 1518 N TYR A 137 10.352 2.001 -0.733 1.00 0.20 N ATOM 1519 CA TYR A 137 11.523 2.816 -0.962 1.00 0.24 C ATOM 1520 C TYR A 137 11.130 4.151 -1.510 1.00 0.27 C ATOM 1521 O TYR A 137 10.791 4.276 -2.674 1.00 0.46 O ATOM 1522 CB TYR A 137 12.466 2.122 -1.948 1.00 0.35 C ATOM 1523 CG TYR A 137 13.482 3.066 -2.530 1.00 0.50 C ATOM 1524 CD1 TYR A 137 14.444 3.612 -1.724 1.00 0.59 C ATOM 1525 CD2 TYR A 137 13.460 3.429 -3.870 1.00 0.63 C ATOM 1526 CE1 TYR A 137 15.370 4.499 -2.213 1.00 0.76 C ATOM 1527 CE2 TYR A 137 14.387 4.317 -4.378 1.00 0.78 C ATOM 1528 CZ TYR A 137 15.342 4.852 -3.542 1.00 0.77 C ATOM 1529 OH TYR A 137 16.267 5.744 -4.036 1.00 1.01 O ATOM 0 H TYR A 137 10.182 1.310 -1.464 1.00 0.20 H new ATOM 0 HA TYR A 137 12.034 2.956 -0.009 1.00 0.24 H new ATOM 0 HB2 TYR A 137 12.981 1.306 -1.441 1.00 0.35 H new ATOM 0 HB3 TYR A 137 11.882 1.679 -2.754 1.00 0.35 H new ATOM 0 HD1 TYR A 137 14.475 3.339 -0.680 1.00 0.59 H new ATOM 0 HD2 TYR A 137 12.708 3.011 -4.523 1.00 0.63 H new ATOM 0 HE1 TYR A 137 16.118 4.918 -1.557 1.00 0.76 H new ATOM 0 HE2 TYR A 137 14.364 4.590 -5.423 1.00 0.78 H new ATOM 0 HH TYR A 137 16.108 5.884 -4.993 1.00 1.01 H new ATOM 1539 N LEU A 138 11.185 5.146 -0.669 1.00 0.29 N ATOM 1540 CA LEU A 138 10.873 6.471 -1.098 1.00 0.38 C ATOM 1541 C LEU A 138 12.127 7.188 -1.545 1.00 0.44 C ATOM 1542 O LEU A 138 13.141 7.201 -0.844 1.00 0.50 O ATOM 1543 CB LEU A 138 10.196 7.221 0.022 1.00 0.48 C ATOM 1544 CG LEU A 138 9.135 8.202 -0.448 1.00 0.64 C ATOM 1545 CD1 LEU A 138 8.068 7.475 -1.254 1.00 0.72 C ATOM 1546 CD2 LEU A 138 8.518 8.924 0.731 1.00 0.72 C ATOM 0 H LEU A 138 11.443 5.060 0.314 1.00 0.29 H new ATOM 0 HA LEU A 138 10.192 6.422 -1.948 1.00 0.38 H new ATOM 0 HB2 LEU A 138 9.737 6.503 0.702 1.00 0.48 H new ATOM 0 HB3 LEU A 138 10.951 7.763 0.592 1.00 0.48 H new ATOM 0 HG LEU A 138 9.607 8.945 -1.090 1.00 0.64 H new ATOM 0 HD11 LEU A 138 7.313 8.188 -1.585 1.00 0.72 H new ATOM 0 HD12 LEU A 138 8.527 7.003 -2.123 1.00 0.72 H new ATOM 0 HD13 LEU A 138 7.599 6.713 -0.632 1.00 0.72 H new ATOM 0 HD21 LEU A 138 7.761 9.622 0.374 1.00 0.72 H new ATOM 0 HD22 LEU A 138 8.056 8.199 1.401 1.00 0.72 H new ATOM 0 HD23 LEU A 138 9.292 9.472 1.268 1.00 0.72 H new ATOM 1558 N LYS A 139 12.055 7.753 -2.730 1.00 0.46 N ATOM 1559 CA LYS A 139 13.148 8.530 -3.270 1.00 0.54 C ATOM 1560 C LYS A 139 13.152 9.916 -2.632 1.00 0.64 C ATOM 1561 O LYS A 139 14.197 10.557 -2.510 1.00 0.74 O ATOM 1562 CB LYS A 139 13.036 8.643 -4.789 1.00 0.56 C ATOM 1563 CG LYS A 139 13.234 7.343 -5.546 1.00 0.50 C ATOM 1564 CD LYS A 139 13.505 7.625 -7.015 1.00 0.59 C ATOM 1565 CE LYS A 139 13.418 6.372 -7.864 1.00 1.51 C ATOM 1566 NZ LYS A 139 12.025 5.868 -7.967 1.00 2.31 N ATOM 0 H LYS A 139 11.242 7.687 -3.343 1.00 0.46 H new ATOM 0 HA LYS A 139 14.086 8.025 -3.040 1.00 0.54 H new ATOM 0 HB2 LYS A 139 12.053 9.044 -5.037 1.00 0.56 H new ATOM 0 HB3 LYS A 139 13.773 9.366 -5.140 1.00 0.56 H new ATOM 0 HG2 LYS A 139 14.067 6.787 -5.116 1.00 0.50 H new ATOM 0 HG3 LYS A 139 12.347 6.717 -5.446 1.00 0.50 H new ATOM 0 HD2 LYS A 139 12.788 8.360 -7.380 1.00 0.59 H new ATOM 0 HD3 LYS A 139 14.496 8.066 -7.122 1.00 0.59 H new ATOM 0 HE2 LYS A 139 13.803 6.582 -8.862 1.00 1.51 H new ATOM 0 HE3 LYS A 139 14.053 5.598 -7.434 1.00 1.51 H new ATOM 0 HZ1 LYS A 139 11.989 4.880 -7.644 1.00 2.31 H new ATOM 0 HZ2 LYS A 139 11.401 6.450 -7.372 1.00 2.31 H new ATOM 0 HZ3 LYS A 139 11.709 5.921 -8.956 1.00 2.31 H new ATOM 1580 N ASP A 140 11.975 10.364 -2.202 1.00 0.66 N ATOM 1581 CA ASP A 140 11.835 11.656 -1.548 1.00 0.78 C ATOM 1582 C ASP A 140 11.025 11.505 -0.269 1.00 0.77 C ATOM 1583 O ASP A 140 9.806 11.664 -0.268 1.00 0.88 O ATOM 1584 CB ASP A 140 11.166 12.672 -2.476 1.00 1.00 C ATOM 1585 CG ASP A 140 11.055 14.045 -1.840 1.00 1.24 C ATOM 1586 OD1 ASP A 140 12.088 14.723 -1.681 1.00 1.57 O ATOM 1587 OD2 ASP A 140 9.929 14.458 -1.495 1.00 1.58 O ATOM 0 H ASP A 140 11.102 9.846 -2.297 1.00 0.66 H new ATOM 0 HA ASP A 140 12.831 12.025 -1.302 1.00 0.78 H new ATOM 0 HB2 ASP A 140 11.737 12.747 -3.401 1.00 1.00 H new ATOM 0 HB3 ASP A 140 10.171 12.316 -2.744 1.00 1.00 H new ATOM 1592 N ALA A 141 11.713 11.190 0.817 1.00 0.73 N ATOM 1593 CA ALA A 141 11.064 10.974 2.105 1.00 0.79 C ATOM 1594 C ALA A 141 10.727 12.299 2.778 1.00 0.97 C ATOM 1595 O ALA A 141 10.049 12.337 3.806 1.00 1.12 O ATOM 1596 CB ALA A 141 11.954 10.136 3.008 1.00 0.86 C ATOM 0 H ALA A 141 12.727 11.077 0.834 1.00 0.73 H new ATOM 0 HA ALA A 141 10.132 10.437 1.929 1.00 0.79 H new ATOM 0 HB1 ALA A 141 11.458 9.982 3.966 1.00 0.86 H new ATOM 0 HB2 ALA A 141 12.143 9.171 2.538 1.00 0.86 H new ATOM 0 HB3 ALA A 141 12.900 10.653 3.168 1.00 0.86 H new ATOM 1602 N ALA A 142 11.196 13.382 2.181 1.00 1.02 N ATOM 1603 CA ALA A 142 11.071 14.697 2.784 1.00 1.26 C ATOM 1604 C ALA A 142 9.695 15.314 2.559 1.00 1.37 C ATOM 1605 O ALA A 142 9.094 15.849 3.488 1.00 1.60 O ATOM 1606 CB ALA A 142 12.145 15.622 2.237 1.00 1.38 C ATOM 0 H ALA A 142 11.668 13.375 1.277 1.00 1.02 H new ATOM 0 HA ALA A 142 11.199 14.571 3.859 1.00 1.26 H new ATOM 0 HB1 ALA A 142 12.045 16.606 2.694 1.00 1.38 H new ATOM 0 HB2 ALA A 142 13.129 15.214 2.468 1.00 1.38 H new ATOM 0 HB3 ALA A 142 12.033 15.711 1.156 1.00 1.38 H new ATOM 1612 N HIS A 143 9.187 15.237 1.334 1.00 1.30 N ATOM 1613 CA HIS A 143 7.993 16.002 0.976 1.00 1.50 C ATOM 1614 C HIS A 143 6.788 15.101 0.737 1.00 1.25 C ATOM 1615 O HIS A 143 5.753 15.570 0.256 1.00 1.33 O ATOM 1616 CB HIS A 143 8.250 16.835 -0.280 1.00 1.74 C ATOM 1617 CG HIS A 143 9.545 17.585 -0.265 1.00 2.20 C ATOM 1618 ND1 HIS A 143 10.686 17.123 -0.886 1.00 2.83 N ATOM 1619 CD2 HIS A 143 9.880 18.769 0.298 1.00 2.47 C ATOM 1620 CE1 HIS A 143 11.662 17.989 -0.711 1.00 3.41 C ATOM 1621 NE2 HIS A 143 11.201 18.996 0.004 1.00 3.11 N ATOM 0 H HIS A 143 9.573 14.665 0.583 1.00 1.30 H new ATOM 0 HA HIS A 143 7.771 16.656 1.819 1.00 1.50 H new ATOM 0 HB2 HIS A 143 8.235 16.176 -1.148 1.00 1.74 H new ATOM 0 HB3 HIS A 143 7.433 17.546 -0.404 1.00 1.74 H new ATOM 0 HD2 HIS A 143 9.230 19.414 0.871 1.00 2.47 H new ATOM 0 HE1 HIS A 143 12.669 17.891 -1.089 1.00 3.41 H new ATOM 0 HE2 HIS A 143 11.740 19.813 0.292 1.00 3.11 H new ATOM 1630 N ALA A 144 6.929 13.824 1.090 1.00 0.99 N ATOM 1631 CA ALA A 144 5.896 12.814 0.858 1.00 0.77 C ATOM 1632 C ALA A 144 5.686 12.544 -0.617 1.00 0.76 C ATOM 1633 O ALA A 144 5.309 13.420 -1.397 1.00 1.13 O ATOM 1634 CB ALA A 144 4.584 13.199 1.510 1.00 0.88 C ATOM 0 H ALA A 144 7.765 13.459 1.546 1.00 0.99 H new ATOM 0 HA ALA A 144 6.255 11.894 1.320 1.00 0.77 H new ATOM 0 HB1 ALA A 144 3.841 12.426 1.316 1.00 0.88 H new ATOM 0 HB2 ALA A 144 4.729 13.302 2.585 1.00 0.88 H new ATOM 0 HB3 ALA A 144 4.237 14.147 1.098 1.00 0.88 H new ATOM 1640 N ASP A 145 5.931 11.309 -0.984 1.00 0.59 N ATOM 1641 CA ASP A 145 5.728 10.858 -2.339 1.00 0.87 C ATOM 1642 C ASP A 145 4.750 9.696 -2.319 1.00 0.66 C ATOM 1643 O ASP A 145 5.119 8.587 -2.655 1.00 0.75 O ATOM 1644 CB ASP A 145 7.057 10.429 -2.960 1.00 1.23 C ATOM 1645 CG ASP A 145 7.169 10.793 -4.427 1.00 1.79 C ATOM 1646 OD1 ASP A 145 6.133 10.877 -5.117 1.00 1.99 O ATOM 1647 OD2 ASP A 145 8.305 11.000 -4.902 1.00 2.20 O ATOM 0 H ASP A 145 6.277 10.588 -0.351 1.00 0.59 H new ATOM 0 HA ASP A 145 5.322 11.669 -2.944 1.00 0.87 H new ATOM 0 HB2 ASP A 145 7.875 10.896 -2.412 1.00 1.23 H new ATOM 0 HB3 ASP A 145 7.173 9.351 -2.849 1.00 1.23 H new ATOM 1652 N ASN A 146 3.521 9.988 -1.867 1.00 0.48 N ATOM 1653 CA ASN A 146 2.422 9.007 -1.694 1.00 0.32 C ATOM 1654 C ASN A 146 2.539 8.309 -0.344 1.00 0.25 C ATOM 1655 O ASN A 146 1.981 7.250 -0.107 1.00 0.37 O ATOM 1656 CB ASN A 146 2.295 8.003 -2.883 1.00 0.38 C ATOM 1657 CG ASN A 146 2.871 6.593 -2.670 1.00 0.76 C ATOM 1658 OD1 ASN A 146 2.215 5.712 -2.127 1.00 1.69 O ATOM 1659 ND2 ASN A 146 4.073 6.350 -3.151 1.00 0.65 N ATOM 0 H ASN A 146 3.250 10.935 -1.603 1.00 0.48 H new ATOM 0 HA ASN A 146 1.486 9.566 -1.704 1.00 0.32 H new ATOM 0 HB2 ASN A 146 1.238 7.903 -3.131 1.00 0.38 H new ATOM 0 HB3 ASN A 146 2.786 8.442 -3.751 1.00 0.38 H new ATOM 0 HD21 ASN A 146 4.473 5.415 -3.075 1.00 0.65 H new ATOM 0 HD22 ASN A 146 4.603 7.097 -3.600 1.00 0.65 H new ATOM 1666 N ILE A 147 3.203 8.970 0.583 1.00 0.30 N ATOM 1667 CA ILE A 147 3.332 8.441 1.926 1.00 0.34 C ATOM 1668 C ILE A 147 2.477 9.234 2.907 1.00 0.38 C ATOM 1669 O ILE A 147 2.574 10.458 2.988 1.00 0.46 O ATOM 1670 CB ILE A 147 4.801 8.439 2.393 1.00 0.42 C ATOM 1671 CG1 ILE A 147 5.645 7.574 1.456 1.00 0.46 C ATOM 1672 CG2 ILE A 147 4.913 7.946 3.826 1.00 0.49 C ATOM 1673 CD1 ILE A 147 5.165 6.142 1.343 1.00 0.50 C ATOM 0 H ILE A 147 3.659 9.870 0.432 1.00 0.30 H new ATOM 0 HA ILE A 147 2.979 7.410 1.903 1.00 0.34 H new ATOM 0 HB ILE A 147 5.178 9.461 2.362 1.00 0.42 H new ATOM 0 HG12 ILE A 147 5.647 8.026 0.464 1.00 0.46 H new ATOM 0 HG13 ILE A 147 6.677 7.574 1.808 1.00 0.46 H new ATOM 0 HG21 ILE A 147 5.959 7.954 4.133 1.00 0.49 H new ATOM 0 HG22 ILE A 147 4.338 8.600 4.482 1.00 0.49 H new ATOM 0 HG23 ILE A 147 4.523 6.930 3.893 1.00 0.49 H new ATOM 0 HD11 ILE A 147 5.815 5.593 0.661 1.00 0.50 H new ATOM 0 HD12 ILE A 147 5.190 5.671 2.326 1.00 0.50 H new ATOM 0 HD13 ILE A 147 4.144 6.129 0.961 1.00 0.50 H new ATOM 1685 N ARG A 148 1.622 8.524 3.628 1.00 0.36 N ATOM 1686 CA ARG A 148 0.802 9.122 4.672 1.00 0.38 C ATOM 1687 C ARG A 148 1.358 8.754 6.038 1.00 0.36 C ATOM 1688 O ARG A 148 1.506 7.573 6.356 1.00 0.39 O ATOM 1689 CB ARG A 148 -0.647 8.640 4.564 1.00 0.45 C ATOM 1690 CG ARG A 148 -1.339 9.064 3.282 1.00 0.62 C ATOM 1691 CD ARG A 148 -1.351 10.572 3.135 1.00 0.83 C ATOM 1692 NE ARG A 148 -1.868 10.996 1.838 1.00 0.98 N ATOM 1693 CZ ARG A 148 -1.390 12.039 1.165 1.00 1.03 C ATOM 1694 NH1 ARG A 148 -0.438 12.792 1.699 1.00 1.40 N ATOM 1695 NH2 ARG A 148 -1.882 12.349 -0.025 1.00 1.78 N ATOM 0 H ARG A 148 1.477 7.522 3.507 1.00 0.36 H new ATOM 0 HA ARG A 148 0.822 10.205 4.548 1.00 0.38 H new ATOM 0 HB2 ARG A 148 -0.664 7.552 4.633 1.00 0.45 H new ATOM 0 HB3 ARG A 148 -1.212 9.022 5.414 1.00 0.45 H new ATOM 0 HG2 ARG A 148 -0.831 8.617 2.427 1.00 0.62 H new ATOM 0 HG3 ARG A 148 -2.362 8.688 3.277 1.00 0.62 H new ATOM 0 HD2 ARG A 148 -1.960 11.008 3.927 1.00 0.83 H new ATOM 0 HD3 ARG A 148 -0.339 10.956 3.264 1.00 0.83 H new ATOM 0 HE ARG A 148 -2.636 10.465 1.426 1.00 0.98 H new ATOM 0 HH11 ARG A 148 -0.073 12.571 2.625 1.00 1.40 H new ATOM 0 HH12 ARG A 148 -0.071 13.592 1.183 1.00 1.40 H new ATOM 0 HH21 ARG A 148 -2.631 11.787 -0.429 1.00 1.78 H new ATOM 0 HH22 ARG A 148 -1.512 13.150 -0.537 1.00 1.78 H new ATOM 1709 N THR A 149 1.682 9.760 6.828 1.00 0.33 N ATOM 1710 CA THR A 149 2.122 9.544 8.194 1.00 0.31 C ATOM 1711 C THR A 149 0.983 9.013 9.034 1.00 0.28 C ATOM 1712 O THR A 149 -0.171 9.212 8.694 1.00 0.29 O ATOM 1713 CB THR A 149 2.632 10.849 8.824 1.00 0.34 C ATOM 1714 OG1 THR A 149 1.703 11.911 8.579 1.00 0.37 O ATOM 1715 CG2 THR A 149 3.989 11.212 8.254 1.00 0.40 C ATOM 0 H THR A 149 1.649 10.740 6.546 1.00 0.33 H new ATOM 0 HA THR A 149 2.935 8.818 8.166 1.00 0.31 H new ATOM 0 HB THR A 149 2.728 10.701 9.900 1.00 0.34 H new ATOM 0 HG1 THR A 149 1.527 12.391 9.415 1.00 0.37 H new ATOM 0 HG21 THR A 149 4.339 12.139 8.709 1.00 0.40 H new ATOM 0 HG22 THR A 149 4.699 10.413 8.467 1.00 0.40 H new ATOM 0 HG23 THR A 149 3.907 11.346 7.175 1.00 0.40 H new ATOM 1723 N LYS A 150 1.304 8.361 10.136 1.00 0.31 N ATOM 1724 CA LYS A 150 0.283 7.851 11.039 1.00 0.34 C ATOM 1725 C LYS A 150 -0.601 8.973 11.553 1.00 0.31 C ATOM 1726 O LYS A 150 -1.741 8.747 11.963 1.00 0.39 O ATOM 1727 CB LYS A 150 0.925 7.103 12.184 1.00 0.41 C ATOM 1728 CG LYS A 150 1.319 5.712 11.780 1.00 0.63 C ATOM 1729 CD LYS A 150 1.769 4.887 12.959 1.00 1.48 C ATOM 1730 CE LYS A 150 0.748 4.878 14.085 1.00 2.24 C ATOM 1731 NZ LYS A 150 1.161 3.972 15.188 1.00 3.02 N ATOM 0 H LYS A 150 2.262 8.171 10.429 1.00 0.31 H new ATOM 0 HA LYS A 150 -0.351 7.159 10.485 1.00 0.34 H new ATOM 0 HB2 LYS A 150 1.805 7.647 12.527 1.00 0.41 H new ATOM 0 HB3 LYS A 150 0.232 7.057 13.024 1.00 0.41 H new ATOM 0 HG2 LYS A 150 0.474 5.222 11.296 1.00 0.63 H new ATOM 0 HG3 LYS A 150 2.122 5.762 11.045 1.00 0.63 H new ATOM 0 HD2 LYS A 150 1.955 3.864 12.633 1.00 1.48 H new ATOM 0 HD3 LYS A 150 2.715 5.279 13.333 1.00 1.48 H new ATOM 0 HE2 LYS A 150 0.622 5.889 14.471 1.00 2.24 H new ATOM 0 HE3 LYS A 150 -0.220 4.562 13.697 1.00 2.24 H new ATOM 0 HZ1 LYS A 150 0.442 3.990 15.939 1.00 3.02 H new ATOM 0 HZ2 LYS A 150 1.257 3.003 14.824 1.00 3.02 H new ATOM 0 HZ3 LYS A 150 2.073 4.289 15.574 1.00 3.02 H new ATOM 1745 N GLU A 151 -0.078 10.188 11.515 1.00 0.29 N ATOM 1746 CA GLU A 151 -0.855 11.347 11.884 1.00 0.34 C ATOM 1747 C GLU A 151 -1.728 11.798 10.724 1.00 0.36 C ATOM 1748 O GLU A 151 -2.891 12.154 10.916 1.00 0.48 O ATOM 1749 CB GLU A 151 0.050 12.488 12.350 1.00 0.44 C ATOM 1750 CG GLU A 151 0.795 12.185 13.634 1.00 0.56 C ATOM 1751 CD GLU A 151 1.626 13.355 14.115 1.00 1.01 C ATOM 1752 OE1 GLU A 151 1.041 14.338 14.617 1.00 1.19 O ATOM 1753 OE2 GLU A 151 2.868 13.297 13.995 1.00 1.36 O ATOM 0 H GLU A 151 0.881 10.391 11.232 1.00 0.29 H new ATOM 0 HA GLU A 151 -1.502 11.068 12.715 1.00 0.34 H new ATOM 0 HB2 GLU A 151 0.772 12.712 11.565 1.00 0.44 H new ATOM 0 HB3 GLU A 151 -0.554 13.384 12.493 1.00 0.44 H new ATOM 0 HG2 GLU A 151 0.079 11.910 14.409 1.00 0.56 H new ATOM 0 HG3 GLU A 151 1.444 11.323 13.479 1.00 0.56 H new ATOM 1760 N GLU A 152 -1.174 11.759 9.519 1.00 0.34 N ATOM 1761 CA GLU A 152 -1.914 12.161 8.334 1.00 0.40 C ATOM 1762 C GLU A 152 -2.944 11.116 7.965 1.00 0.40 C ATOM 1763 O GLU A 152 -4.028 11.452 7.521 1.00 0.50 O ATOM 1764 CB GLU A 152 -0.982 12.386 7.150 1.00 0.44 C ATOM 1765 CG GLU A 152 -1.677 13.001 5.949 1.00 0.54 C ATOM 1766 CD GLU A 152 -0.715 13.674 4.994 1.00 0.67 C ATOM 1767 OE1 GLU A 152 0.108 12.962 4.382 1.00 0.83 O ATOM 1768 OE2 GLU A 152 -0.771 14.914 4.851 1.00 0.76 O ATOM 0 H GLU A 152 -0.218 11.454 9.339 1.00 0.34 H new ATOM 0 HA GLU A 152 -2.417 13.099 8.570 1.00 0.40 H new ATOM 0 HB2 GLU A 152 -0.163 13.035 7.459 1.00 0.44 H new ATOM 0 HB3 GLU A 152 -0.541 11.433 6.857 1.00 0.44 H new ATOM 0 HG2 GLU A 152 -2.227 12.225 5.416 1.00 0.54 H new ATOM 0 HG3 GLU A 152 -2.410 13.731 6.294 1.00 0.54 H new ATOM 1775 N ILE A 153 -2.597 9.853 8.153 1.00 0.34 N ATOM 1776 CA ILE A 153 -3.481 8.754 7.803 1.00 0.35 C ATOM 1777 C ILE A 153 -4.866 8.948 8.409 1.00 0.39 C ATOM 1778 O ILE A 153 -5.877 8.812 7.720 1.00 0.43 O ATOM 1779 CB ILE A 153 -2.922 7.383 8.252 1.00 0.35 C ATOM 1780 CG1 ILE A 153 -1.672 7.023 7.452 1.00 0.39 C ATOM 1781 CG2 ILE A 153 -3.975 6.291 8.100 1.00 0.43 C ATOM 1782 CD1 ILE A 153 -1.056 5.699 7.849 1.00 0.47 C ATOM 0 H ILE A 153 -1.703 9.563 8.549 1.00 0.34 H new ATOM 0 HA ILE A 153 -3.552 8.757 6.715 1.00 0.35 H new ATOM 0 HB ILE A 153 -2.653 7.459 9.306 1.00 0.35 H new ATOM 0 HG12 ILE A 153 -1.926 6.992 6.392 1.00 0.39 H new ATOM 0 HG13 ILE A 153 -0.930 7.811 7.579 1.00 0.39 H new ATOM 0 HG21 ILE A 153 -3.558 5.337 8.422 1.00 0.43 H new ATOM 0 HG22 ILE A 153 -4.842 6.534 8.714 1.00 0.43 H new ATOM 0 HG23 ILE A 153 -4.278 6.221 7.055 1.00 0.43 H new ATOM 0 HD11 ILE A 153 -0.173 5.511 7.238 1.00 0.47 H new ATOM 0 HD12 ILE A 153 -0.770 5.731 8.900 1.00 0.47 H new ATOM 0 HD13 ILE A 153 -1.781 4.900 7.695 1.00 0.47 H new ATOM 1794 N LYS A 154 -4.912 9.286 9.693 1.00 0.42 N ATOM 1795 CA LYS A 154 -6.192 9.488 10.358 1.00 0.50 C ATOM 1796 C LYS A 154 -6.868 10.765 9.850 1.00 0.56 C ATOM 1797 O LYS A 154 -8.092 10.848 9.790 1.00 0.64 O ATOM 1798 CB LYS A 154 -6.013 9.536 11.880 1.00 0.57 C ATOM 1799 CG LYS A 154 -7.326 9.531 12.649 1.00 1.42 C ATOM 1800 CD LYS A 154 -7.101 9.503 14.154 1.00 1.77 C ATOM 1801 CE LYS A 154 -6.391 10.757 14.639 1.00 2.57 C ATOM 1802 NZ LYS A 154 -6.200 10.754 16.112 1.00 3.43 N ATOM 0 H LYS A 154 -4.093 9.424 10.285 1.00 0.42 H new ATOM 0 HA LYS A 154 -6.837 8.642 10.120 1.00 0.50 H new ATOM 0 HB2 LYS A 154 -5.415 8.681 12.194 1.00 0.57 H new ATOM 0 HB3 LYS A 154 -5.451 10.432 12.143 1.00 0.57 H new ATOM 0 HG2 LYS A 154 -7.905 10.416 12.385 1.00 1.42 H new ATOM 0 HG3 LYS A 154 -7.917 8.664 12.354 1.00 1.42 H new ATOM 0 HD2 LYS A 154 -8.060 9.407 14.664 1.00 1.77 H new ATOM 0 HD3 LYS A 154 -6.511 8.625 14.418 1.00 1.77 H new ATOM 0 HE2 LYS A 154 -5.421 10.837 14.148 1.00 2.57 H new ATOM 0 HE3 LYS A 154 -6.968 11.635 14.350 1.00 2.57 H new ATOM 0 HZ1 LYS A 154 -5.713 11.626 16.401 1.00 3.43 H new ATOM 0 HZ2 LYS A 154 -7.126 10.703 16.582 1.00 3.43 H new ATOM 0 HZ3 LYS A 154 -5.627 9.930 16.386 1.00 3.43 H new ATOM 1816 N ARG A 155 -6.062 11.751 9.469 1.00 0.54 N ATOM 1817 CA ARG A 155 -6.579 12.978 8.863 1.00 0.63 C ATOM 1818 C ARG A 155 -7.185 12.678 7.500 1.00 0.66 C ATOM 1819 O ARG A 155 -8.231 13.209 7.128 1.00 0.80 O ATOM 1820 CB ARG A 155 -5.466 14.000 8.696 1.00 0.65 C ATOM 1821 CG ARG A 155 -4.870 14.477 10.006 1.00 1.21 C ATOM 1822 CD ARG A 155 -3.735 15.448 9.762 1.00 1.31 C ATOM 1823 NE ARG A 155 -3.105 15.891 11.005 1.00 2.28 N ATOM 1824 CZ ARG A 155 -1.849 16.331 11.089 1.00 2.71 C ATOM 1825 NH1 ARG A 155 -1.092 16.407 10.002 1.00 2.34 N ATOM 1826 NH2 ARG A 155 -1.356 16.705 12.264 1.00 3.70 N ATOM 0 H ARG A 155 -5.047 11.726 9.568 1.00 0.54 H new ATOM 0 HA ARG A 155 -7.346 13.384 9.523 1.00 0.63 H new ATOM 0 HB2 ARG A 155 -4.675 13.565 8.085 1.00 0.65 H new ATOM 0 HB3 ARG A 155 -5.854 14.860 8.150 1.00 0.65 H new ATOM 0 HG2 ARG A 155 -5.642 14.957 10.608 1.00 1.21 H new ATOM 0 HG3 ARG A 155 -4.506 13.623 10.577 1.00 1.21 H new ATOM 0 HD2 ARG A 155 -2.986 14.975 9.126 1.00 1.31 H new ATOM 0 HD3 ARG A 155 -4.112 16.315 9.220 1.00 1.31 H new ATOM 0 HE ARG A 155 -3.660 15.862 11.860 1.00 2.28 H new ATOM 0 HH11 ARG A 155 -1.470 16.128 9.097 1.00 2.34 H new ATOM 0 HH12 ARG A 155 -0.132 16.744 10.072 1.00 2.34 H new ATOM 0 HH21 ARG A 155 -1.938 16.655 13.100 1.00 3.70 H new ATOM 0 HH22 ARG A 155 -0.395 17.042 12.330 1.00 3.70 H new ATOM 1840 N GLN A 156 -6.500 11.816 6.767 1.00 0.58 N ATOM 1841 CA GLN A 156 -6.905 11.424 5.433 1.00 0.70 C ATOM 1842 C GLN A 156 -8.162 10.564 5.481 1.00 0.67 C ATOM 1843 O GLN A 156 -9.033 10.675 4.622 1.00 0.80 O ATOM 1844 CB GLN A 156 -5.760 10.675 4.754 1.00 0.77 C ATOM 1845 CG GLN A 156 -4.534 11.551 4.543 1.00 0.85 C ATOM 1846 CD GLN A 156 -4.669 12.497 3.363 1.00 1.05 C ATOM 1847 OE1 GLN A 156 -5.417 12.093 2.349 1.00 1.88 O flip ATOM 1848 NE2 GLN A 156 -4.098 13.585 3.363 1.00 0.92 N flip ATOM 0 H GLN A 156 -5.641 11.367 7.086 1.00 0.58 H new ATOM 0 HA GLN A 156 -7.138 12.318 4.854 1.00 0.70 H new ATOM 0 HB2 GLN A 156 -5.485 9.811 5.360 1.00 0.77 H new ATOM 0 HB3 GLN A 156 -6.100 10.294 3.791 1.00 0.77 H new ATOM 0 HG2 GLN A 156 -4.351 12.132 5.447 1.00 0.85 H new ATOM 0 HG3 GLN A 156 -3.662 10.914 4.392 1.00 0.85 H new ATOM 0 HE21 GLN A 156 -3.529 13.863 4.163 1.00 0.92 H new ATOM 0 HE22 GLN A 156 -4.193 14.211 2.563 1.00 0.92 H new ATOM 1857 N LYS A 157 -8.263 9.720 6.501 1.00 0.55 N ATOM 1858 CA LYS A 157 -9.410 8.833 6.636 1.00 0.54 C ATOM 1859 C LYS A 157 -10.640 9.594 7.144 1.00 0.62 C ATOM 1860 O LYS A 157 -11.763 9.317 6.730 1.00 0.67 O ATOM 1861 CB LYS A 157 -9.080 7.647 7.551 1.00 0.50 C ATOM 1862 CG LYS A 157 -9.103 7.967 9.030 1.00 0.81 C ATOM 1863 CD LYS A 157 -8.953 6.709 9.871 1.00 1.02 C ATOM 1864 CE LYS A 157 -7.732 5.908 9.455 1.00 0.68 C ATOM 1865 NZ LYS A 157 -7.545 4.696 10.294 1.00 0.90 N ATOM 0 H LYS A 157 -7.568 9.632 7.243 1.00 0.55 H new ATOM 0 HA LYS A 157 -9.647 8.440 5.647 1.00 0.54 H new ATOM 0 HB2 LYS A 157 -9.792 6.845 7.355 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -8.092 7.268 7.290 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -8.298 8.663 9.266 1.00 0.81 H new ATOM 0 HG3 LYS A 157 -10.039 8.466 9.282 1.00 0.81 H new ATOM 0 HD2 LYS A 157 -8.871 6.981 10.923 1.00 1.02 H new ATOM 0 HD3 LYS A 157 -9.846 6.093 9.770 1.00 1.02 H new ATOM 0 HE2 LYS A 157 -7.831 5.613 8.410 1.00 0.68 H new ATOM 0 HE3 LYS A 157 -6.845 6.537 9.526 1.00 0.68 H new ATOM 0 HZ1 LYS A 157 -6.700 4.180 9.975 1.00 0.90 H new ATOM 0 HZ2 LYS A 157 -7.424 4.977 11.288 1.00 0.90 H new ATOM 0 HZ3 LYS A 157 -8.380 4.082 10.207 1.00 0.90 H new ATOM 1879 N GLN A 158 -10.428 10.558 8.032 1.00 0.74 N ATOM 1880 CA GLN A 158 -11.518 11.328 8.590 1.00 0.91 C ATOM 1881 C GLN A 158 -11.543 12.736 8.004 1.00 1.15 C ATOM 1882 O GLN A 158 -11.957 12.889 6.837 1.00 1.78 O ATOM 1883 CB GLN A 158 -11.367 11.385 10.104 1.00 1.18 C ATOM 1884 CG GLN A 158 -11.237 10.014 10.742 1.00 1.48 C ATOM 1885 CD GLN A 158 -11.107 10.070 12.249 1.00 1.88 C ATOM 1886 OE1 GLN A 158 -10.590 11.041 12.806 1.00 2.12 O ATOM 1887 NE2 GLN A 158 -11.557 9.022 12.919 1.00 2.52 N ATOM 0 H GLN A 158 -9.505 10.821 8.378 1.00 0.74 H new ATOM 0 HA GLN A 158 -12.462 10.845 8.337 1.00 0.91 H new ATOM 0 HB2 GLN A 158 -10.488 11.980 10.353 1.00 1.18 H new ATOM 0 HB3 GLN A 158 -12.230 11.897 10.530 1.00 1.18 H new ATOM 0 HG2 GLN A 158 -12.109 9.414 10.481 1.00 1.48 H new ATOM 0 HG3 GLN A 158 -10.366 9.508 10.327 1.00 1.48 H new ATOM 0 HE21 GLN A 158 -11.978 8.239 12.419 1.00 2.52 H new ATOM 0 HE22 GLN A 158 -11.483 8.997 13.936 1.00 2.52 H new ATOM 1896 N GLU A 159 -11.164 13.692 8.715 1.00 1.48 N TER 1897 GLU A 159 HETATM 1898 ZN ZN A1159 -12.725 -0.273 1.352 1.00 0.33 ZN