USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 960 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 SER OG : rot 180:sc= 0.0062 USER MOD Set 1.2: A 37 GLN : amide:sc= -0.143 K(o=-0.14,f=-4.4!) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0874 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 64:sc= 1.14 USER MOD Single : A 5 SER OG : rot 25:sc= 0.0014 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0865) USER MOD Single : A 10 HIS : no HE2:sc= 0.00066 K(o=0.00066,f=-2.2!) USER MOD Single : A 11 SER OG : rot 39:sc= 0.157 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0134 K(o=-0.013,f=-1.3) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 42 MET CE :methyl 139:sc= -0.15 (180deg=-3.1!) USER MOD Single : A 43 CYS SG : rot -170:sc= -1.51 USER MOD Single : A 44 SER OG : rot 26:sc= -0.91 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= -0.064 (180deg=-0.417) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.853 X(o=-0.85,f=-0.37) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot -174:sc= -2.15 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 130:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0787 X(o=-0.079,f=-0.13) USER MOD Single : A 80 ASN : amide:sc= -0.843 K(o=-0.84,f=-4.6!) USER MOD Single : A 83 LYS NZ :NH3+ -171:sc=-0.000428 (180deg=-0.087) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 84:sc= -0.256 USER MOD Single : A 96 GLN : amide:sc=-0.00955 X(o=-0.0096,f=0) USER MOD Single : A 103 GLN : amide:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 105 MET CE :methyl 177:sc= 0 (180deg=-0.00761) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.0412 USER MOD Single : A 109 THR OG1 : rot 161:sc= -0.0696 USER MOD Single : A 111 GLN : amide:sc= -3.3! C(o=-3.3!,f=-3.9!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc= -0.0435 X(o=-0.043,f=-0.0073) USER MOD Single : A 114 LYS NZ :NH3+ -137:sc= -0.305 (180deg=-2.08!) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc=-0.00288 X(o=-0.0029,f=-0.25) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.583 -12.887 -0.280 1.00 0.00 N ATOM 2 CA GLY A 1 -21.444 -12.555 -1.116 1.00 0.00 C ATOM 3 C GLY A 1 -20.242 -13.434 -0.833 1.00 0.00 C ATOM 4 O GLY A 1 -20.321 -14.368 -0.034 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.413 -13.068 -0.880 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.367 -13.737 0.279 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.786 -12.094 0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.725 -12.655 -2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.173 -11.511 -0.957 1.00 0.00 H new ATOM 8 N SER A 2 -19.125 -13.137 -1.490 1.00 0.00 N ATOM 9 CA SER A 2 -17.903 -13.911 -1.309 1.00 0.00 C ATOM 10 C SER A 2 -16.864 -13.111 -0.529 1.00 0.00 C ATOM 11 O SER A 2 -16.704 -11.909 -0.739 1.00 0.00 O ATOM 12 CB SER A 2 -17.330 -14.325 -2.666 1.00 0.00 C ATOM 13 OG SER A 2 -16.396 -15.381 -2.525 1.00 0.00 O ATOM 0 H SER A 2 -19.041 -12.366 -2.152 1.00 0.00 H new ATOM 0 HA SER A 2 -18.151 -14.806 -0.739 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.139 -14.637 -3.326 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.847 -13.469 -3.137 1.00 0.00 H new ATOM 0 HG SER A 2 -16.046 -15.628 -3.406 1.00 0.00 H new ATOM 19 N SER A 3 -16.161 -13.789 0.373 1.00 0.00 N ATOM 20 CA SER A 3 -15.139 -13.142 1.189 1.00 0.00 C ATOM 21 C SER A 3 -15.567 -11.729 1.576 1.00 0.00 C ATOM 22 O SER A 3 -14.776 -10.789 1.511 1.00 0.00 O ATOM 23 CB SER A 3 -13.809 -13.095 0.435 1.00 0.00 C ATOM 24 OG SER A 3 -13.767 -11.996 -0.459 1.00 0.00 O ATOM 0 H SER A 3 -16.280 -14.785 0.557 1.00 0.00 H new ATOM 0 HA SER A 3 -15.012 -13.727 2.100 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.987 -13.020 1.147 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.668 -14.023 -0.118 1.00 0.00 H new ATOM 0 HG SER A 3 -13.816 -11.159 0.049 1.00 0.00 H new ATOM 30 N GLY A 4 -16.827 -11.589 1.978 1.00 0.00 N ATOM 31 CA GLY A 4 -17.340 -10.289 2.370 1.00 0.00 C ATOM 32 C GLY A 4 -16.811 -9.839 3.717 1.00 0.00 C ATOM 33 O GLY A 4 -16.915 -10.564 4.706 1.00 0.00 O ATOM 0 H GLY A 4 -17.501 -12.352 2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.071 -9.552 1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.429 -10.327 2.405 1.00 0.00 H new ATOM 37 N SER A 5 -16.241 -8.639 3.757 1.00 0.00 N ATOM 38 CA SER A 5 -15.688 -8.095 4.992 1.00 0.00 C ATOM 39 C SER A 5 -15.950 -6.595 5.090 1.00 0.00 C ATOM 40 O SER A 5 -15.893 -5.877 4.092 1.00 0.00 O ATOM 41 CB SER A 5 -14.185 -8.368 5.067 1.00 0.00 C ATOM 42 OG SER A 5 -13.925 -9.639 5.636 1.00 0.00 O ATOM 0 H SER A 5 -16.150 -8.025 2.948 1.00 0.00 H new ATOM 0 HA SER A 5 -16.181 -8.588 5.830 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.753 -8.318 4.067 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.701 -7.594 5.662 1.00 0.00 H new ATOM 0 HG SER A 5 -14.701 -10.222 5.502 1.00 0.00 H new ATOM 48 N SER A 6 -16.239 -6.129 6.301 1.00 0.00 N ATOM 49 CA SER A 6 -16.514 -4.716 6.531 1.00 0.00 C ATOM 50 C SER A 6 -15.220 -3.940 6.754 1.00 0.00 C ATOM 51 O SER A 6 -14.815 -3.700 7.891 1.00 0.00 O ATOM 52 CB SER A 6 -17.439 -4.544 7.738 1.00 0.00 C ATOM 53 OG SER A 6 -17.657 -3.173 8.022 1.00 0.00 O ATOM 0 H SER A 6 -16.289 -6.710 7.138 1.00 0.00 H new ATOM 0 HA SER A 6 -17.008 -4.319 5.644 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.393 -5.034 7.542 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.002 -5.034 8.608 1.00 0.00 H new ATOM 0 HG SER A 6 -18.252 -3.090 8.796 1.00 0.00 H new ATOM 59 N GLY A 7 -14.574 -3.550 5.659 1.00 0.00 N ATOM 60 CA GLY A 7 -13.332 -2.806 5.755 1.00 0.00 C ATOM 61 C GLY A 7 -13.235 -1.704 4.719 1.00 0.00 C ATOM 62 O GLY A 7 -13.587 -0.556 4.989 1.00 0.00 O ATOM 0 H GLY A 7 -14.889 -3.736 4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.248 -2.372 6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.492 -3.490 5.633 1.00 0.00 H new ATOM 66 N MET A 8 -12.755 -2.053 3.530 1.00 0.00 N ATOM 67 CA MET A 8 -12.612 -1.084 2.449 1.00 0.00 C ATOM 68 C MET A 8 -12.187 0.276 2.992 1.00 0.00 C ATOM 69 O MET A 8 -12.514 1.315 2.418 1.00 0.00 O ATOM 70 CB MET A 8 -13.926 -0.951 1.678 1.00 0.00 C ATOM 71 CG MET A 8 -14.044 -1.913 0.507 1.00 0.00 C ATOM 72 SD MET A 8 -15.706 -1.957 -0.191 1.00 0.00 S ATOM 73 CE MET A 8 -15.680 -0.489 -1.217 1.00 0.00 C ATOM 0 H MET A 8 -12.459 -2.999 3.290 1.00 0.00 H new ATOM 0 HA MET A 8 -11.837 -1.443 1.772 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.758 -1.120 2.362 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.020 0.070 1.309 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.336 -1.623 -0.269 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.765 -2.914 0.835 1.00 0.00 H new ATOM 0 HE1 MET A 8 -16.642 -0.378 -1.718 1.00 0.00 H new ATOM 0 HE2 MET A 8 -15.491 0.386 -0.595 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.891 -0.581 -1.963 1.00 0.00 H new ATOM 83 N LYS A 9 -11.456 0.264 4.102 1.00 0.00 N ATOM 84 CA LYS A 9 -10.985 1.496 4.722 1.00 0.00 C ATOM 85 C LYS A 9 -10.569 2.514 3.664 1.00 0.00 C ATOM 86 O LYS A 9 -11.153 3.593 3.564 1.00 0.00 O ATOM 87 CB LYS A 9 -9.807 1.204 5.655 1.00 0.00 C ATOM 88 CG LYS A 9 -10.215 0.552 6.964 1.00 0.00 C ATOM 89 CD LYS A 9 -10.612 1.588 8.003 1.00 0.00 C ATOM 90 CE LYS A 9 -11.185 0.935 9.251 1.00 0.00 C ATOM 91 NZ LYS A 9 -12.535 0.357 9.006 1.00 0.00 N ATOM 0 H LYS A 9 -11.177 -0.587 4.591 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.805 1.917 5.303 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.099 0.554 5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.285 2.136 5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.049 -0.127 6.789 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.389 -0.049 7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.742 2.187 8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.349 2.269 7.576 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.510 0.150 9.592 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.246 1.673 10.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.961 0.074 9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.139 1.068 8.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.449 -0.476 8.389 1.00 0.00 H new ATOM 105 N HIS A 10 -9.558 2.162 2.876 1.00 0.00 N ATOM 106 CA HIS A 10 -9.066 3.044 1.824 1.00 0.00 C ATOM 107 C HIS A 10 -9.377 2.471 0.445 1.00 0.00 C ATOM 108 O HIS A 10 -9.749 1.305 0.316 1.00 0.00 O ATOM 109 CB HIS A 10 -7.559 3.259 1.972 1.00 0.00 C ATOM 110 CG HIS A 10 -7.203 4.431 2.834 1.00 0.00 C ATOM 111 ND1 HIS A 10 -6.312 5.408 2.444 1.00 0.00 N ATOM 112 CD2 HIS A 10 -7.624 4.780 4.072 1.00 0.00 C ATOM 113 CE1 HIS A 10 -6.199 6.307 3.405 1.00 0.00 C ATOM 114 NE2 HIS A 10 -6.985 5.949 4.404 1.00 0.00 N ATOM 0 H HIS A 10 -9.064 1.273 2.946 1.00 0.00 H new ATOM 0 HA HIS A 10 -9.573 4.004 1.922 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.112 2.359 2.394 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.121 3.399 0.984 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -5.817 5.433 1.552 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.331 4.240 4.684 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.571 7.185 3.378 1.00 0.00 H new ATOM 123 N SER A 11 -9.224 3.299 -0.583 1.00 0.00 N ATOM 124 CA SER A 11 -9.493 2.877 -1.952 1.00 0.00 C ATOM 125 C SER A 11 -9.121 3.975 -2.943 1.00 0.00 C ATOM 126 O SER A 11 -9.562 5.117 -2.817 1.00 0.00 O ATOM 127 CB SER A 11 -10.969 2.507 -2.114 1.00 0.00 C ATOM 128 OG SER A 11 -11.809 3.571 -1.701 1.00 0.00 O ATOM 0 H SER A 11 -8.915 4.267 -0.493 1.00 0.00 H new ATOM 0 HA SER A 11 -8.881 2.000 -2.162 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.173 2.261 -3.156 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.190 1.616 -1.527 1.00 0.00 H new ATOM 0 HG SER A 11 -11.419 4.424 -1.984 1.00 0.00 H new ATOM 134 N GLY A 12 -8.305 3.621 -3.932 1.00 0.00 N ATOM 135 CA GLY A 12 -7.886 4.587 -4.930 1.00 0.00 C ATOM 136 C GLY A 12 -6.708 4.099 -5.751 1.00 0.00 C ATOM 137 O GLY A 12 -5.953 3.232 -5.311 1.00 0.00 O ATOM 0 H GLY A 12 -7.927 2.682 -4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.722 4.805 -5.594 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.619 5.522 -4.437 1.00 0.00 H new ATOM 141 N TYR A 13 -6.552 4.655 -6.947 1.00 0.00 N ATOM 142 CA TYR A 13 -5.460 4.269 -7.832 1.00 0.00 C ATOM 143 C TYR A 13 -4.107 4.568 -7.193 1.00 0.00 C ATOM 144 O TYR A 13 -3.887 5.655 -6.658 1.00 0.00 O ATOM 145 CB TYR A 13 -5.577 5.001 -9.170 1.00 0.00 C ATOM 146 CG TYR A 13 -6.704 4.494 -10.042 1.00 0.00 C ATOM 147 CD1 TYR A 13 -8.022 4.844 -9.778 1.00 0.00 C ATOM 148 CD2 TYR A 13 -6.450 3.665 -11.127 1.00 0.00 C ATOM 149 CE1 TYR A 13 -9.055 4.382 -10.571 1.00 0.00 C ATOM 150 CE2 TYR A 13 -7.476 3.200 -11.926 1.00 0.00 C ATOM 151 CZ TYR A 13 -8.777 3.561 -11.644 1.00 0.00 C ATOM 152 OH TYR A 13 -9.803 3.099 -12.437 1.00 0.00 O ATOM 0 H TYR A 13 -7.168 5.374 -7.326 1.00 0.00 H new ATOM 0 HA TYR A 13 -5.530 3.195 -8.005 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.725 6.064 -8.981 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.637 4.902 -9.712 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.243 5.488 -8.939 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.433 3.379 -11.350 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -10.075 4.662 -10.352 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.261 2.557 -12.767 1.00 0.00 H new ATOM 0 HH TYR A 13 -9.437 2.534 -13.149 1.00 0.00 H new ATOM 162 N LEU A 14 -3.205 3.595 -7.252 1.00 0.00 N ATOM 163 CA LEU A 14 -1.872 3.752 -6.679 1.00 0.00 C ATOM 164 C LEU A 14 -0.852 2.904 -7.432 1.00 0.00 C ATOM 165 O LEU A 14 -1.215 1.976 -8.156 1.00 0.00 O ATOM 166 CB LEU A 14 -1.882 3.364 -5.200 1.00 0.00 C ATOM 167 CG LEU A 14 -2.767 4.215 -4.289 1.00 0.00 C ATOM 168 CD1 LEU A 14 -2.937 3.547 -2.933 1.00 0.00 C ATOM 169 CD2 LEU A 14 -2.182 5.610 -4.128 1.00 0.00 C ATOM 0 H LEU A 14 -3.372 2.689 -7.690 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.585 4.800 -6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.204 2.326 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.859 3.410 -4.826 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.750 4.306 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.570 4.168 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.402 2.570 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.961 3.424 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.825 6.201 -3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.187 5.539 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.114 6.091 -5.104 1.00 0.00 H new ATOM 181 N TRP A 15 0.424 3.227 -7.256 1.00 0.00 N ATOM 182 CA TRP A 15 1.496 2.493 -7.917 1.00 0.00 C ATOM 183 C TRP A 15 2.282 1.656 -6.914 1.00 0.00 C ATOM 184 O TRP A 15 2.913 2.192 -6.004 1.00 0.00 O ATOM 185 CB TRP A 15 2.435 3.461 -8.639 1.00 0.00 C ATOM 186 CG TRP A 15 1.715 4.558 -9.363 1.00 0.00 C ATOM 187 CD1 TRP A 15 0.866 5.479 -8.819 1.00 0.00 C ATOM 188 CD2 TRP A 15 1.779 4.847 -10.764 1.00 0.00 C ATOM 189 NE1 TRP A 15 0.399 6.323 -9.798 1.00 0.00 N ATOM 190 CE2 TRP A 15 0.945 5.957 -10.999 1.00 0.00 C ATOM 191 CE3 TRP A 15 2.462 4.277 -11.842 1.00 0.00 C ATOM 192 CZ2 TRP A 15 0.776 6.505 -12.268 1.00 0.00 C ATOM 193 CZ3 TRP A 15 2.293 4.822 -13.101 1.00 0.00 C ATOM 194 CH2 TRP A 15 1.456 5.927 -13.305 1.00 0.00 C ATOM 0 H TRP A 15 0.741 3.992 -6.661 1.00 0.00 H new ATOM 0 HA TRP A 15 1.046 1.822 -8.648 1.00 0.00 H new ATOM 0 HB2 TRP A 15 3.119 3.902 -7.913 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.043 2.903 -9.351 1.00 0.00 H new ATOM 0 HD1 TRP A 15 0.601 5.536 -7.774 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -0.249 7.097 -9.653 1.00 0.00 H new ATOM 0 HE3 TRP A 15 3.110 3.426 -11.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.131 7.356 -12.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.815 4.389 -13.942 1.00 0.00 H new ATOM 0 HH2 TRP A 15 1.345 6.331 -14.301 1.00 0.00 H new ATOM 205 N ALA A 16 2.241 0.339 -7.087 1.00 0.00 N ATOM 206 CA ALA A 16 2.951 -0.572 -6.198 1.00 0.00 C ATOM 207 C ALA A 16 3.703 -1.637 -6.989 1.00 0.00 C ATOM 208 O ALA A 16 3.339 -1.954 -8.122 1.00 0.00 O ATOM 209 CB ALA A 16 1.981 -1.222 -5.223 1.00 0.00 C ATOM 0 H ALA A 16 1.723 -0.121 -7.836 1.00 0.00 H new ATOM 0 HA ALA A 16 3.682 0.007 -5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.525 -1.900 -4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.494 -0.451 -4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.228 -1.782 -5.778 1.00 0.00 H new ATOM 215 N ILE A 17 4.753 -2.184 -6.386 1.00 0.00 N ATOM 216 CA ILE A 17 5.555 -3.214 -7.034 1.00 0.00 C ATOM 217 C ILE A 17 6.169 -4.160 -6.008 1.00 0.00 C ATOM 218 O ILE A 17 6.788 -3.724 -5.039 1.00 0.00 O ATOM 219 CB ILE A 17 6.680 -2.598 -7.886 1.00 0.00 C ATOM 220 CG1 ILE A 17 7.579 -3.697 -8.456 1.00 0.00 C ATOM 221 CG2 ILE A 17 7.494 -1.616 -7.058 1.00 0.00 C ATOM 222 CD1 ILE A 17 8.587 -3.192 -9.464 1.00 0.00 C ATOM 0 H ILE A 17 5.068 -1.931 -5.449 1.00 0.00 H new ATOM 0 HA ILE A 17 4.883 -3.774 -7.684 1.00 0.00 H new ATOM 0 HB ILE A 17 6.230 -2.056 -8.718 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.109 -4.183 -7.637 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.956 -4.457 -8.927 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.285 -1.189 -7.674 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.845 -0.818 -6.697 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.936 -2.136 -6.208 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.189 -4.026 -9.825 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.064 -2.732 -10.302 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.235 -2.454 -8.992 1.00 0.00 H new ATOM 234 N GLY A 18 5.996 -5.459 -6.230 1.00 0.00 N ATOM 235 CA GLY A 18 6.541 -6.447 -5.318 1.00 0.00 C ATOM 236 C GLY A 18 7.361 -7.504 -6.030 1.00 0.00 C ATOM 237 O GLY A 18 7.637 -7.388 -7.224 1.00 0.00 O ATOM 0 H GLY A 18 5.488 -5.845 -7.026 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.164 -5.947 -4.576 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.725 -6.927 -4.778 1.00 0.00 H new ATOM 241 N LYS A 19 7.755 -8.540 -5.296 1.00 0.00 N ATOM 242 CA LYS A 19 8.549 -9.623 -5.863 1.00 0.00 C ATOM 243 C LYS A 19 7.652 -10.684 -6.491 1.00 0.00 C ATOM 244 O LYS A 19 7.945 -11.199 -7.570 1.00 0.00 O ATOM 245 CB LYS A 19 9.429 -10.257 -4.784 1.00 0.00 C ATOM 246 CG LYS A 19 10.710 -9.487 -4.513 1.00 0.00 C ATOM 247 CD LYS A 19 11.674 -10.292 -3.658 1.00 0.00 C ATOM 248 CE LYS A 19 12.380 -11.365 -4.473 1.00 0.00 C ATOM 249 NZ LYS A 19 12.771 -12.532 -3.634 1.00 0.00 N ATOM 0 H LYS A 19 7.537 -8.652 -4.306 1.00 0.00 H new ATOM 0 HA LYS A 19 9.186 -9.204 -6.642 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.858 -10.332 -3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.683 -11.273 -5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.188 -9.230 -5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.473 -8.549 -4.011 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.413 -9.625 -3.215 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.131 -10.757 -2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.725 -11.699 -5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.268 -10.940 -4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.249 -13.241 -4.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.416 -12.218 -2.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.921 -12.953 -3.208 1.00 0.00 H new ATOM 263 N ASN A 20 6.557 -11.006 -5.810 1.00 0.00 N ATOM 264 CA ASN A 20 5.616 -12.006 -6.303 1.00 0.00 C ATOM 265 C ASN A 20 4.438 -11.343 -7.010 1.00 0.00 C ATOM 266 O ASN A 20 3.953 -11.837 -8.028 1.00 0.00 O ATOM 267 CB ASN A 20 5.110 -12.873 -5.148 1.00 0.00 C ATOM 268 CG ASN A 20 6.136 -13.896 -4.701 1.00 0.00 C ATOM 269 OD1 ASN A 20 6.236 -14.982 -5.273 1.00 0.00 O ATOM 270 ND2 ASN A 20 6.903 -13.555 -3.672 1.00 0.00 N ATOM 0 H ASN A 20 6.299 -10.589 -4.915 1.00 0.00 H new ATOM 0 HA ASN A 20 6.139 -12.638 -7.021 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.847 -12.234 -4.305 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.199 -13.386 -5.455 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.610 -14.204 -3.326 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.786 -12.644 -3.228 1.00 0.00 H new ATOM 277 N VAL A 21 3.983 -10.220 -6.463 1.00 0.00 N ATOM 278 CA VAL A 21 2.863 -9.487 -7.042 1.00 0.00 C ATOM 279 C VAL A 21 3.309 -8.127 -7.567 1.00 0.00 C ATOM 280 O VAL A 21 4.338 -7.597 -7.151 1.00 0.00 O ATOM 281 CB VAL A 21 1.734 -9.284 -6.014 1.00 0.00 C ATOM 282 CG1 VAL A 21 1.301 -10.618 -5.425 1.00 0.00 C ATOM 283 CG2 VAL A 21 2.179 -8.327 -4.918 1.00 0.00 C ATOM 0 H VAL A 21 4.373 -9.798 -5.620 1.00 0.00 H new ATOM 0 HA VAL A 21 2.486 -10.087 -7.870 1.00 0.00 H new ATOM 0 HB VAL A 21 0.877 -8.844 -6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.503 -10.454 -4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.940 -11.268 -6.222 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.150 -11.089 -4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.370 -8.195 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.052 -8.737 -4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.435 -7.363 -5.358 1.00 0.00 H new ATOM 293 N TRP A 22 2.527 -7.568 -8.483 1.00 0.00 N ATOM 294 CA TRP A 22 2.841 -6.268 -9.066 1.00 0.00 C ATOM 295 C TRP A 22 4.306 -6.198 -9.483 1.00 0.00 C ATOM 296 O TRP A 22 4.931 -5.140 -9.415 1.00 0.00 O ATOM 297 CB TRP A 22 2.527 -5.151 -8.070 1.00 0.00 C ATOM 298 CG TRP A 22 1.135 -5.221 -7.517 1.00 0.00 C ATOM 299 CD1 TRP A 22 -0.031 -5.201 -8.229 1.00 0.00 C ATOM 300 CD2 TRP A 22 0.765 -5.320 -6.138 1.00 0.00 C ATOM 301 NE1 TRP A 22 -1.104 -5.282 -7.374 1.00 0.00 N ATOM 302 CE2 TRP A 22 -0.643 -5.356 -6.086 1.00 0.00 C ATOM 303 CE3 TRP A 22 1.484 -5.383 -4.942 1.00 0.00 C ATOM 304 CZ2 TRP A 22 -1.341 -5.452 -4.886 1.00 0.00 C ATOM 305 CZ3 TRP A 22 0.790 -5.477 -3.751 1.00 0.00 C ATOM 306 CH2 TRP A 22 -0.611 -5.512 -3.730 1.00 0.00 C ATOM 0 H TRP A 22 1.671 -7.994 -8.838 1.00 0.00 H new ATOM 0 HA TRP A 22 2.224 -6.137 -9.955 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.240 -5.197 -7.247 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.668 -4.187 -8.560 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -0.099 -5.132 -9.305 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -2.085 -5.286 -7.653 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.564 -5.359 -4.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -2.421 -5.478 -4.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.336 -5.524 -2.821 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -1.125 -5.588 -2.783 1.00 0.00 H new ATOM 317 N LYS A 23 4.849 -7.332 -9.914 1.00 0.00 N ATOM 318 CA LYS A 23 6.240 -7.399 -10.343 1.00 0.00 C ATOM 319 C LYS A 23 6.629 -6.149 -11.126 1.00 0.00 C ATOM 320 O LYS A 23 7.790 -5.739 -11.122 1.00 0.00 O ATOM 321 CB LYS A 23 6.470 -8.644 -11.203 1.00 0.00 C ATOM 322 CG LYS A 23 6.236 -9.948 -10.460 1.00 0.00 C ATOM 323 CD LYS A 23 6.400 -11.149 -11.376 1.00 0.00 C ATOM 324 CE LYS A 23 6.162 -12.454 -10.632 1.00 0.00 C ATOM 325 NZ LYS A 23 6.315 -13.637 -11.523 1.00 0.00 N ATOM 0 H LYS A 23 4.346 -8.217 -9.975 1.00 0.00 H new ATOM 0 HA LYS A 23 6.866 -7.458 -9.453 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.808 -8.605 -12.068 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.492 -8.630 -11.582 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.937 -10.025 -9.629 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.233 -9.949 -10.033 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.701 -11.071 -12.209 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.404 -11.149 -11.801 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.864 -12.532 -9.802 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.160 -12.450 -10.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.145 -14.506 -10.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.628 -13.576 -12.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.279 -13.656 -11.913 1.00 0.00 H new ATOM 339 N ARG A 24 5.651 -5.548 -11.796 1.00 0.00 N ATOM 340 CA ARG A 24 5.892 -4.344 -12.583 1.00 0.00 C ATOM 341 C ARG A 24 5.364 -3.108 -11.861 1.00 0.00 C ATOM 342 O ARG A 24 4.565 -3.215 -10.931 1.00 0.00 O ATOM 343 CB ARG A 24 5.231 -4.467 -13.957 1.00 0.00 C ATOM 344 CG ARG A 24 3.754 -4.107 -13.957 1.00 0.00 C ATOM 345 CD ARG A 24 2.916 -5.192 -13.299 1.00 0.00 C ATOM 346 NE ARG A 24 3.264 -6.523 -13.786 1.00 0.00 N ATOM 347 CZ ARG A 24 2.882 -7.647 -13.191 1.00 0.00 C ATOM 348 NH1 ARG A 24 2.142 -7.600 -12.091 1.00 0.00 N ATOM 349 NH2 ARG A 24 3.239 -8.822 -13.695 1.00 0.00 N ATOM 0 H ARG A 24 4.685 -5.875 -11.810 1.00 0.00 H new ATOM 0 HA ARG A 24 6.969 -4.235 -12.714 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.754 -3.820 -14.662 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.347 -5.489 -14.316 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.608 -3.164 -13.430 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.415 -3.956 -14.982 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.056 -5.153 -12.219 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.860 -5.001 -13.490 1.00 0.00 H new ATOM 0 HE ARG A 24 3.832 -6.594 -14.630 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.865 -6.699 -11.701 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.850 -8.465 -11.636 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.808 -8.863 -14.541 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.945 -9.684 -13.237 1.00 0.00 H new ATOM 363 N TRP A 25 5.816 -1.938 -12.296 1.00 0.00 N ATOM 364 CA TRP A 25 5.390 -0.681 -11.691 1.00 0.00 C ATOM 365 C TRP A 25 4.378 0.035 -12.579 1.00 0.00 C ATOM 366 O TRP A 25 4.744 0.663 -13.573 1.00 0.00 O ATOM 367 CB TRP A 25 6.597 0.224 -11.440 1.00 0.00 C ATOM 368 CG TRP A 25 6.231 1.555 -10.857 1.00 0.00 C ATOM 369 CD1 TRP A 25 6.035 2.722 -11.539 1.00 0.00 C ATOM 370 CD2 TRP A 25 6.020 1.856 -9.474 1.00 0.00 C ATOM 371 NE1 TRP A 25 5.714 3.730 -10.663 1.00 0.00 N ATOM 372 CE2 TRP A 25 5.697 3.225 -9.390 1.00 0.00 C ATOM 373 CE3 TRP A 25 6.069 1.103 -8.298 1.00 0.00 C ATOM 374 CZ2 TRP A 25 5.428 3.853 -8.177 1.00 0.00 C ATOM 375 CZ3 TRP A 25 5.801 1.728 -7.095 1.00 0.00 C ATOM 376 CH2 TRP A 25 5.483 3.091 -7.041 1.00 0.00 C ATOM 0 H TRP A 25 6.477 -1.833 -13.065 1.00 0.00 H new ATOM 0 HA TRP A 25 4.912 -0.909 -10.738 1.00 0.00 H new ATOM 0 HB2 TRP A 25 7.288 -0.282 -10.766 1.00 0.00 H new ATOM 0 HB3 TRP A 25 7.126 0.380 -12.380 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.120 2.835 -12.610 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.520 4.698 -10.919 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.312 0.051 -8.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 5.185 4.904 -8.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 5.837 1.155 -6.180 1.00 0.00 H new ATOM 0 HH2 TRP A 25 5.277 3.550 -6.085 1.00 0.00 H new ATOM 387 N LYS A 26 3.104 -0.061 -12.214 1.00 0.00 N ATOM 388 CA LYS A 26 2.039 0.579 -12.977 1.00 0.00 C ATOM 389 C LYS A 26 0.913 1.039 -12.058 1.00 0.00 C ATOM 390 O LYS A 26 0.749 0.522 -10.952 1.00 0.00 O ATOM 391 CB LYS A 26 1.490 -0.384 -14.032 1.00 0.00 C ATOM 392 CG LYS A 26 0.410 0.226 -14.909 1.00 0.00 C ATOM 393 CD LYS A 26 0.193 -0.588 -16.174 1.00 0.00 C ATOM 394 CE LYS A 26 1.311 -0.364 -17.180 1.00 0.00 C ATOM 395 NZ LYS A 26 1.413 -1.485 -18.155 1.00 0.00 N ATOM 0 H LYS A 26 2.784 -0.576 -11.394 1.00 0.00 H new ATOM 0 HA LYS A 26 2.458 1.453 -13.475 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.311 -0.724 -14.664 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.086 -1.265 -13.533 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.523 0.286 -14.349 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.689 1.246 -15.175 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.136 -1.647 -15.921 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.762 -0.316 -16.623 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.136 0.569 -17.716 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.258 -0.255 -16.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.187 -1.294 -18.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.606 -2.371 -17.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.518 -1.573 -18.677 1.00 0.00 H new ATOM 409 N LYS A 27 0.137 2.012 -12.522 1.00 0.00 N ATOM 410 CA LYS A 27 -0.977 2.541 -11.743 1.00 0.00 C ATOM 411 C LYS A 27 -2.162 1.580 -11.766 1.00 0.00 C ATOM 412 O LYS A 27 -2.773 1.359 -12.811 1.00 0.00 O ATOM 413 CB LYS A 27 -1.404 3.906 -12.286 1.00 0.00 C ATOM 414 CG LYS A 27 -2.513 4.562 -11.482 1.00 0.00 C ATOM 415 CD LYS A 27 -2.612 6.049 -11.777 1.00 0.00 C ATOM 416 CE LYS A 27 -3.064 6.305 -13.206 1.00 0.00 C ATOM 417 NZ LYS A 27 -4.548 6.379 -13.313 1.00 0.00 N ATOM 0 H LYS A 27 0.259 2.451 -13.435 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.644 2.655 -10.711 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.538 4.568 -12.302 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.735 3.789 -13.318 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.464 4.081 -11.712 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.329 4.413 -10.418 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.314 6.513 -11.084 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.643 6.519 -11.611 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.627 7.237 -13.564 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.692 5.510 -13.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.816 6.555 -14.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.964 5.480 -12.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.901 7.154 -12.716 1.00 0.00 H new ATOM 431 N ARG A 28 -2.480 1.013 -10.607 1.00 0.00 N ATOM 432 CA ARG A 28 -3.592 0.077 -10.495 1.00 0.00 C ATOM 433 C ARG A 28 -4.491 0.438 -9.316 1.00 0.00 C ATOM 434 O ARG A 28 -4.127 1.258 -8.473 1.00 0.00 O ATOM 435 CB ARG A 28 -3.069 -1.352 -10.332 1.00 0.00 C ATOM 436 CG ARG A 28 -4.044 -2.416 -10.810 1.00 0.00 C ATOM 437 CD ARG A 28 -3.409 -3.797 -10.801 1.00 0.00 C ATOM 438 NE ARG A 28 -2.300 -3.896 -11.747 1.00 0.00 N ATOM 439 CZ ARG A 28 -1.048 -3.571 -11.447 1.00 0.00 C ATOM 440 NH1 ARG A 28 -0.746 -3.128 -10.234 1.00 0.00 N ATOM 441 NH2 ARG A 28 -0.094 -3.688 -12.362 1.00 0.00 N ATOM 0 H ARG A 28 -1.984 1.185 -9.733 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.180 0.140 -11.411 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.135 -1.453 -10.884 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.839 -1.528 -9.281 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.927 -2.416 -10.170 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.381 -2.176 -11.818 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.050 -4.025 -9.797 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.163 -4.544 -11.047 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.498 -4.233 -12.689 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.477 -3.036 -9.528 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.217 -2.879 -10.007 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.322 -4.028 -13.296 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.868 -3.438 -12.131 1.00 0.00 H new ATOM 455 N PHE A 29 -5.667 -0.179 -9.264 1.00 0.00 N ATOM 456 CA PHE A 29 -6.618 0.078 -8.190 1.00 0.00 C ATOM 457 C PHE A 29 -6.276 -0.745 -6.951 1.00 0.00 C ATOM 458 O PHE A 29 -6.318 -1.975 -6.978 1.00 0.00 O ATOM 459 CB PHE A 29 -8.041 -0.243 -8.652 1.00 0.00 C ATOM 460 CG PHE A 29 -9.105 0.351 -7.774 1.00 0.00 C ATOM 461 CD1 PHE A 29 -9.167 1.719 -7.565 1.00 0.00 C ATOM 462 CD2 PHE A 29 -10.043 -0.460 -7.156 1.00 0.00 C ATOM 463 CE1 PHE A 29 -10.145 2.268 -6.758 1.00 0.00 C ATOM 464 CE2 PHE A 29 -11.024 0.083 -6.348 1.00 0.00 C ATOM 465 CZ PHE A 29 -11.074 1.449 -6.147 1.00 0.00 C ATOM 0 H PHE A 29 -5.984 -0.861 -9.954 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.557 1.135 -7.931 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.175 0.123 -9.670 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.169 -1.325 -8.683 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.442 2.364 -8.039 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -10.007 -1.529 -7.307 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -10.183 3.336 -6.605 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.751 -0.560 -5.874 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.838 1.875 -5.514 1.00 0.00 H new ATOM 475 N PHE A 30 -5.936 -0.056 -5.866 1.00 0.00 N ATOM 476 CA PHE A 30 -5.585 -0.722 -4.617 1.00 0.00 C ATOM 477 C PHE A 30 -6.633 -0.451 -3.542 1.00 0.00 C ATOM 478 O PHE A 30 -7.091 0.680 -3.378 1.00 0.00 O ATOM 479 CB PHE A 30 -4.210 -0.255 -4.135 1.00 0.00 C ATOM 480 CG PHE A 30 -3.068 -0.864 -4.897 1.00 0.00 C ATOM 481 CD1 PHE A 30 -2.761 -0.428 -6.176 1.00 0.00 C ATOM 482 CD2 PHE A 30 -2.303 -1.873 -4.335 1.00 0.00 C ATOM 483 CE1 PHE A 30 -1.711 -0.988 -6.879 1.00 0.00 C ATOM 484 CE2 PHE A 30 -1.251 -2.436 -5.034 1.00 0.00 C ATOM 485 CZ PHE A 30 -0.955 -1.992 -6.307 1.00 0.00 C ATOM 0 H PHE A 30 -5.896 0.962 -5.827 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.552 -1.795 -4.803 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.154 0.830 -4.219 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.102 -0.499 -3.078 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.348 0.358 -6.628 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.531 -2.224 -3.339 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.482 -0.640 -7.876 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.662 -3.222 -4.585 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.133 -2.429 -6.855 1.00 0.00 H new ATOM 495 N VAL A 31 -7.009 -1.496 -2.813 1.00 0.00 N ATOM 496 CA VAL A 31 -8.003 -1.372 -1.753 1.00 0.00 C ATOM 497 C VAL A 31 -7.551 -2.093 -0.488 1.00 0.00 C ATOM 498 O VAL A 31 -7.152 -3.258 -0.533 1.00 0.00 O ATOM 499 CB VAL A 31 -9.367 -1.937 -2.193 1.00 0.00 C ATOM 500 CG1 VAL A 31 -10.363 -1.881 -1.046 1.00 0.00 C ATOM 501 CG2 VAL A 31 -9.891 -1.179 -3.404 1.00 0.00 C ATOM 0 H VAL A 31 -6.640 -2.439 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.110 -0.308 -1.543 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.235 -2.981 -2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.321 -2.284 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.989 -2.472 -0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.495 -0.847 -0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.855 -1.591 -3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.009 -0.125 -3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.185 -1.277 -4.228 1.00 0.00 H new ATOM 511 N LEU A 32 -7.616 -1.394 0.639 1.00 0.00 N ATOM 512 CA LEU A 32 -7.214 -1.968 1.919 1.00 0.00 C ATOM 513 C LEU A 32 -8.356 -2.763 2.542 1.00 0.00 C ATOM 514 O LEU A 32 -9.294 -2.192 3.099 1.00 0.00 O ATOM 515 CB LEU A 32 -6.764 -0.863 2.877 1.00 0.00 C ATOM 516 CG LEU A 32 -6.367 -1.314 4.283 1.00 0.00 C ATOM 517 CD1 LEU A 32 -5.036 -2.049 4.251 1.00 0.00 C ATOM 518 CD2 LEU A 32 -6.297 -0.122 5.226 1.00 0.00 C ATOM 0 H LEU A 32 -7.943 -0.429 0.693 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.380 -2.646 1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.915 -0.346 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.571 -0.135 2.965 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.129 -2.000 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.769 -2.363 5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.120 -2.926 3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.264 -1.386 3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.013 -0.462 6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.556 0.588 4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.272 0.363 5.272 1.00 0.00 H new ATOM 530 N VAL A 33 -8.270 -4.087 2.448 1.00 0.00 N ATOM 531 CA VAL A 33 -9.294 -4.961 3.005 1.00 0.00 C ATOM 532 C VAL A 33 -8.906 -5.444 4.398 1.00 0.00 C ATOM 533 O VAL A 33 -7.761 -5.825 4.636 1.00 0.00 O ATOM 534 CB VAL A 33 -9.542 -6.183 2.101 1.00 0.00 C ATOM 535 CG1 VAL A 33 -10.727 -6.991 2.607 1.00 0.00 C ATOM 536 CG2 VAL A 33 -9.760 -5.744 0.661 1.00 0.00 C ATOM 0 H VAL A 33 -7.501 -4.577 1.991 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.210 -4.374 3.069 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.659 -6.822 2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.886 -7.850 1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.525 -7.337 3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.620 -6.366 2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.934 -6.620 0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.626 -5.084 0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.877 -5.213 0.305 1.00 0.00 H new ATOM 546 N GLN A 34 -9.869 -5.425 5.315 1.00 0.00 N ATOM 547 CA GLN A 34 -9.627 -5.861 6.685 1.00 0.00 C ATOM 548 C GLN A 34 -9.898 -7.354 6.837 1.00 0.00 C ATOM 549 O GLN A 34 -11.049 -7.778 6.944 1.00 0.00 O ATOM 550 CB GLN A 34 -10.504 -5.069 7.656 1.00 0.00 C ATOM 551 CG GLN A 34 -10.368 -5.517 9.103 1.00 0.00 C ATOM 552 CD GLN A 34 -11.485 -4.994 9.984 1.00 0.00 C ATOM 553 OE1 GLN A 34 -12.405 -4.328 9.509 1.00 0.00 O ATOM 554 NE2 GLN A 34 -11.410 -5.293 11.275 1.00 0.00 N ATOM 0 H GLN A 34 -10.823 -5.113 5.134 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.579 -5.676 6.919 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.246 -4.012 7.586 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.546 -5.164 7.351 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.359 -6.606 9.143 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.410 -5.176 9.496 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.629 -5.848 11.625 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.133 -4.968 11.917 1.00 0.00 H new ATOM 563 N VAL A 35 -8.831 -8.146 6.846 1.00 0.00 N ATOM 564 CA VAL A 35 -8.954 -9.592 6.986 1.00 0.00 C ATOM 565 C VAL A 35 -9.335 -9.976 8.411 1.00 0.00 C ATOM 566 O VAL A 35 -10.394 -10.558 8.647 1.00 0.00 O ATOM 567 CB VAL A 35 -7.643 -10.306 6.607 1.00 0.00 C ATOM 568 CG1 VAL A 35 -7.895 -11.784 6.347 1.00 0.00 C ATOM 569 CG2 VAL A 35 -7.009 -9.644 5.393 1.00 0.00 C ATOM 0 H VAL A 35 -7.872 -7.811 6.758 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.743 -9.910 6.304 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.949 -10.222 7.443 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.957 -12.272 6.081 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.302 -12.247 7.246 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.606 -11.893 5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.084 -10.161 5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.697 -9.696 4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.791 -8.600 5.620 1.00 0.00 H new ATOM 579 N SER A 36 -8.464 -9.646 9.360 1.00 0.00 N ATOM 580 CA SER A 36 -8.708 -9.960 10.763 1.00 0.00 C ATOM 581 C SER A 36 -8.793 -8.685 11.597 1.00 0.00 C ATOM 582 O SER A 36 -8.578 -7.584 11.091 1.00 0.00 O ATOM 583 CB SER A 36 -7.599 -10.864 11.305 1.00 0.00 C ATOM 584 OG SER A 36 -8.017 -11.534 12.482 1.00 0.00 O ATOM 0 H SER A 36 -7.584 -9.162 9.183 1.00 0.00 H new ATOM 0 HA SER A 36 -9.661 -10.484 10.833 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.318 -11.595 10.547 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.711 -10.268 11.518 1.00 0.00 H new ATOM 0 HG SER A 36 -7.291 -12.106 12.808 1.00 0.00 H new ATOM 590 N GLN A 37 -9.109 -8.844 12.879 1.00 0.00 N ATOM 591 CA GLN A 37 -9.223 -7.706 13.783 1.00 0.00 C ATOM 592 C GLN A 37 -7.995 -6.808 13.687 1.00 0.00 C ATOM 593 O GLN A 37 -8.108 -5.582 13.689 1.00 0.00 O ATOM 594 CB GLN A 37 -9.405 -8.189 15.223 1.00 0.00 C ATOM 595 CG GLN A 37 -10.781 -8.771 15.501 1.00 0.00 C ATOM 596 CD GLN A 37 -11.000 -10.106 14.817 1.00 0.00 C ATOM 597 OE1 GLN A 37 -10.056 -10.867 14.599 1.00 0.00 O ATOM 598 NE2 GLN A 37 -12.249 -10.398 14.473 1.00 0.00 N ATOM 0 H GLN A 37 -9.290 -9.749 13.314 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.097 -7.126 13.488 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.650 -8.944 15.442 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.229 -7.355 15.902 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.909 -8.893 16.577 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.543 -8.067 15.167 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.001 -9.738 14.673 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.457 -11.282 14.009 1.00 0.00 H new ATOM 607 N TYR A 38 -6.822 -7.425 13.602 1.00 0.00 N ATOM 608 CA TYR A 38 -5.571 -6.681 13.508 1.00 0.00 C ATOM 609 C TYR A 38 -4.764 -7.125 12.292 1.00 0.00 C ATOM 610 O TYR A 38 -3.533 -7.133 12.317 1.00 0.00 O ATOM 611 CB TYR A 38 -4.743 -6.871 14.780 1.00 0.00 C ATOM 612 CG TYR A 38 -5.578 -6.966 16.037 1.00 0.00 C ATOM 613 CD1 TYR A 38 -6.145 -8.172 16.429 1.00 0.00 C ATOM 614 CD2 TYR A 38 -5.798 -5.849 16.834 1.00 0.00 C ATOM 615 CE1 TYR A 38 -6.908 -8.263 17.577 1.00 0.00 C ATOM 616 CE2 TYR A 38 -6.560 -5.930 17.984 1.00 0.00 C ATOM 617 CZ TYR A 38 -7.113 -7.139 18.351 1.00 0.00 C ATOM 618 OH TYR A 38 -7.872 -7.226 19.495 1.00 0.00 O ATOM 0 H TYR A 38 -6.711 -8.439 13.596 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.814 -5.624 13.395 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.144 -7.777 14.682 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.047 -6.038 14.878 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.987 -9.054 15.826 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.366 -4.901 16.550 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.342 -9.209 17.867 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.722 -5.052 18.592 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.918 -6.346 19.925 1.00 0.00 H new ATOM 628 N THR A 39 -5.467 -7.494 11.225 1.00 0.00 N ATOM 629 CA THR A 39 -4.819 -7.939 9.998 1.00 0.00 C ATOM 630 C THR A 39 -5.525 -7.380 8.769 1.00 0.00 C ATOM 631 O THR A 39 -6.751 -7.430 8.668 1.00 0.00 O ATOM 632 CB THR A 39 -4.789 -9.476 9.905 1.00 0.00 C ATOM 633 OG1 THR A 39 -4.347 -10.034 11.147 1.00 0.00 O ATOM 634 CG2 THR A 39 -3.869 -9.932 8.782 1.00 0.00 C ATOM 0 H THR A 39 -6.486 -7.493 11.187 1.00 0.00 H new ATOM 0 HA THR A 39 -3.796 -7.564 10.027 1.00 0.00 H new ATOM 0 HB THR A 39 -5.799 -9.825 9.690 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.332 -11.012 11.080 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.864 -11.021 8.735 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.226 -9.530 7.834 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.858 -9.572 8.971 1.00 0.00 H new ATOM 642 N PHE A 40 -4.744 -6.847 7.835 1.00 0.00 N ATOM 643 CA PHE A 40 -5.296 -6.278 6.611 1.00 0.00 C ATOM 644 C PHE A 40 -4.512 -6.750 5.390 1.00 0.00 C ATOM 645 O PHE A 40 -3.449 -7.357 5.518 1.00 0.00 O ATOM 646 CB PHE A 40 -5.281 -4.750 6.681 1.00 0.00 C ATOM 647 CG PHE A 40 -6.224 -4.188 7.706 1.00 0.00 C ATOM 648 CD1 PHE A 40 -6.001 -4.392 9.058 1.00 0.00 C ATOM 649 CD2 PHE A 40 -7.334 -3.455 7.317 1.00 0.00 C ATOM 650 CE1 PHE A 40 -6.869 -3.876 10.003 1.00 0.00 C ATOM 651 CE2 PHE A 40 -8.205 -2.937 8.257 1.00 0.00 C ATOM 652 CZ PHE A 40 -7.971 -3.147 9.602 1.00 0.00 C ATOM 0 H PHE A 40 -3.727 -6.797 7.902 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.326 -6.620 6.514 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.269 -4.414 6.907 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.539 -4.347 5.702 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.140 -4.960 9.378 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.521 -3.286 6.267 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.685 -4.043 11.054 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -9.067 -2.369 7.940 1.00 0.00 H new ATOM 0 HZ PHE A 40 -8.649 -2.742 10.339 1.00 0.00 H new ATOM 662 N ALA A 41 -5.044 -6.466 4.206 1.00 0.00 N ATOM 663 CA ALA A 41 -4.394 -6.859 2.962 1.00 0.00 C ATOM 664 C ALA A 41 -4.753 -5.903 1.829 1.00 0.00 C ATOM 665 O ALA A 41 -5.876 -5.406 1.756 1.00 0.00 O ATOM 666 CB ALA A 41 -4.778 -8.284 2.593 1.00 0.00 C ATOM 0 H ALA A 41 -5.924 -5.965 4.082 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.316 -6.812 3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.285 -8.564 1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.466 -8.962 3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.859 -8.348 2.465 1.00 0.00 H new ATOM 672 N MET A 42 -3.790 -5.649 0.948 1.00 0.00 N ATOM 673 CA MET A 42 -4.006 -4.752 -0.181 1.00 0.00 C ATOM 674 C MET A 42 -4.475 -5.527 -1.409 1.00 0.00 C ATOM 675 O MET A 42 -3.673 -6.152 -2.103 1.00 0.00 O ATOM 676 CB MET A 42 -2.721 -3.989 -0.506 1.00 0.00 C ATOM 677 CG MET A 42 -2.269 -3.057 0.607 1.00 0.00 C ATOM 678 SD MET A 42 -3.387 -1.661 0.840 1.00 0.00 S ATOM 679 CE MET A 42 -2.758 -0.515 -0.384 1.00 0.00 C ATOM 0 H MET A 42 -2.854 -6.051 0.994 1.00 0.00 H new ATOM 0 HA MET A 42 -4.783 -4.040 0.096 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.926 -4.705 -0.714 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.873 -3.408 -1.416 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.196 -3.618 1.538 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.270 -2.684 0.380 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.592 -0.026 -0.887 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.139 0.237 0.106 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.160 -1.057 -1.116 1.00 0.00 H new ATOM 689 N CYS A 43 -5.777 -5.481 -1.669 1.00 0.00 N ATOM 690 CA CYS A 43 -6.353 -6.180 -2.813 1.00 0.00 C ATOM 691 C CYS A 43 -6.387 -5.277 -4.041 1.00 0.00 C ATOM 692 O CYS A 43 -6.694 -4.089 -3.943 1.00 0.00 O ATOM 693 CB CYS A 43 -7.765 -6.665 -2.482 1.00 0.00 C ATOM 694 SG CYS A 43 -7.827 -7.934 -1.196 1.00 0.00 S ATOM 0 H CYS A 43 -6.453 -4.968 -1.104 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.724 -7.042 -3.036 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.366 -5.812 -2.165 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.224 -7.059 -3.389 1.00 0.00 H new ATOM 0 HG CYS A 43 -9.027 -8.429 -1.132 1.00 0.00 H new ATOM 700 N SER A 44 -6.067 -5.848 -5.198 1.00 0.00 N ATOM 701 CA SER A 44 -6.055 -5.093 -6.446 1.00 0.00 C ATOM 702 C SER A 44 -7.189 -5.542 -7.363 1.00 0.00 C ATOM 703 O SER A 44 -7.093 -6.575 -8.026 1.00 0.00 O ATOM 704 CB SER A 44 -4.711 -5.262 -7.157 1.00 0.00 C ATOM 705 OG SER A 44 -4.520 -4.252 -8.132 1.00 0.00 O ATOM 0 H SER A 44 -5.813 -6.831 -5.297 1.00 0.00 H new ATOM 0 HA SER A 44 -6.200 -4.040 -6.206 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.902 -5.225 -6.427 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.667 -6.243 -7.631 1.00 0.00 H new ATOM 0 HG SER A 44 -5.043 -3.459 -7.889 1.00 0.00 H new ATOM 711 N TYR A 45 -8.261 -4.759 -7.396 1.00 0.00 N ATOM 712 CA TYR A 45 -9.414 -5.076 -8.229 1.00 0.00 C ATOM 713 C TYR A 45 -9.293 -4.418 -9.600 1.00 0.00 C ATOM 714 O TYR A 45 -8.950 -3.241 -9.708 1.00 0.00 O ATOM 715 CB TYR A 45 -10.705 -4.622 -7.545 1.00 0.00 C ATOM 716 CG TYR A 45 -10.881 -5.182 -6.152 1.00 0.00 C ATOM 717 CD1 TYR A 45 -11.214 -6.516 -5.955 1.00 0.00 C ATOM 718 CD2 TYR A 45 -10.714 -4.376 -5.032 1.00 0.00 C ATOM 719 CE1 TYR A 45 -11.377 -7.032 -4.684 1.00 0.00 C ATOM 720 CE2 TYR A 45 -10.873 -4.884 -3.757 1.00 0.00 C ATOM 721 CZ TYR A 45 -11.205 -6.212 -3.588 1.00 0.00 C ATOM 722 OH TYR A 45 -11.365 -6.721 -2.320 1.00 0.00 O ATOM 0 H TYR A 45 -8.355 -3.899 -6.855 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.444 -6.157 -8.366 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.716 -3.533 -7.494 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -11.555 -4.921 -8.158 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -11.348 -7.161 -6.811 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.456 -3.335 -5.161 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.638 -8.071 -4.549 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.738 -4.245 -2.897 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.207 -6.013 -1.661 1.00 0.00 H new ATOM 732 N ARG A 46 -9.579 -5.187 -10.646 1.00 0.00 N ATOM 733 CA ARG A 46 -9.502 -4.680 -12.011 1.00 0.00 C ATOM 734 C ARG A 46 -10.867 -4.193 -12.487 1.00 0.00 C ATOM 735 O ARG A 46 -10.964 -3.203 -13.213 1.00 0.00 O ATOM 736 CB ARG A 46 -8.980 -5.767 -12.952 1.00 0.00 C ATOM 737 CG ARG A 46 -9.964 -6.903 -13.177 1.00 0.00 C ATOM 738 CD ARG A 46 -9.341 -8.028 -13.988 1.00 0.00 C ATOM 739 NE ARG A 46 -9.534 -7.840 -15.424 1.00 0.00 N ATOM 740 CZ ARG A 46 -8.739 -7.092 -16.180 1.00 0.00 C ATOM 741 NH1 ARG A 46 -7.703 -6.465 -15.641 1.00 0.00 N ATOM 742 NH2 ARG A 46 -8.981 -6.970 -17.480 1.00 0.00 N ATOM 0 H ARG A 46 -9.866 -6.163 -10.574 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.811 -3.837 -12.021 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.733 -5.316 -13.913 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.055 -6.175 -12.545 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.301 -7.290 -12.215 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.846 -6.525 -13.695 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.275 -8.084 -13.770 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.779 -8.979 -13.685 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.322 -8.309 -15.870 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.515 -6.556 -14.643 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.094 -5.891 -16.225 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.778 -7.451 -17.898 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.370 -6.395 -18.061 1.00 0.00 H new ATOM 756 N GLU A 47 -11.918 -4.894 -12.074 1.00 0.00 N ATOM 757 CA GLU A 47 -13.277 -4.533 -12.460 1.00 0.00 C ATOM 758 C GLU A 47 -14.173 -4.394 -11.233 1.00 0.00 C ATOM 759 O GLU A 47 -13.736 -4.613 -10.103 1.00 0.00 O ATOM 760 CB GLU A 47 -13.856 -5.581 -13.413 1.00 0.00 C ATOM 761 CG GLU A 47 -14.902 -5.027 -14.365 1.00 0.00 C ATOM 762 CD GLU A 47 -14.953 -5.781 -15.679 1.00 0.00 C ATOM 763 OE1 GLU A 47 -15.145 -7.014 -15.649 1.00 0.00 O ATOM 764 OE2 GLU A 47 -14.800 -5.137 -16.738 1.00 0.00 O ATOM 0 H GLU A 47 -11.855 -5.715 -11.472 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.239 -3.571 -12.970 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.044 -6.019 -13.994 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.300 -6.386 -12.828 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.881 -5.070 -13.888 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.689 -3.976 -14.561 1.00 0.00 H new ATOM 771 N LYS A 48 -15.429 -4.030 -11.463 1.00 0.00 N ATOM 772 CA LYS A 48 -16.389 -3.862 -10.378 1.00 0.00 C ATOM 773 C LYS A 48 -16.361 -5.062 -9.437 1.00 0.00 C ATOM 774 O LYS A 48 -15.919 -4.956 -8.292 1.00 0.00 O ATOM 775 CB LYS A 48 -17.800 -3.676 -10.942 1.00 0.00 C ATOM 776 CG LYS A 48 -17.911 -2.534 -11.937 1.00 0.00 C ATOM 777 CD LYS A 48 -19.360 -2.144 -12.178 1.00 0.00 C ATOM 778 CE LYS A 48 -20.044 -3.104 -13.138 1.00 0.00 C ATOM 779 NZ LYS A 48 -19.463 -3.028 -14.507 1.00 0.00 N ATOM 0 H LYS A 48 -15.807 -3.845 -12.392 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.110 -2.972 -9.813 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.113 -4.601 -11.426 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.491 -3.498 -10.118 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.358 -1.671 -11.565 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.450 -2.826 -12.881 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.897 -2.132 -11.230 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -19.403 -1.132 -12.581 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -19.952 -4.122 -12.760 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -21.109 -2.876 -13.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -20.153 -3.386 -15.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -19.230 -2.039 -14.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -18.599 -3.605 -14.550 1.00 0.00 H new ATOM 793 N LYS A 49 -16.834 -6.203 -9.926 1.00 0.00 N ATOM 794 CA LYS A 49 -16.860 -7.424 -9.129 1.00 0.00 C ATOM 795 C LYS A 49 -15.941 -8.485 -9.728 1.00 0.00 C ATOM 796 O LYS A 49 -16.400 -9.409 -10.399 1.00 0.00 O ATOM 797 CB LYS A 49 -18.288 -7.966 -9.036 1.00 0.00 C ATOM 798 CG LYS A 49 -19.222 -7.083 -8.226 1.00 0.00 C ATOM 799 CD LYS A 49 -20.675 -7.313 -8.604 1.00 0.00 C ATOM 800 CE LYS A 49 -21.094 -6.429 -9.769 1.00 0.00 C ATOM 801 NZ LYS A 49 -21.620 -5.115 -9.307 1.00 0.00 N ATOM 0 H LYS A 49 -17.205 -6.308 -10.870 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.503 -7.182 -8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.691 -8.080 -10.042 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.262 -8.960 -8.589 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -19.085 -7.285 -7.164 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.965 -6.036 -8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -20.822 -8.360 -8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -21.313 -7.110 -7.744 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -20.241 -6.267 -10.427 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -21.857 -6.940 -10.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -21.895 -4.542 -10.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -22.450 -5.268 -8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.883 -4.616 -8.768 1.00 0.00 H new ATOM 815 N ALA A 50 -14.643 -8.344 -9.481 1.00 0.00 N ATOM 816 CA ALA A 50 -13.661 -9.292 -9.993 1.00 0.00 C ATOM 817 C ALA A 50 -12.653 -9.674 -8.915 1.00 0.00 C ATOM 818 O ALA A 50 -12.323 -8.867 -8.047 1.00 0.00 O ATOM 819 CB ALA A 50 -12.947 -8.710 -11.204 1.00 0.00 C ATOM 0 H ALA A 50 -14.247 -7.583 -8.930 1.00 0.00 H new ATOM 0 HA ALA A 50 -14.189 -10.196 -10.296 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.217 -9.429 -11.576 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -13.675 -8.494 -11.986 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.438 -7.790 -10.918 1.00 0.00 H new ATOM 825 N GLU A 51 -12.168 -10.911 -8.976 1.00 0.00 N ATOM 826 CA GLU A 51 -11.198 -11.399 -8.003 1.00 0.00 C ATOM 827 C GLU A 51 -9.980 -10.482 -7.942 1.00 0.00 C ATOM 828 O GLU A 51 -9.557 -9.903 -8.942 1.00 0.00 O ATOM 829 CB GLU A 51 -10.761 -12.823 -8.355 1.00 0.00 C ATOM 830 CG GLU A 51 -11.773 -13.885 -7.959 1.00 0.00 C ATOM 831 CD GLU A 51 -11.134 -15.240 -7.725 1.00 0.00 C ATOM 832 OE1 GLU A 51 -9.961 -15.279 -7.300 1.00 0.00 O ATOM 833 OE2 GLU A 51 -11.809 -16.263 -7.967 1.00 0.00 O ATOM 0 H GLU A 51 -12.431 -11.592 -9.688 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.676 -11.405 -7.023 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.583 -12.885 -9.429 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.812 -13.035 -7.862 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.290 -13.569 -7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.527 -13.973 -8.741 1.00 0.00 H new ATOM 840 N PRO A 52 -9.402 -10.346 -6.739 1.00 0.00 N ATOM 841 CA PRO A 52 -8.224 -9.502 -6.517 1.00 0.00 C ATOM 842 C PRO A 52 -6.969 -10.076 -7.165 1.00 0.00 C ATOM 843 O PRO A 52 -6.277 -10.902 -6.571 1.00 0.00 O ATOM 844 CB PRO A 52 -8.081 -9.486 -4.994 1.00 0.00 C ATOM 845 CG PRO A 52 -8.728 -10.748 -4.539 1.00 0.00 C ATOM 846 CD PRO A 52 -9.853 -11.007 -5.503 1.00 0.00 C ATOM 0 HA PRO A 52 -8.343 -8.512 -6.958 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.033 -9.448 -4.695 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.568 -8.613 -4.560 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.016 -11.574 -4.539 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.102 -10.649 -3.520 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.015 -12.074 -5.654 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.794 -10.589 -5.144 1.00 0.00 H new ATOM 854 N GLN A 53 -6.681 -9.632 -8.384 1.00 0.00 N ATOM 855 CA GLN A 53 -5.508 -10.103 -9.111 1.00 0.00 C ATOM 856 C GLN A 53 -4.308 -10.238 -8.180 1.00 0.00 C ATOM 857 O GLN A 53 -3.639 -11.270 -8.162 1.00 0.00 O ATOM 858 CB GLN A 53 -5.174 -9.146 -10.257 1.00 0.00 C ATOM 859 CG GLN A 53 -4.437 -9.810 -11.409 1.00 0.00 C ATOM 860 CD GLN A 53 -5.256 -10.897 -12.077 1.00 0.00 C ATOM 861 OE1 GLN A 53 -6.023 -10.632 -13.003 1.00 0.00 O ATOM 862 NE2 GLN A 53 -5.097 -12.130 -11.610 1.00 0.00 N ATOM 0 H GLN A 53 -7.243 -8.947 -8.889 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.738 -11.086 -9.523 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.098 -8.706 -10.633 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.566 -8.328 -9.871 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.171 -9.055 -12.148 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.505 -10.238 -11.040 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.450 -12.305 -10.841 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.622 -12.902 -12.021 1.00 0.00 H new ATOM 871 N GLU A 54 -4.043 -9.188 -7.408 1.00 0.00 N ATOM 872 CA GLU A 54 -2.923 -9.191 -6.475 1.00 0.00 C ATOM 873 C GLU A 54 -3.396 -8.897 -5.055 1.00 0.00 C ATOM 874 O GLU A 54 -4.155 -7.954 -4.824 1.00 0.00 O ATOM 875 CB GLU A 54 -1.875 -8.159 -6.899 1.00 0.00 C ATOM 876 CG GLU A 54 -0.970 -8.637 -8.022 1.00 0.00 C ATOM 877 CD GLU A 54 -1.704 -8.787 -9.340 1.00 0.00 C ATOM 878 OE1 GLU A 54 -2.388 -7.826 -9.750 1.00 0.00 O ATOM 879 OE2 GLU A 54 -1.596 -9.865 -9.961 1.00 0.00 O ATOM 0 H GLU A 54 -4.588 -8.326 -7.411 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.473 -10.184 -6.491 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.382 -7.248 -7.215 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.262 -7.900 -6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.148 -7.932 -8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.529 -9.595 -7.745 1.00 0.00 H new ATOM 886 N LEU A 55 -2.945 -9.710 -4.107 1.00 0.00 N ATOM 887 CA LEU A 55 -3.322 -9.539 -2.708 1.00 0.00 C ATOM 888 C LEU A 55 -2.104 -9.655 -1.797 1.00 0.00 C ATOM 889 O LEU A 55 -1.507 -10.725 -1.675 1.00 0.00 O ATOM 890 CB LEU A 55 -4.371 -10.579 -2.311 1.00 0.00 C ATOM 891 CG LEU A 55 -5.186 -10.266 -1.056 1.00 0.00 C ATOM 892 CD1 LEU A 55 -6.394 -11.185 -0.960 1.00 0.00 C ATOM 893 CD2 LEU A 55 -4.318 -10.391 0.188 1.00 0.00 C ATOM 0 H LEU A 55 -2.317 -10.495 -4.281 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.746 -8.542 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.061 -10.706 -3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.868 -11.535 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.543 -9.238 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.962 -10.947 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.027 -11.046 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.060 -12.222 -0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.914 -10.165 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.932 -11.408 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.486 -9.690 0.123 1.00 0.00 H new ATOM 905 N LEU A 56 -1.743 -8.548 -1.158 1.00 0.00 N ATOM 906 CA LEU A 56 -0.597 -8.526 -0.255 1.00 0.00 C ATOM 907 C LEU A 56 -1.044 -8.305 1.187 1.00 0.00 C ATOM 908 O LEU A 56 -1.667 -7.293 1.505 1.00 0.00 O ATOM 909 CB LEU A 56 0.383 -7.428 -0.671 1.00 0.00 C ATOM 910 CG LEU A 56 1.620 -7.262 0.213 1.00 0.00 C ATOM 911 CD1 LEU A 56 2.701 -8.253 -0.191 1.00 0.00 C ATOM 912 CD2 LEU A 56 2.145 -5.836 0.134 1.00 0.00 C ATOM 0 H LEU A 56 -2.227 -7.654 -1.248 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.098 -9.493 -0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.714 -7.631 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.153 -6.479 -0.693 1.00 0.00 H new ATOM 0 HG LEU A 56 1.335 -7.466 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.574 -8.120 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.322 -9.269 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.983 -8.080 -1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.025 -5.737 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.413 -5.604 -0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.373 -5.145 0.473 1.00 0.00 H new ATOM 924 N GLN A 57 -0.719 -9.259 2.054 1.00 0.00 N ATOM 925 CA GLN A 57 -1.086 -9.168 3.462 1.00 0.00 C ATOM 926 C GLN A 57 -0.103 -8.285 4.224 1.00 0.00 C ATOM 927 O GLN A 57 1.108 -8.507 4.183 1.00 0.00 O ATOM 928 CB GLN A 57 -1.132 -10.561 4.090 1.00 0.00 C ATOM 929 CG GLN A 57 -2.504 -11.212 4.030 1.00 0.00 C ATOM 930 CD GLN A 57 -2.433 -12.726 4.028 1.00 0.00 C ATOM 931 OE1 GLN A 57 -2.112 -13.343 3.011 1.00 0.00 O ATOM 932 NE2 GLN A 57 -2.733 -13.334 5.170 1.00 0.00 N ATOM 0 H GLN A 57 -0.203 -10.103 1.806 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.076 -8.717 3.525 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -0.412 -11.203 3.582 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.818 -10.491 5.131 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.096 -10.881 4.883 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.023 -10.875 3.132 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.994 -12.783 5.988 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.703 -14.352 5.229 1.00 0.00 H new ATOM 941 N LEU A 58 -0.632 -7.284 4.919 1.00 0.00 N ATOM 942 CA LEU A 58 0.199 -6.366 5.692 1.00 0.00 C ATOM 943 C LEU A 58 0.234 -6.770 7.162 1.00 0.00 C ATOM 944 O LEU A 58 0.192 -5.920 8.051 1.00 0.00 O ATOM 945 CB LEU A 58 -0.325 -4.936 5.557 1.00 0.00 C ATOM 946 CG LEU A 58 -0.582 -4.447 4.131 1.00 0.00 C ATOM 947 CD1 LEU A 58 -1.600 -3.317 4.129 1.00 0.00 C ATOM 948 CD2 LEU A 58 0.718 -3.998 3.478 1.00 0.00 C ATOM 0 H LEU A 58 -1.632 -7.087 4.963 1.00 0.00 H new ATOM 0 HA LEU A 58 1.214 -6.413 5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.255 -4.856 6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.391 -4.262 6.027 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.989 -5.276 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.770 -2.982 3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.538 -3.672 4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.222 -2.486 4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.516 -3.653 2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.154 -3.184 4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.416 -4.834 3.444 1.00 0.00 H new ATOM 960 N ASP A 59 0.315 -8.073 7.411 1.00 0.00 N ATOM 961 CA ASP A 59 0.359 -8.590 8.773 1.00 0.00 C ATOM 962 C ASP A 59 1.494 -7.944 9.563 1.00 0.00 C ATOM 963 O ASP A 59 1.263 -7.082 10.409 1.00 0.00 O ATOM 964 CB ASP A 59 0.531 -10.110 8.760 1.00 0.00 C ATOM 965 CG ASP A 59 0.640 -10.693 10.155 1.00 0.00 C ATOM 966 OD1 ASP A 59 -0.276 -10.457 10.970 1.00 0.00 O ATOM 967 OD2 ASP A 59 1.641 -11.386 10.431 1.00 0.00 O ATOM 0 H ASP A 59 0.351 -8.790 6.687 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.585 -8.344 9.259 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.316 -10.564 8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.425 -10.367 8.191 1.00 0.00 H new ATOM 972 N GLY A 60 2.722 -8.370 9.280 1.00 0.00 N ATOM 973 CA GLY A 60 3.874 -7.824 9.973 1.00 0.00 C ATOM 974 C GLY A 60 4.560 -6.728 9.182 1.00 0.00 C ATOM 975 O GLY A 60 5.603 -6.217 9.591 1.00 0.00 O ATOM 0 H GLY A 60 2.939 -9.083 8.584 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.559 -7.428 10.939 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.587 -8.624 10.173 1.00 0.00 H new ATOM 979 N TYR A 61 3.975 -6.366 8.046 1.00 0.00 N ATOM 980 CA TYR A 61 4.539 -5.326 7.193 1.00 0.00 C ATOM 981 C TYR A 61 4.620 -3.996 7.937 1.00 0.00 C ATOM 982 O TYR A 61 3.771 -3.684 8.772 1.00 0.00 O ATOM 983 CB TYR A 61 3.698 -5.164 5.926 1.00 0.00 C ATOM 984 CG TYR A 61 4.129 -6.067 4.793 1.00 0.00 C ATOM 985 CD1 TYR A 61 5.109 -5.666 3.893 1.00 0.00 C ATOM 986 CD2 TYR A 61 3.558 -7.322 4.623 1.00 0.00 C ATOM 987 CE1 TYR A 61 5.506 -6.487 2.856 1.00 0.00 C ATOM 988 CE2 TYR A 61 3.949 -8.151 3.589 1.00 0.00 C ATOM 989 CZ TYR A 61 4.923 -7.729 2.708 1.00 0.00 C ATOM 990 OH TYR A 61 5.317 -8.551 1.677 1.00 0.00 O ATOM 0 H TYR A 61 3.110 -6.777 7.694 1.00 0.00 H new ATOM 0 HA TYR A 61 5.549 -5.628 6.914 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.654 -5.368 6.165 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.753 -4.127 5.594 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.568 -4.695 4.007 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.795 -7.655 5.311 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.268 -6.159 2.165 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.495 -9.124 3.471 1.00 0.00 H new ATOM 0 HH TYR A 61 4.746 -9.347 1.656 1.00 0.00 H new ATOM 1000 N THR A 62 5.650 -3.214 7.627 1.00 0.00 N ATOM 1001 CA THR A 62 5.845 -1.918 8.265 1.00 0.00 C ATOM 1002 C THR A 62 5.948 -0.806 7.228 1.00 0.00 C ATOM 1003 O THR A 62 7.016 -0.566 6.664 1.00 0.00 O ATOM 1004 CB THR A 62 7.112 -1.908 9.140 1.00 0.00 C ATOM 1005 OG1 THR A 62 6.966 -2.832 10.224 1.00 0.00 O ATOM 1006 CG2 THR A 62 7.379 -0.514 9.688 1.00 0.00 C ATOM 0 H THR A 62 6.362 -3.456 6.938 1.00 0.00 H new ATOM 0 HA THR A 62 4.975 -1.742 8.897 1.00 0.00 H new ATOM 0 HB THR A 62 7.958 -2.206 8.520 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.777 -2.821 10.775 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.279 -0.531 10.303 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.518 0.182 8.861 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.532 -0.193 10.294 1.00 0.00 H new ATOM 1014 N VAL A 63 4.831 -0.127 6.982 1.00 0.00 N ATOM 1015 CA VAL A 63 4.797 0.962 6.013 1.00 0.00 C ATOM 1016 C VAL A 63 5.267 2.270 6.641 1.00 0.00 C ATOM 1017 O VAL A 63 4.956 2.563 7.796 1.00 0.00 O ATOM 1018 CB VAL A 63 3.381 1.160 5.441 1.00 0.00 C ATOM 1019 CG1 VAL A 63 2.348 1.158 6.558 1.00 0.00 C ATOM 1020 CG2 VAL A 63 3.306 2.450 4.638 1.00 0.00 C ATOM 0 H VAL A 63 3.939 -0.312 7.440 1.00 0.00 H new ATOM 0 HA VAL A 63 5.473 0.687 5.203 1.00 0.00 H new ATOM 0 HB VAL A 63 3.160 0.329 4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.354 1.299 6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.385 0.205 7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.564 1.968 7.255 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.298 2.574 4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.548 3.295 5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.018 2.407 3.814 1.00 0.00 H new ATOM 1030 N ASP A 64 6.016 3.053 5.872 1.00 0.00 N ATOM 1031 CA ASP A 64 6.528 4.331 6.352 1.00 0.00 C ATOM 1032 C ASP A 64 7.105 5.151 5.203 1.00 0.00 C ATOM 1033 O ASP A 64 7.631 4.599 4.235 1.00 0.00 O ATOM 1034 CB ASP A 64 7.597 4.107 7.423 1.00 0.00 C ATOM 1035 CG ASP A 64 8.913 3.636 6.837 1.00 0.00 C ATOM 1036 OD1 ASP A 64 9.709 4.493 6.398 1.00 0.00 O ATOM 1037 OD2 ASP A 64 9.149 2.410 6.818 1.00 0.00 O ATOM 0 H ASP A 64 6.282 2.825 4.914 1.00 0.00 H new ATOM 0 HA ASP A 64 5.698 4.886 6.789 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.758 5.035 7.971 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.238 3.370 8.142 1.00 0.00 H new ATOM 1042 N TYR A 65 7.004 6.471 5.315 1.00 0.00 N ATOM 1043 CA TYR A 65 7.512 7.367 4.283 1.00 0.00 C ATOM 1044 C TYR A 65 8.947 7.008 3.909 1.00 0.00 C ATOM 1045 O TYR A 65 9.766 6.689 4.772 1.00 0.00 O ATOM 1046 CB TYR A 65 7.446 8.818 4.761 1.00 0.00 C ATOM 1047 CG TYR A 65 6.142 9.174 5.439 1.00 0.00 C ATOM 1048 CD1 TYR A 65 5.974 8.989 6.806 1.00 0.00 C ATOM 1049 CD2 TYR A 65 5.077 9.693 4.712 1.00 0.00 C ATOM 1050 CE1 TYR A 65 4.784 9.312 7.429 1.00 0.00 C ATOM 1051 CE2 TYR A 65 3.885 10.020 5.327 1.00 0.00 C ATOM 1052 CZ TYR A 65 3.743 9.827 6.686 1.00 0.00 C ATOM 1053 OH TYR A 65 2.555 10.150 7.302 1.00 0.00 O ATOM 0 H TYR A 65 6.575 6.944 6.110 1.00 0.00 H new ATOM 0 HA TYR A 65 6.886 7.254 3.398 1.00 0.00 H new ATOM 0 HB2 TYR A 65 8.268 9.001 5.453 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.595 9.480 3.908 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.787 8.586 7.391 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.184 9.843 3.648 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.670 9.162 8.492 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.068 10.425 4.748 1.00 0.00 H new ATOM 0 HH TYR A 65 2.290 11.058 7.046 1.00 0.00 H new ATOM 1063 N THR A 66 9.246 7.062 2.615 1.00 0.00 N ATOM 1064 CA THR A 66 10.581 6.743 2.124 1.00 0.00 C ATOM 1065 C THR A 66 10.947 7.609 0.925 1.00 0.00 C ATOM 1066 O THR A 66 10.075 8.180 0.269 1.00 0.00 O ATOM 1067 CB THR A 66 10.693 5.260 1.725 1.00 0.00 C ATOM 1068 OG1 THR A 66 12.069 4.899 1.561 1.00 0.00 O ATOM 1069 CG2 THR A 66 9.934 4.988 0.434 1.00 0.00 C ATOM 0 H THR A 66 8.581 7.324 1.887 1.00 0.00 H new ATOM 0 HA THR A 66 11.275 6.945 2.940 1.00 0.00 H new ATOM 0 HB THR A 66 10.253 4.658 2.520 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.131 3.954 1.309 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.028 3.934 0.172 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.881 5.236 0.572 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.349 5.599 -0.368 1.00 0.00 H new ATOM 1077 N ASP A 67 12.242 7.702 0.642 1.00 0.00 N ATOM 1078 CA ASP A 67 12.724 8.498 -0.481 1.00 0.00 C ATOM 1079 C ASP A 67 12.336 7.855 -1.809 1.00 0.00 C ATOM 1080 O ASP A 67 12.092 6.652 -1.896 1.00 0.00 O ATOM 1081 CB ASP A 67 14.243 8.661 -0.404 1.00 0.00 C ATOM 1082 CG ASP A 67 14.933 7.415 0.117 1.00 0.00 C ATOM 1083 OD1 ASP A 67 14.949 6.399 -0.609 1.00 0.00 O ATOM 1084 OD2 ASP A 67 15.455 7.456 1.251 1.00 0.00 O ATOM 0 H ASP A 67 12.977 7.236 1.175 1.00 0.00 H new ATOM 0 HA ASP A 67 12.258 9.481 -0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.631 8.900 -1.394 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.483 9.504 0.244 1.00 0.00 H new ATOM 1089 N PRO A 68 12.275 8.676 -2.869 1.00 0.00 N ATOM 1090 CA PRO A 68 11.916 8.209 -4.211 1.00 0.00 C ATOM 1091 C PRO A 68 12.999 7.332 -4.829 1.00 0.00 C ATOM 1092 O PRO A 68 13.982 7.835 -5.372 1.00 0.00 O ATOM 1093 CB PRO A 68 11.760 9.507 -5.008 1.00 0.00 C ATOM 1094 CG PRO A 68 12.615 10.496 -4.293 1.00 0.00 C ATOM 1095 CD PRO A 68 12.552 10.122 -2.838 1.00 0.00 C ATOM 0 HA PRO A 68 11.020 7.588 -4.200 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.083 9.378 -6.041 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.720 9.831 -5.037 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.641 10.463 -4.660 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.252 11.512 -4.451 1.00 0.00 H new ATOM 0 HD2 PRO A 68 13.489 10.341 -2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.768 10.670 -2.316 1.00 0.00 H new ATOM 1103 N GLN A 69 12.812 6.019 -4.743 1.00 0.00 N ATOM 1104 CA GLN A 69 13.775 5.073 -5.294 1.00 0.00 C ATOM 1105 C GLN A 69 14.061 5.379 -6.760 1.00 0.00 C ATOM 1106 O GLN A 69 13.162 5.694 -7.541 1.00 0.00 O ATOM 1107 CB GLN A 69 13.253 3.642 -5.152 1.00 0.00 C ATOM 1108 CG GLN A 69 12.956 3.242 -3.715 1.00 0.00 C ATOM 1109 CD GLN A 69 14.198 3.217 -2.847 1.00 0.00 C ATOM 1110 OE1 GLN A 69 15.220 2.640 -3.222 1.00 0.00 O ATOM 1111 NE2 GLN A 69 14.118 3.845 -1.680 1.00 0.00 N ATOM 0 H GLN A 69 12.003 5.586 -4.297 1.00 0.00 H new ATOM 0 HA GLN A 69 14.705 5.171 -4.734 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.345 3.535 -5.745 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.988 2.953 -5.568 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.234 3.939 -3.290 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.491 2.256 -3.705 1.00 0.00 H new ATOM 0 HE21 GLN A 69 13.251 4.310 -1.409 1.00 0.00 H new ATOM 0 HE22 GLN A 69 14.923 3.863 -1.054 1.00 0.00 H new ATOM 1120 N PRO A 70 15.342 5.286 -7.145 1.00 0.00 N ATOM 1121 CA PRO A 70 15.777 5.549 -8.520 1.00 0.00 C ATOM 1122 C PRO A 70 15.304 4.475 -9.493 1.00 0.00 C ATOM 1123 O PRO A 70 15.966 3.453 -9.674 1.00 0.00 O ATOM 1124 CB PRO A 70 17.304 5.543 -8.417 1.00 0.00 C ATOM 1125 CG PRO A 70 17.600 4.693 -7.230 1.00 0.00 C ATOM 1126 CD PRO A 70 16.466 4.916 -6.268 1.00 0.00 C ATOM 0 HA PRO A 70 15.366 6.482 -8.906 1.00 0.00 H new ATOM 0 HB2 PRO A 70 17.760 5.136 -9.319 1.00 0.00 H new ATOM 0 HB3 PRO A 70 17.696 6.552 -8.289 1.00 0.00 H new ATOM 0 HG2 PRO A 70 17.673 3.642 -7.511 1.00 0.00 H new ATOM 0 HG3 PRO A 70 18.554 4.969 -6.780 1.00 0.00 H new ATOM 0 HD2 PRO A 70 16.246 4.018 -5.691 1.00 0.00 H new ATOM 0 HD3 PRO A 70 16.695 5.706 -5.553 1.00 0.00 H new ATOM 1134 N GLY A 71 14.155 4.713 -10.118 1.00 0.00 N ATOM 1135 CA GLY A 71 13.614 3.756 -11.066 1.00 0.00 C ATOM 1136 C GLY A 71 12.127 3.942 -11.293 1.00 0.00 C ATOM 1137 O GLY A 71 11.680 4.100 -12.430 1.00 0.00 O ATOM 0 H GLY A 71 13.589 5.551 -9.985 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.139 3.854 -12.016 1.00 0.00 H new ATOM 0 HA3 GLY A 71 13.799 2.745 -10.703 1.00 0.00 H new ATOM 1141 N LEU A 72 11.358 3.923 -10.210 1.00 0.00 N ATOM 1142 CA LEU A 72 9.911 4.090 -10.296 1.00 0.00 C ATOM 1143 C LEU A 72 9.554 5.450 -10.888 1.00 0.00 C ATOM 1144 O LEU A 72 10.047 6.482 -10.436 1.00 0.00 O ATOM 1145 CB LEU A 72 9.277 3.941 -8.912 1.00 0.00 C ATOM 1146 CG LEU A 72 9.755 2.751 -8.080 1.00 0.00 C ATOM 1147 CD1 LEU A 72 9.249 2.862 -6.650 1.00 0.00 C ATOM 1148 CD2 LEU A 72 9.298 1.443 -8.709 1.00 0.00 C ATOM 0 H LEU A 72 11.712 3.794 -9.262 1.00 0.00 H new ATOM 0 HA LEU A 72 9.519 3.314 -10.953 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.467 4.854 -8.347 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.197 3.862 -9.036 1.00 0.00 H new ATOM 0 HG LEU A 72 10.845 2.760 -8.060 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.599 2.006 -6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.626 3.781 -6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.159 2.878 -6.650 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.647 0.607 -8.104 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.209 1.425 -8.760 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.710 1.360 -9.715 1.00 0.00 H new ATOM 1160 N GLU A 73 8.692 5.441 -11.900 1.00 0.00 N ATOM 1161 CA GLU A 73 8.268 6.675 -12.552 1.00 0.00 C ATOM 1162 C GLU A 73 6.746 6.749 -12.640 1.00 0.00 C ATOM 1163 O GLU A 73 6.172 6.668 -13.725 1.00 0.00 O ATOM 1164 CB GLU A 73 8.876 6.773 -13.953 1.00 0.00 C ATOM 1165 CG GLU A 73 8.439 8.008 -14.721 1.00 0.00 C ATOM 1166 CD GLU A 73 9.397 8.369 -15.839 1.00 0.00 C ATOM 1167 OE1 GLU A 73 10.417 9.031 -15.554 1.00 0.00 O ATOM 1168 OE2 GLU A 73 9.128 7.991 -16.998 1.00 0.00 O ATOM 0 H GLU A 73 8.274 4.594 -12.286 1.00 0.00 H new ATOM 0 HA GLU A 73 8.621 7.513 -11.951 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.963 6.773 -13.869 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.601 5.885 -14.522 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.446 7.839 -15.139 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.356 8.849 -14.033 1.00 0.00 H new ATOM 1175 N GLY A 74 6.099 6.903 -11.488 1.00 0.00 N ATOM 1176 CA GLY A 74 4.651 6.984 -11.456 1.00 0.00 C ATOM 1177 C GLY A 74 4.124 7.404 -10.099 1.00 0.00 C ATOM 1178 O GLY A 74 3.879 6.564 -9.233 1.00 0.00 O ATOM 0 H GLY A 74 6.552 6.973 -10.577 1.00 0.00 H new ATOM 0 HA2 GLY A 74 4.313 7.695 -12.210 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.230 6.014 -11.722 1.00 0.00 H new ATOM 1182 N GLY A 75 3.949 8.708 -9.910 1.00 0.00 N ATOM 1183 CA GLY A 75 3.451 9.215 -8.645 1.00 0.00 C ATOM 1184 C GLY A 75 4.428 10.159 -7.973 1.00 0.00 C ATOM 1185 O GLY A 75 5.631 10.101 -8.226 1.00 0.00 O ATOM 0 H GLY A 75 4.143 9.423 -10.611 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.506 9.733 -8.811 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.243 8.378 -7.979 1.00 0.00 H new ATOM 1189 N ARG A 76 3.910 11.032 -7.115 1.00 0.00 N ATOM 1190 CA ARG A 76 4.745 11.995 -6.407 1.00 0.00 C ATOM 1191 C ARG A 76 5.169 11.450 -5.046 1.00 0.00 C ATOM 1192 O ARG A 76 6.352 11.447 -4.709 1.00 0.00 O ATOM 1193 CB ARG A 76 3.997 13.317 -6.229 1.00 0.00 C ATOM 1194 CG ARG A 76 4.879 14.455 -5.740 1.00 0.00 C ATOM 1195 CD ARG A 76 5.673 15.073 -6.880 1.00 0.00 C ATOM 1196 NE ARG A 76 6.241 16.367 -6.514 1.00 0.00 N ATOM 1197 CZ ARG A 76 7.379 16.508 -5.843 1.00 0.00 C ATOM 1198 NH1 ARG A 76 8.068 15.438 -5.469 1.00 0.00 N ATOM 1199 NH2 ARG A 76 7.830 17.719 -5.546 1.00 0.00 N ATOM 0 H ARG A 76 2.916 11.092 -6.893 1.00 0.00 H new ATOM 0 HA ARG A 76 5.640 12.170 -7.004 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.546 13.601 -7.180 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.181 13.171 -5.521 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.261 15.219 -5.269 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.564 14.084 -4.977 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.475 14.395 -7.172 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.026 15.194 -7.748 1.00 0.00 H new ATOM 0 HE ARG A 76 5.736 17.210 -6.789 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.724 14.505 -5.697 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.941 15.548 -4.954 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.303 18.544 -5.833 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.704 17.826 -5.031 1.00 0.00 H new ATOM 1213 N ALA A 77 4.193 10.990 -4.270 1.00 0.00 N ATOM 1214 CA ALA A 77 4.465 10.441 -2.947 1.00 0.00 C ATOM 1215 C ALA A 77 5.107 9.062 -3.046 1.00 0.00 C ATOM 1216 O ALA A 77 4.822 8.298 -3.968 1.00 0.00 O ATOM 1217 CB ALA A 77 3.182 10.371 -2.131 1.00 0.00 C ATOM 0 H ALA A 77 3.208 10.987 -4.534 1.00 0.00 H new ATOM 0 HA ALA A 77 5.168 11.104 -2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.400 9.959 -1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.765 11.372 -2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.461 9.731 -2.640 1.00 0.00 H new ATOM 1223 N PHE A 78 5.978 8.750 -2.091 1.00 0.00 N ATOM 1224 CA PHE A 78 6.662 7.462 -2.072 1.00 0.00 C ATOM 1225 C PHE A 78 6.579 6.822 -0.689 1.00 0.00 C ATOM 1226 O PHE A 78 6.912 7.448 0.318 1.00 0.00 O ATOM 1227 CB PHE A 78 8.127 7.634 -2.480 1.00 0.00 C ATOM 1228 CG PHE A 78 8.334 7.679 -3.966 1.00 0.00 C ATOM 1229 CD1 PHE A 78 8.304 6.516 -4.719 1.00 0.00 C ATOM 1230 CD2 PHE A 78 8.560 8.885 -4.611 1.00 0.00 C ATOM 1231 CE1 PHE A 78 8.494 6.555 -6.088 1.00 0.00 C ATOM 1232 CE2 PHE A 78 8.750 8.929 -5.980 1.00 0.00 C ATOM 1233 CZ PHE A 78 8.718 7.763 -6.719 1.00 0.00 C ATOM 0 H PHE A 78 6.226 9.371 -1.321 1.00 0.00 H new ATOM 0 HA PHE A 78 6.167 6.805 -2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 78 8.513 8.553 -2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.710 6.812 -2.065 1.00 0.00 H new ATOM 0 HD1 PHE A 78 8.130 5.568 -4.231 1.00 0.00 H new ATOM 0 HD2 PHE A 78 8.588 9.800 -4.038 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.467 5.642 -6.664 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.923 9.875 -6.471 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.868 7.796 -7.788 1.00 0.00 H new ATOM 1243 N PHE A 79 6.131 5.572 -0.649 1.00 0.00 N ATOM 1244 CA PHE A 79 6.002 4.847 0.610 1.00 0.00 C ATOM 1245 C PHE A 79 6.104 3.341 0.383 1.00 0.00 C ATOM 1246 O PHE A 79 5.384 2.776 -0.439 1.00 0.00 O ATOM 1247 CB PHE A 79 4.670 5.183 1.282 1.00 0.00 C ATOM 1248 CG PHE A 79 3.486 5.049 0.368 1.00 0.00 C ATOM 1249 CD1 PHE A 79 3.247 5.992 -0.619 1.00 0.00 C ATOM 1250 CD2 PHE A 79 2.612 3.982 0.495 1.00 0.00 C ATOM 1251 CE1 PHE A 79 2.159 5.872 -1.463 1.00 0.00 C ATOM 1252 CE2 PHE A 79 1.523 3.856 -0.346 1.00 0.00 C ATOM 1253 CZ PHE A 79 1.295 4.803 -1.325 1.00 0.00 C ATOM 0 H PHE A 79 5.851 5.040 -1.473 1.00 0.00 H new ATOM 0 HA PHE A 79 6.819 5.155 1.263 1.00 0.00 H new ATOM 0 HB2 PHE A 79 4.531 4.528 2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.711 6.204 1.662 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.919 6.830 -0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.784 3.240 1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 79 1.985 6.613 -2.229 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.851 3.018 -0.238 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.443 4.708 -1.982 1.00 0.00 H new ATOM 1263 N ASN A 80 7.006 2.698 1.118 1.00 0.00 N ATOM 1264 CA ASN A 80 7.204 1.258 0.996 1.00 0.00 C ATOM 1265 C ASN A 80 7.011 0.567 2.343 1.00 0.00 C ATOM 1266 O ASN A 80 7.079 1.203 3.394 1.00 0.00 O ATOM 1267 CB ASN A 80 8.603 0.959 0.453 1.00 0.00 C ATOM 1268 CG ASN A 80 9.694 1.627 1.267 1.00 0.00 C ATOM 1269 OD1 ASN A 80 9.428 2.231 2.306 1.00 0.00 O ATOM 1270 ND2 ASN A 80 10.932 1.521 0.796 1.00 0.00 N ATOM 0 H ASN A 80 7.611 3.151 1.803 1.00 0.00 H new ATOM 0 HA ASN A 80 6.461 0.871 0.299 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.765 -0.119 0.448 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.668 1.296 -0.582 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.708 1.950 1.300 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.106 1.011 -0.070 1.00 0.00 H new ATOM 1277 N ALA A 81 6.771 -0.739 2.302 1.00 0.00 N ATOM 1278 CA ALA A 81 6.571 -1.518 3.518 1.00 0.00 C ATOM 1279 C ALA A 81 7.744 -2.460 3.766 1.00 0.00 C ATOM 1280 O ALA A 81 8.455 -2.841 2.836 1.00 0.00 O ATOM 1281 CB ALA A 81 5.270 -2.302 3.435 1.00 0.00 C ATOM 0 H ALA A 81 6.710 -1.280 1.440 1.00 0.00 H new ATOM 0 HA ALA A 81 6.512 -0.825 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.134 -2.879 4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.436 -1.611 3.314 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.307 -2.979 2.581 1.00 0.00 H new ATOM 1287 N VAL A 82 7.941 -2.833 5.027 1.00 0.00 N ATOM 1288 CA VAL A 82 9.028 -3.732 5.397 1.00 0.00 C ATOM 1289 C VAL A 82 8.491 -5.023 6.004 1.00 0.00 C ATOM 1290 O VAL A 82 7.718 -4.997 6.962 1.00 0.00 O ATOM 1291 CB VAL A 82 9.989 -3.067 6.400 1.00 0.00 C ATOM 1292 CG1 VAL A 82 11.096 -4.031 6.799 1.00 0.00 C ATOM 1293 CG2 VAL A 82 10.570 -1.789 5.814 1.00 0.00 C ATOM 0 H VAL A 82 7.362 -2.527 5.809 1.00 0.00 H new ATOM 0 HA VAL A 82 9.573 -3.964 4.482 1.00 0.00 H new ATOM 0 HB VAL A 82 9.427 -2.806 7.296 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.765 -3.543 7.508 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.659 -4.916 7.262 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.659 -4.326 5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.247 -1.332 6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.118 -2.023 4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.762 -1.094 5.584 1.00 0.00 H new ATOM 1303 N LYS A 83 8.905 -6.152 5.441 1.00 0.00 N ATOM 1304 CA LYS A 83 8.468 -7.456 5.926 1.00 0.00 C ATOM 1305 C LYS A 83 9.664 -8.346 6.248 1.00 0.00 C ATOM 1306 O LYS A 83 10.758 -8.144 5.722 1.00 0.00 O ATOM 1307 CB LYS A 83 7.577 -8.138 4.886 1.00 0.00 C ATOM 1308 CG LYS A 83 6.935 -9.422 5.383 1.00 0.00 C ATOM 1309 CD LYS A 83 5.828 -9.140 6.385 1.00 0.00 C ATOM 1310 CE LYS A 83 5.364 -10.413 7.076 1.00 0.00 C ATOM 1311 NZ LYS A 83 4.867 -11.423 6.101 1.00 0.00 N ATOM 0 H LYS A 83 9.544 -6.191 4.647 1.00 0.00 H new ATOM 0 HA LYS A 83 7.896 -7.302 6.841 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.793 -7.445 4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.171 -8.358 3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.529 -9.978 4.538 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.693 -10.054 5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.183 -8.429 7.131 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.985 -8.673 5.876 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.189 -10.837 7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.572 -10.173 7.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.421 -12.210 6.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.169 -10.981 5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.664 -11.784 5.538 1.00 0.00 H new ATOM 1325 N GLU A 84 9.447 -9.331 7.114 1.00 0.00 N ATOM 1326 CA GLU A 84 10.509 -10.252 7.504 1.00 0.00 C ATOM 1327 C GLU A 84 11.465 -10.504 6.341 1.00 0.00 C ATOM 1328 O GLU A 84 12.657 -10.211 6.429 1.00 0.00 O ATOM 1329 CB GLU A 84 9.914 -11.577 7.985 1.00 0.00 C ATOM 1330 CG GLU A 84 8.846 -11.412 9.054 1.00 0.00 C ATOM 1331 CD GLU A 84 8.645 -12.670 9.876 1.00 0.00 C ATOM 1332 OE1 GLU A 84 8.223 -13.694 9.299 1.00 0.00 O ATOM 1333 OE2 GLU A 84 8.909 -12.630 11.096 1.00 0.00 O ATOM 0 H GLU A 84 8.547 -9.512 7.558 1.00 0.00 H new ATOM 0 HA GLU A 84 11.069 -9.796 8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.485 -12.104 7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.715 -12.204 8.377 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.123 -10.591 9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.903 -11.137 8.581 1.00 0.00 H new ATOM 1340 N GLY A 85 10.933 -11.050 5.252 1.00 0.00 N ATOM 1341 CA GLY A 85 11.752 -11.333 4.088 1.00 0.00 C ATOM 1342 C GLY A 85 11.116 -10.849 2.800 1.00 0.00 C ATOM 1343 O GLY A 85 11.466 -11.313 1.715 1.00 0.00 O ATOM 0 H GLY A 85 9.949 -11.301 5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.726 -10.859 4.209 1.00 0.00 H new ATOM 0 HA3 GLY A 85 11.926 -12.407 4.022 1.00 0.00 H new ATOM 1347 N ASP A 86 10.179 -9.915 2.920 1.00 0.00 N ATOM 1348 CA ASP A 86 9.492 -9.367 1.756 1.00 0.00 C ATOM 1349 C ASP A 86 9.571 -7.844 1.745 1.00 0.00 C ATOM 1350 O ASP A 86 9.572 -7.204 2.797 1.00 0.00 O ATOM 1351 CB ASP A 86 8.030 -9.815 1.742 1.00 0.00 C ATOM 1352 CG ASP A 86 7.853 -11.195 1.139 1.00 0.00 C ATOM 1353 OD1 ASP A 86 8.680 -12.083 1.434 1.00 0.00 O ATOM 1354 OD2 ASP A 86 6.886 -11.387 0.372 1.00 0.00 O ATOM 0 H ASP A 86 9.878 -9.521 3.811 1.00 0.00 H new ATOM 0 HA ASP A 86 9.988 -9.744 0.862 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.643 -9.815 2.761 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.438 -9.096 1.176 1.00 0.00 H new ATOM 1359 N THR A 87 9.636 -7.268 0.549 1.00 0.00 N ATOM 1360 CA THR A 87 9.717 -5.820 0.401 1.00 0.00 C ATOM 1361 C THR A 87 8.839 -5.335 -0.747 1.00 0.00 C ATOM 1362 O THR A 87 8.867 -5.895 -1.843 1.00 0.00 O ATOM 1363 CB THR A 87 11.167 -5.361 0.153 1.00 0.00 C ATOM 1364 OG1 THR A 87 12.039 -5.945 1.127 1.00 0.00 O ATOM 1365 CG2 THR A 87 11.272 -3.845 0.215 1.00 0.00 C ATOM 0 H THR A 87 9.634 -7.782 -0.332 1.00 0.00 H new ATOM 0 HA THR A 87 9.361 -5.386 1.335 1.00 0.00 H new ATOM 0 HB THR A 87 11.464 -5.690 -0.843 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.959 -5.650 0.962 1.00 0.00 H new ATOM 0 HG21 THR A 87 12.304 -3.544 0.037 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.629 -3.404 -0.547 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.958 -3.498 1.200 1.00 0.00 H new ATOM 1373 N VAL A 88 8.061 -4.289 -0.489 1.00 0.00 N ATOM 1374 CA VAL A 88 7.175 -3.727 -1.502 1.00 0.00 C ATOM 1375 C VAL A 88 7.144 -2.205 -1.420 1.00 0.00 C ATOM 1376 O VAL A 88 7.122 -1.632 -0.331 1.00 0.00 O ATOM 1377 CB VAL A 88 5.740 -4.267 -1.355 1.00 0.00 C ATOM 1378 CG1 VAL A 88 4.833 -3.668 -2.419 1.00 0.00 C ATOM 1379 CG2 VAL A 88 5.734 -5.787 -1.431 1.00 0.00 C ATOM 0 H VAL A 88 8.026 -3.813 0.413 1.00 0.00 H new ATOM 0 HA VAL A 88 7.571 -4.029 -2.472 1.00 0.00 H new ATOM 0 HB VAL A 88 5.357 -3.973 -0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.823 -4.061 -2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.815 -2.583 -2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.210 -3.930 -3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.713 -6.153 -1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.135 -6.105 -2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.350 -6.194 -0.629 1.00 0.00 H new ATOM 1389 N ILE A 89 7.142 -1.556 -2.580 1.00 0.00 N ATOM 1390 CA ILE A 89 7.112 -0.100 -2.640 1.00 0.00 C ATOM 1391 C ILE A 89 5.776 0.401 -3.179 1.00 0.00 C ATOM 1392 O ILE A 89 5.150 -0.249 -4.017 1.00 0.00 O ATOM 1393 CB ILE A 89 8.247 0.451 -3.522 1.00 0.00 C ATOM 1394 CG1 ILE A 89 9.581 -0.190 -3.134 1.00 0.00 C ATOM 1395 CG2 ILE A 89 8.326 1.966 -3.400 1.00 0.00 C ATOM 1396 CD1 ILE A 89 10.570 -0.266 -4.276 1.00 0.00 C ATOM 0 H ILE A 89 7.161 -2.016 -3.490 1.00 0.00 H new ATOM 0 HA ILE A 89 7.248 0.260 -1.620 1.00 0.00 H new ATOM 0 HB ILE A 89 8.033 0.201 -4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 89 10.025 0.380 -2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 89 9.396 -1.196 -2.757 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.133 2.340 -4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.382 2.407 -3.721 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.519 2.238 -2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.492 -0.731 -3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 89 10.146 -0.861 -5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.785 0.739 -4.639 1.00 0.00 H new ATOM 1408 N PHE A 90 5.345 1.560 -2.693 1.00 0.00 N ATOM 1409 CA PHE A 90 4.084 2.149 -3.127 1.00 0.00 C ATOM 1410 C PHE A 90 4.249 3.639 -3.414 1.00 0.00 C ATOM 1411 O PHE A 90 5.231 4.256 -3.004 1.00 0.00 O ATOM 1412 CB PHE A 90 3.006 1.941 -2.061 1.00 0.00 C ATOM 1413 CG PHE A 90 2.719 0.495 -1.773 1.00 0.00 C ATOM 1414 CD1 PHE A 90 3.636 -0.284 -1.086 1.00 0.00 C ATOM 1415 CD2 PHE A 90 1.532 -0.086 -2.191 1.00 0.00 C ATOM 1416 CE1 PHE A 90 3.375 -1.615 -0.819 1.00 0.00 C ATOM 1417 CE2 PHE A 90 1.266 -1.416 -1.926 1.00 0.00 C ATOM 1418 CZ PHE A 90 2.189 -2.182 -1.241 1.00 0.00 C ATOM 0 H PHE A 90 5.850 2.110 -1.998 1.00 0.00 H new ATOM 0 HA PHE A 90 3.778 1.651 -4.047 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.318 2.432 -1.139 1.00 0.00 H new ATOM 0 HB3 PHE A 90 2.086 2.428 -2.386 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.566 0.154 -0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.807 0.507 -2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.098 -2.210 -0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.336 -1.857 -2.255 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.983 -3.222 -1.036 1.00 0.00 H new ATOM 1428 N ALA A 91 3.281 4.209 -4.124 1.00 0.00 N ATOM 1429 CA ALA A 91 3.318 5.626 -4.466 1.00 0.00 C ATOM 1430 C ALA A 91 1.910 6.208 -4.544 1.00 0.00 C ATOM 1431 O ALA A 91 0.924 5.472 -4.568 1.00 0.00 O ATOM 1432 CB ALA A 91 4.051 5.832 -5.783 1.00 0.00 C ATOM 0 H ALA A 91 2.462 3.712 -4.473 1.00 0.00 H new ATOM 0 HA ALA A 91 3.857 6.152 -3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.071 6.894 -6.026 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.072 5.461 -5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.536 5.288 -6.575 1.00 0.00 H new ATOM 1438 N SER A 92 1.825 7.534 -4.584 1.00 0.00 N ATOM 1439 CA SER A 92 0.538 8.215 -4.656 1.00 0.00 C ATOM 1440 C SER A 92 0.611 9.417 -5.593 1.00 0.00 C ATOM 1441 O SER A 92 1.696 9.894 -5.926 1.00 0.00 O ATOM 1442 CB SER A 92 0.098 8.667 -3.262 1.00 0.00 C ATOM 1443 OG SER A 92 -0.666 7.663 -2.617 1.00 0.00 O ATOM 0 H SER A 92 2.632 8.158 -4.568 1.00 0.00 H new ATOM 0 HA SER A 92 -0.196 7.512 -5.051 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.975 8.904 -2.660 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.490 9.581 -3.342 1.00 0.00 H new ATOM 0 HG SER A 92 -0.064 7.020 -2.186 1.00 0.00 H new ATOM 1449 N ASP A 93 -0.552 9.902 -6.014 1.00 0.00 N ATOM 1450 CA ASP A 93 -0.622 11.048 -6.912 1.00 0.00 C ATOM 1451 C ASP A 93 -0.466 12.354 -6.140 1.00 0.00 C ATOM 1452 O ASP A 93 0.185 13.289 -6.606 1.00 0.00 O ATOM 1453 CB ASP A 93 -1.949 11.047 -7.673 1.00 0.00 C ATOM 1454 CG ASP A 93 -1.999 9.981 -8.750 1.00 0.00 C ATOM 1455 OD1 ASP A 93 -1.070 9.936 -9.584 1.00 0.00 O ATOM 1456 OD2 ASP A 93 -2.965 9.190 -8.757 1.00 0.00 O ATOM 0 H ASP A 93 -1.459 9.519 -5.748 1.00 0.00 H new ATOM 0 HA ASP A 93 0.198 10.969 -7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.767 10.888 -6.970 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.105 12.026 -8.127 1.00 0.00 H new ATOM 1461 N ASP A 94 -1.069 12.412 -4.957 1.00 0.00 N ATOM 1462 CA ASP A 94 -0.997 13.603 -4.119 1.00 0.00 C ATOM 1463 C ASP A 94 -0.290 13.299 -2.802 1.00 0.00 C ATOM 1464 O ASP A 94 -0.543 12.271 -2.175 1.00 0.00 O ATOM 1465 CB ASP A 94 -2.401 14.146 -3.846 1.00 0.00 C ATOM 1466 CG ASP A 94 -2.405 15.641 -3.596 1.00 0.00 C ATOM 1467 OD1 ASP A 94 -1.980 16.394 -4.497 1.00 0.00 O ATOM 1468 OD2 ASP A 94 -2.832 16.058 -2.499 1.00 0.00 O ATOM 0 H ASP A 94 -1.613 11.648 -4.557 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.421 14.359 -4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.046 13.921 -4.695 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.823 13.635 -2.981 1.00 0.00 H new ATOM 1473 N GLU A 95 0.596 14.200 -2.390 1.00 0.00 N ATOM 1474 CA GLU A 95 1.340 14.026 -1.148 1.00 0.00 C ATOM 1475 C GLU A 95 0.392 13.838 0.032 1.00 0.00 C ATOM 1476 O GLU A 95 0.708 13.129 0.988 1.00 0.00 O ATOM 1477 CB GLU A 95 2.249 15.231 -0.899 1.00 0.00 C ATOM 1478 CG GLU A 95 3.099 15.105 0.354 1.00 0.00 C ATOM 1479 CD GLU A 95 3.983 16.315 0.584 1.00 0.00 C ATOM 1480 OE1 GLU A 95 4.745 16.676 -0.337 1.00 0.00 O ATOM 1481 OE2 GLU A 95 3.913 16.901 1.685 1.00 0.00 O ATOM 0 H GLU A 95 0.816 15.057 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 95 1.954 13.131 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 95 2.904 15.365 -1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.635 16.129 -0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.448 14.966 1.217 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.722 14.214 0.278 1.00 0.00 H new ATOM 1488 N GLN A 96 -0.770 14.478 -0.041 1.00 0.00 N ATOM 1489 CA GLN A 96 -1.764 14.382 1.021 1.00 0.00 C ATOM 1490 C GLN A 96 -2.276 12.952 1.161 1.00 0.00 C ATOM 1491 O GLN A 96 -2.458 12.453 2.271 1.00 0.00 O ATOM 1492 CB GLN A 96 -2.932 15.330 0.744 1.00 0.00 C ATOM 1493 CG GLN A 96 -4.057 15.223 1.761 1.00 0.00 C ATOM 1494 CD GLN A 96 -5.322 15.925 1.307 1.00 0.00 C ATOM 1495 OE1 GLN A 96 -5.303 17.112 0.980 1.00 0.00 O ATOM 1496 NE2 GLN A 96 -6.430 15.193 1.286 1.00 0.00 N ATOM 0 H GLN A 96 -1.047 15.069 -0.825 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.286 14.670 1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.562 16.355 0.731 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.330 15.122 -0.249 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.276 14.171 1.946 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.728 15.651 2.708 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.399 14.213 1.566 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.312 15.611 0.990 1.00 0.00 H new ATOM 1505 N ASP A 97 -2.506 12.298 0.027 1.00 0.00 N ATOM 1506 CA ASP A 97 -2.996 10.925 0.022 1.00 0.00 C ATOM 1507 C ASP A 97 -2.043 10.005 0.778 1.00 0.00 C ATOM 1508 O ASP A 97 -2.463 9.226 1.633 1.00 0.00 O ATOM 1509 CB ASP A 97 -3.173 10.429 -1.413 1.00 0.00 C ATOM 1510 CG ASP A 97 -4.476 10.897 -2.031 1.00 0.00 C ATOM 1511 OD1 ASP A 97 -4.690 12.125 -2.106 1.00 0.00 O ATOM 1512 OD2 ASP A 97 -5.280 10.035 -2.442 1.00 0.00 O ATOM 0 H ASP A 97 -2.361 12.697 -0.900 1.00 0.00 H new ATOM 0 HA ASP A 97 -3.963 10.909 0.525 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -2.339 10.780 -2.021 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -3.139 9.340 -1.424 1.00 0.00 H new ATOM 1517 N ARG A 98 -0.757 10.100 0.455 1.00 0.00 N ATOM 1518 CA ARG A 98 0.256 9.274 1.102 1.00 0.00 C ATOM 1519 C ARG A 98 0.030 9.217 2.610 1.00 0.00 C ATOM 1520 O ARG A 98 -0.146 8.140 3.181 1.00 0.00 O ATOM 1521 CB ARG A 98 1.654 9.820 0.806 1.00 0.00 C ATOM 1522 CG ARG A 98 2.759 9.115 1.577 1.00 0.00 C ATOM 1523 CD ARG A 98 4.134 9.492 1.049 1.00 0.00 C ATOM 1524 NE ARG A 98 4.422 10.912 1.234 1.00 0.00 N ATOM 1525 CZ ARG A 98 5.607 11.459 0.992 1.00 0.00 C ATOM 1526 NH1 ARG A 98 6.610 10.710 0.555 1.00 0.00 N ATOM 1527 NH2 ARG A 98 5.791 12.759 1.185 1.00 0.00 N ATOM 0 H ARG A 98 -0.392 10.740 -0.250 1.00 0.00 H new ATOM 0 HA ARG A 98 0.175 8.264 0.701 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.852 9.728 -0.262 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.678 10.883 1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.690 9.375 2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.623 8.036 1.504 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.893 8.899 1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.195 9.245 -0.011 1.00 0.00 H new ATOM 0 HE ARG A 98 3.671 11.517 1.568 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.472 9.711 0.404 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.519 11.133 0.370 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.021 13.339 1.520 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.702 13.178 0.999 1.00 0.00 H new ATOM 1541 N ILE A 99 0.036 10.382 3.248 1.00 0.00 N ATOM 1542 CA ILE A 99 -0.170 10.465 4.689 1.00 0.00 C ATOM 1543 C ILE A 99 -1.353 9.608 5.126 1.00 0.00 C ATOM 1544 O ILE A 99 -1.206 8.693 5.936 1.00 0.00 O ATOM 1545 CB ILE A 99 -0.407 11.917 5.142 1.00 0.00 C ATOM 1546 CG1 ILE A 99 0.813 12.782 4.817 1.00 0.00 C ATOM 1547 CG2 ILE A 99 -0.714 11.964 6.631 1.00 0.00 C ATOM 1548 CD1 ILE A 99 0.476 14.237 4.580 1.00 0.00 C ATOM 0 H ILE A 99 0.181 11.282 2.790 1.00 0.00 H new ATOM 0 HA ILE A 99 0.740 10.091 5.159 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.266 12.315 4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 99 1.527 12.712 5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.306 12.383 3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.879 12.997 6.936 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.609 11.377 6.837 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.126 11.551 7.189 1.00 0.00 H new ATOM 0 HD11 ILE A 99 1.388 14.790 4.355 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -0.214 14.319 3.740 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.011 14.653 5.474 1.00 0.00 H new ATOM 1560 N LEU A 100 -2.527 9.910 4.581 1.00 0.00 N ATOM 1561 CA LEU A 100 -3.738 9.166 4.913 1.00 0.00 C ATOM 1562 C LEU A 100 -3.478 7.663 4.887 1.00 0.00 C ATOM 1563 O LEU A 100 -3.847 6.944 5.816 1.00 0.00 O ATOM 1564 CB LEU A 100 -4.860 9.518 3.934 1.00 0.00 C ATOM 1565 CG LEU A 100 -5.224 11.000 3.835 1.00 0.00 C ATOM 1566 CD1 LEU A 100 -6.082 11.258 2.607 1.00 0.00 C ATOM 1567 CD2 LEU A 100 -5.942 11.458 5.096 1.00 0.00 C ATOM 0 H LEU A 100 -2.666 10.664 3.908 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.042 9.446 5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.573 9.168 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.753 8.963 4.222 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.303 11.575 3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.331 12.318 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.532 10.969 1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.999 10.673 2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.193 12.515 5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.855 10.877 5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.292 11.310 5.959 1.00 0.00 H new ATOM 1579 N TRP A 101 -2.840 7.197 3.820 1.00 0.00 N ATOM 1580 CA TRP A 101 -2.528 5.780 3.675 1.00 0.00 C ATOM 1581 C TRP A 101 -1.575 5.317 4.771 1.00 0.00 C ATOM 1582 O TRP A 101 -1.793 4.282 5.402 1.00 0.00 O ATOM 1583 CB TRP A 101 -1.914 5.509 2.301 1.00 0.00 C ATOM 1584 CG TRP A 101 -2.936 5.343 1.216 1.00 0.00 C ATOM 1585 CD1 TRP A 101 -3.333 6.287 0.313 1.00 0.00 C ATOM 1586 CD2 TRP A 101 -3.691 4.162 0.924 1.00 0.00 C ATOM 1587 NE1 TRP A 101 -4.289 5.764 -0.524 1.00 0.00 N ATOM 1588 CE2 TRP A 101 -4.526 4.462 -0.170 1.00 0.00 C ATOM 1589 CE3 TRP A 101 -3.741 2.880 1.478 1.00 0.00 C ATOM 1590 CZ2 TRP A 101 -5.400 3.526 -0.717 1.00 0.00 C ATOM 1591 CZ3 TRP A 101 -4.610 1.953 0.934 1.00 0.00 C ATOM 1592 CH2 TRP A 101 -5.429 2.279 -0.155 1.00 0.00 C ATOM 0 H TRP A 101 -2.529 7.779 3.043 1.00 0.00 H new ATOM 0 HA TRP A 101 -3.458 5.219 3.767 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -1.248 6.331 2.040 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -1.303 4.608 2.355 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -2.952 7.296 0.264 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -4.748 6.264 -1.285 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -3.112 2.618 2.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -6.033 3.776 -1.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -4.659 0.960 1.356 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -6.096 1.532 -0.559 1.00 0.00 H new ATOM 1603 N VAL A 102 -0.516 6.089 4.994 1.00 0.00 N ATOM 1604 CA VAL A 102 0.470 5.759 6.016 1.00 0.00 C ATOM 1605 C VAL A 102 -0.182 5.629 7.388 1.00 0.00 C ATOM 1606 O VAL A 102 0.225 4.802 8.203 1.00 0.00 O ATOM 1607 CB VAL A 102 1.583 6.822 6.087 1.00 0.00 C ATOM 1608 CG1 VAL A 102 2.439 6.617 7.327 1.00 0.00 C ATOM 1609 CG2 VAL A 102 2.436 6.784 4.828 1.00 0.00 C ATOM 0 H VAL A 102 -0.319 6.948 4.480 1.00 0.00 H new ATOM 0 HA VAL A 102 0.909 4.802 5.734 1.00 0.00 H new ATOM 0 HB VAL A 102 1.118 7.806 6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.220 7.377 7.360 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.815 6.699 8.217 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.897 5.628 7.294 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.217 7.541 4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.893 5.799 4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.810 6.984 3.958 1.00 0.00 H new ATOM 1619 N GLN A 103 -1.196 6.451 7.635 1.00 0.00 N ATOM 1620 CA GLN A 103 -1.905 6.428 8.909 1.00 0.00 C ATOM 1621 C GLN A 103 -2.739 5.159 9.045 1.00 0.00 C ATOM 1622 O GLN A 103 -2.764 4.531 10.103 1.00 0.00 O ATOM 1623 CB GLN A 103 -2.803 7.659 9.040 1.00 0.00 C ATOM 1624 CG GLN A 103 -2.038 8.943 9.321 1.00 0.00 C ATOM 1625 CD GLN A 103 -2.948 10.088 9.720 1.00 0.00 C ATOM 1626 OE1 GLN A 103 -3.031 10.449 10.895 1.00 0.00 O ATOM 1627 NE2 GLN A 103 -3.635 10.667 8.743 1.00 0.00 N ATOM 0 H GLN A 103 -1.545 7.141 6.970 1.00 0.00 H new ATOM 0 HA GLN A 103 -1.164 6.441 9.708 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -3.375 7.781 8.120 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.521 7.491 9.842 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.315 8.764 10.117 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.472 9.226 8.434 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -3.535 10.335 7.784 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -4.262 11.444 8.952 1.00 0.00 H new ATOM 1636 N ALA A 104 -3.422 4.787 7.966 1.00 0.00 N ATOM 1637 CA ALA A 104 -4.256 3.592 7.965 1.00 0.00 C ATOM 1638 C ALA A 104 -3.404 2.327 7.938 1.00 0.00 C ATOM 1639 O ALA A 104 -3.470 1.503 8.849 1.00 0.00 O ATOM 1640 CB ALA A 104 -5.208 3.614 6.779 1.00 0.00 C ATOM 0 H ALA A 104 -3.414 5.296 7.082 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.839 3.586 8.886 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.825 2.715 6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.848 4.494 6.842 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.635 3.648 5.853 1.00 0.00 H new ATOM 1646 N MET A 105 -2.604 2.181 6.886 1.00 0.00 N ATOM 1647 CA MET A 105 -1.739 1.016 6.741 1.00 0.00 C ATOM 1648 C MET A 105 -0.928 0.780 8.012 1.00 0.00 C ATOM 1649 O MET A 105 -0.653 -0.362 8.380 1.00 0.00 O ATOM 1650 CB MET A 105 -0.798 1.198 5.549 1.00 0.00 C ATOM 1651 CG MET A 105 -1.521 1.480 4.242 1.00 0.00 C ATOM 1652 SD MET A 105 -0.397 1.953 2.914 1.00 0.00 S ATOM 1653 CE MET A 105 0.347 0.372 2.521 1.00 0.00 C ATOM 0 H MET A 105 -2.537 2.854 6.123 1.00 0.00 H new ATOM 0 HA MET A 105 -2.371 0.145 6.566 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.112 2.019 5.760 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.193 0.299 5.433 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.079 0.593 3.942 1.00 0.00 H new ATOM 0 HG3 MET A 105 -2.248 2.277 4.398 1.00 0.00 H new ATOM 0 HE1 MET A 105 1.029 0.490 1.679 1.00 0.00 H new ATOM 0 HE2 MET A 105 0.899 0.005 3.386 1.00 0.00 H new ATOM 0 HE3 MET A 105 -0.433 -0.342 2.259 1.00 0.00 H new ATOM 1663 N TYR A 106 -0.550 1.865 8.677 1.00 0.00 N ATOM 1664 CA TYR A 106 0.232 1.775 9.905 1.00 0.00 C ATOM 1665 C TYR A 106 -0.501 0.950 10.958 1.00 0.00 C ATOM 1666 O TYR A 106 0.025 -0.042 11.462 1.00 0.00 O ATOM 1667 CB TYR A 106 0.525 3.174 10.450 1.00 0.00 C ATOM 1668 CG TYR A 106 0.704 3.213 11.951 1.00 0.00 C ATOM 1669 CD1 TYR A 106 1.863 2.729 12.546 1.00 0.00 C ATOM 1670 CD2 TYR A 106 -0.287 3.733 12.775 1.00 0.00 C ATOM 1671 CE1 TYR A 106 2.030 2.762 13.917 1.00 0.00 C ATOM 1672 CE2 TYR A 106 -0.128 3.771 14.147 1.00 0.00 C ATOM 1673 CZ TYR A 106 1.032 3.284 14.713 1.00 0.00 C ATOM 1674 OH TYR A 106 1.194 3.320 16.079 1.00 0.00 O ATOM 0 H TYR A 106 -0.772 2.817 8.387 1.00 0.00 H new ATOM 0 HA TYR A 106 1.174 1.278 9.671 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.427 3.558 9.975 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -0.291 3.841 10.172 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.647 2.320 11.926 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -1.197 4.114 12.335 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.937 2.381 14.363 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.908 4.180 14.773 1.00 0.00 H new ATOM 0 HH TYR A 106 0.400 3.719 16.492 1.00 0.00 H new ATOM 1684 N ARG A 107 -1.720 1.367 11.284 1.00 0.00 N ATOM 1685 CA ARG A 107 -2.527 0.668 12.277 1.00 0.00 C ATOM 1686 C ARG A 107 -2.920 -0.720 11.779 1.00 0.00 C ATOM 1687 O ARG A 107 -3.048 -1.659 12.564 1.00 0.00 O ATOM 1688 CB ARG A 107 -3.782 1.477 12.607 1.00 0.00 C ATOM 1689 CG ARG A 107 -3.501 2.941 12.908 1.00 0.00 C ATOM 1690 CD ARG A 107 -4.722 3.633 13.493 1.00 0.00 C ATOM 1691 NE ARG A 107 -4.355 4.718 14.398 1.00 0.00 N ATOM 1692 CZ ARG A 107 -3.849 4.524 15.611 1.00 0.00 C ATOM 1693 NH1 ARG A 107 -3.651 3.292 16.061 1.00 0.00 N ATOM 1694 NH2 ARG A 107 -3.539 5.563 16.376 1.00 0.00 N ATOM 0 H ARG A 107 -2.171 2.186 10.875 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.928 0.555 13.181 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.476 1.414 11.769 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.279 1.027 13.466 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.668 3.017 13.607 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -3.196 3.450 11.993 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -5.337 4.028 12.684 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.330 2.904 14.029 1.00 0.00 H new ATOM 0 HE ARG A 107 -4.495 5.678 14.082 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -3.887 2.491 15.475 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -3.262 3.146 16.993 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -3.689 6.512 16.033 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -3.151 5.413 17.307 1.00 0.00 H new ATOM 1708 N ALA A 108 -3.110 -0.841 10.469 1.00 0.00 N ATOM 1709 CA ALA A 108 -3.487 -2.113 9.866 1.00 0.00 C ATOM 1710 C ALA A 108 -2.472 -3.201 10.199 1.00 0.00 C ATOM 1711 O ALA A 108 -2.839 -4.325 10.541 1.00 0.00 O ATOM 1712 CB ALA A 108 -3.627 -1.962 8.358 1.00 0.00 C ATOM 0 H ALA A 108 -3.009 -0.073 9.805 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.450 -2.412 10.281 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -3.909 -2.920 7.921 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.396 -1.222 8.136 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -2.677 -1.636 7.935 1.00 0.00 H new ATOM 1718 N THR A 109 -1.191 -2.859 10.096 1.00 0.00 N ATOM 1719 CA THR A 109 -0.122 -3.807 10.384 1.00 0.00 C ATOM 1720 C THR A 109 0.123 -3.920 11.884 1.00 0.00 C ATOM 1721 O THR A 109 0.268 -5.019 12.418 1.00 0.00 O ATOM 1722 CB THR A 109 1.192 -3.400 9.690 1.00 0.00 C ATOM 1723 OG1 THR A 109 1.654 -2.149 10.211 1.00 0.00 O ATOM 1724 CG2 THR A 109 0.997 -3.288 8.186 1.00 0.00 C ATOM 0 H THR A 109 -0.869 -1.933 9.815 1.00 0.00 H new ATOM 0 HA THR A 109 -0.444 -4.774 9.997 1.00 0.00 H new ATOM 0 HB THR A 109 1.936 -4.172 9.887 1.00 0.00 H new ATOM 0 HG1 THR A 109 2.606 -2.040 10.005 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.938 -3.000 7.718 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.674 -4.250 7.788 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.239 -2.534 7.972 1.00 0.00 H new ATOM 1732 N GLY A 110 0.167 -2.776 12.560 1.00 0.00 N ATOM 1733 CA GLY A 110 0.394 -2.770 13.994 1.00 0.00 C ATOM 1734 C GLY A 110 1.867 -2.800 14.348 1.00 0.00 C ATOM 1735 O GLY A 110 2.252 -3.339 15.385 1.00 0.00 O ATOM 0 H GLY A 110 0.050 -1.854 12.141 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.062 -1.880 14.427 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.101 -3.632 14.441 1.00 0.00 H new ATOM 1739 N GLN A 111 2.694 -2.222 13.482 1.00 0.00 N ATOM 1740 CA GLN A 111 4.134 -2.187 13.709 1.00 0.00 C ATOM 1741 C GLN A 111 4.453 -1.666 15.106 1.00 0.00 C ATOM 1742 O GLN A 111 3.551 -1.357 15.885 1.00 0.00 O ATOM 1743 CB GLN A 111 4.816 -1.311 12.657 1.00 0.00 C ATOM 1744 CG GLN A 111 4.533 0.173 12.825 1.00 0.00 C ATOM 1745 CD GLN A 111 5.124 1.010 11.707 1.00 0.00 C ATOM 1746 OE1 GLN A 111 6.286 1.414 11.767 1.00 0.00 O ATOM 1747 NE2 GLN A 111 4.326 1.276 10.680 1.00 0.00 N ATOM 0 H GLN A 111 2.392 -1.772 12.618 1.00 0.00 H new ATOM 0 HA GLN A 111 4.514 -3.205 13.626 1.00 0.00 H new ATOM 0 HB2 GLN A 111 5.893 -1.475 12.703 1.00 0.00 H new ATOM 0 HB3 GLN A 111 4.488 -1.625 11.666 1.00 0.00 H new ATOM 0 HG2 GLN A 111 3.455 0.332 12.862 1.00 0.00 H new ATOM 0 HG3 GLN A 111 4.938 0.510 13.779 1.00 0.00 H new ATOM 0 HE21 GLN A 111 3.370 0.921 10.672 1.00 0.00 H new ATOM 0 HE22 GLN A 111 4.669 1.835 9.899 1.00 0.00 H new ATOM 1756 N SER A 112 5.742 -1.571 15.417 1.00 0.00 N ATOM 1757 CA SER A 112 6.180 -1.092 16.723 1.00 0.00 C ATOM 1758 C SER A 112 6.475 0.405 16.681 1.00 0.00 C ATOM 1759 O SER A 112 6.170 1.136 17.623 1.00 0.00 O ATOM 1760 CB SER A 112 7.424 -1.855 17.179 1.00 0.00 C ATOM 1761 OG SER A 112 8.075 -1.182 18.243 1.00 0.00 O ATOM 0 H SER A 112 6.501 -1.819 14.783 1.00 0.00 H new ATOM 0 HA SER A 112 5.374 -1.267 17.436 1.00 0.00 H new ATOM 0 HB2 SER A 112 7.142 -2.858 17.498 1.00 0.00 H new ATOM 0 HB3 SER A 112 8.112 -1.968 16.341 1.00 0.00 H new ATOM 0 HG SER A 112 8.866 -1.691 18.517 1.00 0.00 H new ATOM 1767 N HIS A 113 7.070 0.854 15.580 1.00 0.00 N ATOM 1768 CA HIS A 113 7.406 2.263 15.413 1.00 0.00 C ATOM 1769 C HIS A 113 6.206 3.050 14.896 1.00 0.00 C ATOM 1770 O HIS A 113 5.122 2.498 14.708 1.00 0.00 O ATOM 1771 CB HIS A 113 8.585 2.417 14.452 1.00 0.00 C ATOM 1772 CG HIS A 113 9.675 1.414 14.674 1.00 0.00 C ATOM 1773 ND1 HIS A 113 10.717 1.617 15.553 1.00 0.00 N ATOM 1774 CD2 HIS A 113 9.879 0.194 14.125 1.00 0.00 C ATOM 1775 CE1 HIS A 113 11.517 0.566 15.535 1.00 0.00 C ATOM 1776 NE2 HIS A 113 11.030 -0.313 14.677 1.00 0.00 N ATOM 0 H HIS A 113 7.329 0.262 14.791 1.00 0.00 H new ATOM 0 HA HIS A 113 7.687 2.662 16.387 1.00 0.00 H new ATOM 0 HB2 HIS A 113 8.222 2.326 13.428 1.00 0.00 H new ATOM 0 HB3 HIS A 113 8.999 3.420 14.556 1.00 0.00 H new ATOM 0 HD2 HIS A 113 9.253 -0.291 13.390 1.00 0.00 H new ATOM 0 HE1 HIS A 113 12.416 0.446 16.122 1.00 0.00 H new ATOM 0 HE2 HIS A 113 11.442 -1.221 14.460 1.00 0.00 H new ATOM 1785 N LYS A 114 6.407 4.344 14.669 1.00 0.00 N ATOM 1786 CA LYS A 114 5.342 5.208 14.173 1.00 0.00 C ATOM 1787 C LYS A 114 5.851 6.111 13.054 1.00 0.00 C ATOM 1788 O LYS A 114 6.803 6.874 13.224 1.00 0.00 O ATOM 1789 CB LYS A 114 4.777 6.060 15.313 1.00 0.00 C ATOM 1790 CG LYS A 114 3.814 5.307 16.214 1.00 0.00 C ATOM 1791 CD LYS A 114 3.546 6.067 17.502 1.00 0.00 C ATOM 1792 CE LYS A 114 2.560 7.204 17.283 1.00 0.00 C ATOM 1793 NZ LYS A 114 3.220 8.407 16.706 1.00 0.00 N ATOM 0 H LYS A 114 7.298 4.817 14.821 1.00 0.00 H new ATOM 0 HA LYS A 114 4.550 4.575 13.773 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.602 6.441 15.915 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.265 6.925 14.890 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.875 5.141 15.686 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.226 4.325 16.449 1.00 0.00 H new ATOM 0 HD2 LYS A 114 3.153 5.383 18.254 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.482 6.466 17.892 1.00 0.00 H new ATOM 0 HE2 LYS A 114 1.764 6.871 16.616 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.092 7.467 18.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 2.870 9.260 17.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 4.249 8.334 16.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.002 8.469 15.691 1.00 0.00 H new ATOM 1807 N PRO A 115 5.203 6.026 11.883 1.00 0.00 N ATOM 1808 CA PRO A 115 5.572 6.830 10.714 1.00 0.00 C ATOM 1809 C PRO A 115 5.244 8.308 10.900 1.00 0.00 C ATOM 1810 O PRO A 115 4.174 8.659 11.397 1.00 0.00 O ATOM 1811 CB PRO A 115 4.723 6.231 9.590 1.00 0.00 C ATOM 1812 CG PRO A 115 3.551 5.626 10.282 1.00 0.00 C ATOM 1813 CD PRO A 115 4.060 5.139 11.610 1.00 0.00 C ATOM 0 HA PRO A 115 6.644 6.799 10.520 1.00 0.00 H new ATOM 0 HB2 PRO A 115 4.411 6.996 8.879 1.00 0.00 H new ATOM 0 HB3 PRO A 115 5.281 5.482 9.028 1.00 0.00 H new ATOM 0 HG2 PRO A 115 2.755 6.359 10.414 1.00 0.00 H new ATOM 0 HG3 PRO A 115 3.135 4.805 9.699 1.00 0.00 H new ATOM 0 HD2 PRO A 115 3.298 5.216 12.385 1.00 0.00 H new ATOM 0 HD3 PRO A 115 4.365 4.093 11.565 1.00 0.00 H new ATOM 1821 N VAL A 116 6.172 9.170 10.497 1.00 0.00 N ATOM 1822 CA VAL A 116 5.980 10.611 10.618 1.00 0.00 C ATOM 1823 C VAL A 116 6.025 11.287 9.253 1.00 0.00 C ATOM 1824 O VAL A 116 6.852 10.965 8.399 1.00 0.00 O ATOM 1825 CB VAL A 116 7.049 11.245 11.528 1.00 0.00 C ATOM 1826 CG1 VAL A 116 8.445 10.912 11.024 1.00 0.00 C ATOM 1827 CG2 VAL A 116 6.849 12.750 11.615 1.00 0.00 C ATOM 0 H VAL A 116 7.064 8.896 10.084 1.00 0.00 H new ATOM 0 HA VAL A 116 4.997 10.763 11.064 1.00 0.00 H new ATOM 0 HB VAL A 116 6.942 10.829 12.530 1.00 0.00 H new ATOM 0 HG11 VAL A 116 9.187 11.368 11.679 1.00 0.00 H new ATOM 0 HG12 VAL A 116 8.582 9.831 11.019 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.568 11.298 10.012 1.00 0.00 H new ATOM 0 HG21 VAL A 116 7.613 13.182 12.262 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.928 13.186 10.619 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.862 12.963 12.027 1.00 0.00 H new ATOM 1837 N PRO A 117 5.115 12.249 9.039 1.00 0.00 N ATOM 1838 CA PRO A 117 5.030 12.993 7.778 1.00 0.00 C ATOM 1839 C PRO A 117 6.214 13.933 7.579 1.00 0.00 C ATOM 1840 O PRO A 117 6.610 14.670 8.482 1.00 0.00 O ATOM 1841 CB PRO A 117 3.732 13.791 7.924 1.00 0.00 C ATOM 1842 CG PRO A 117 3.540 13.937 9.394 1.00 0.00 C ATOM 1843 CD PRO A 117 4.099 12.685 10.011 1.00 0.00 C ATOM 0 HA PRO A 117 5.044 12.331 6.912 1.00 0.00 H new ATOM 0 HB2 PRO A 117 3.808 14.763 7.436 1.00 0.00 H new ATOM 0 HB3 PRO A 117 2.893 13.269 7.465 1.00 0.00 H new ATOM 0 HG2 PRO A 117 4.056 14.821 9.769 1.00 0.00 H new ATOM 0 HG3 PRO A 117 2.485 14.056 9.640 1.00 0.00 H new ATOM 0 HD2 PRO A 117 4.537 12.881 10.990 1.00 0.00 H new ATOM 0 HD3 PRO A 117 3.328 11.928 10.153 1.00 0.00 H new ATOM 1851 N PRO A 118 6.793 13.908 6.370 1.00 0.00 N ATOM 1852 CA PRO A 118 7.940 14.754 6.024 1.00 0.00 C ATOM 1853 C PRO A 118 7.563 16.228 5.922 1.00 0.00 C ATOM 1854 O PRO A 118 6.388 16.586 5.998 1.00 0.00 O ATOM 1855 CB PRO A 118 8.377 14.218 4.659 1.00 0.00 C ATOM 1856 CG PRO A 118 7.147 13.605 4.081 1.00 0.00 C ATOM 1857 CD PRO A 118 6.373 13.054 5.247 1.00 0.00 C ATOM 0 HA PRO A 118 8.721 14.712 6.783 1.00 0.00 H new ATOM 0 HB2 PRO A 118 8.757 15.017 4.023 1.00 0.00 H new ATOM 0 HB3 PRO A 118 9.176 13.483 4.759 1.00 0.00 H new ATOM 0 HG2 PRO A 118 6.560 14.346 3.538 1.00 0.00 H new ATOM 0 HG3 PRO A 118 7.400 12.816 3.372 1.00 0.00 H new ATOM 0 HD2 PRO A 118 5.298 13.112 5.079 1.00 0.00 H new ATOM 0 HD3 PRO A 118 6.611 12.006 5.428 1.00 0.00 H new ATOM 1865 N THR A 119 8.569 17.080 5.750 1.00 0.00 N ATOM 1866 CA THR A 119 8.344 18.516 5.638 1.00 0.00 C ATOM 1867 C THR A 119 9.381 19.166 4.730 1.00 0.00 C ATOM 1868 O THR A 119 10.559 19.248 5.077 1.00 0.00 O ATOM 1869 CB THR A 119 8.385 19.200 7.018 1.00 0.00 C ATOM 1870 OG1 THR A 119 8.109 20.598 6.880 1.00 0.00 O ATOM 1871 CG2 THR A 119 9.743 19.009 7.676 1.00 0.00 C ATOM 0 H THR A 119 9.548 16.800 5.685 1.00 0.00 H new ATOM 0 HA THR A 119 7.353 18.648 5.205 1.00 0.00 H new ATOM 0 HB THR A 119 7.625 18.741 7.650 1.00 0.00 H new ATOM 0 HG1 THR A 119 8.135 21.025 7.762 1.00 0.00 H new ATOM 0 HG21 THR A 119 9.748 19.500 8.649 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.938 17.944 7.806 1.00 0.00 H new ATOM 0 HG23 THR A 119 10.518 19.445 7.045 1.00 0.00 H new ATOM 1879 N GLN A 120 8.935 19.628 3.567 1.00 0.00 N ATOM 1880 CA GLN A 120 9.826 20.272 2.609 1.00 0.00 C ATOM 1881 C GLN A 120 10.307 21.621 3.134 1.00 0.00 C ATOM 1882 O GLN A 120 9.502 22.488 3.474 1.00 0.00 O ATOM 1883 CB GLN A 120 9.118 20.457 1.266 1.00 0.00 C ATOM 1884 CG GLN A 120 7.744 21.098 1.385 1.00 0.00 C ATOM 1885 CD GLN A 120 7.229 21.626 0.061 1.00 0.00 C ATOM 1886 OE1 GLN A 120 7.932 22.344 -0.651 1.00 0.00 O ATOM 1887 NE2 GLN A 120 5.995 21.271 -0.278 1.00 0.00 N ATOM 0 H GLN A 120 7.963 19.569 3.265 1.00 0.00 H new ATOM 0 HA GLN A 120 10.694 19.627 2.468 1.00 0.00 H new ATOM 0 HB2 GLN A 120 9.742 21.072 0.618 1.00 0.00 H new ATOM 0 HB3 GLN A 120 9.016 19.486 0.782 1.00 0.00 H new ATOM 0 HG2 GLN A 120 7.039 20.366 1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 120 7.790 21.915 2.105 1.00 0.00 H new ATOM 0 HE21 GLN A 120 5.447 20.674 0.342 1.00 0.00 H new ATOM 0 HE22 GLN A 120 5.595 21.595 -1.159 1.00 0.00 H new ATOM 1896 N SER A 121 11.623 21.790 3.197 1.00 0.00 N ATOM 1897 CA SER A 121 12.212 23.032 3.685 1.00 0.00 C ATOM 1898 C SER A 121 12.388 24.033 2.547 1.00 0.00 C ATOM 1899 O SER A 121 13.473 24.160 1.980 1.00 0.00 O ATOM 1900 CB SER A 121 13.561 22.756 4.350 1.00 0.00 C ATOM 1901 OG SER A 121 14.159 23.955 4.809 1.00 0.00 O ATOM 0 H SER A 121 12.302 21.083 2.916 1.00 0.00 H new ATOM 0 HA SER A 121 11.534 23.461 4.422 1.00 0.00 H new ATOM 0 HB2 SER A 121 13.424 22.071 5.187 1.00 0.00 H new ATOM 0 HB3 SER A 121 14.226 22.263 3.640 1.00 0.00 H new ATOM 0 HG SER A 121 15.019 23.751 5.231 1.00 0.00 H new ATOM 1907 N GLY A 122 11.313 24.743 2.218 1.00 0.00 N ATOM 1908 CA GLY A 122 11.369 25.723 1.150 1.00 0.00 C ATOM 1909 C GLY A 122 11.014 27.118 1.624 1.00 0.00 C ATOM 1910 O GLY A 122 9.873 27.566 1.505 1.00 0.00 O ATOM 0 H GLY A 122 10.404 24.657 2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 122 12.371 25.732 0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 122 10.685 25.428 0.354 1.00 0.00 H new ATOM 1914 N PRO A 123 12.007 27.829 2.179 1.00 0.00 N ATOM 1915 CA PRO A 123 11.817 29.192 2.685 1.00 0.00 C ATOM 1916 C PRO A 123 11.589 30.201 1.565 1.00 0.00 C ATOM 1917 O PRO A 123 11.459 31.399 1.813 1.00 0.00 O ATOM 1918 CB PRO A 123 13.132 29.487 3.411 1.00 0.00 C ATOM 1919 CG PRO A 123 14.135 28.603 2.752 1.00 0.00 C ATOM 1920 CD PRO A 123 13.391 27.358 2.354 1.00 0.00 C ATOM 0 HA PRO A 123 10.935 29.271 3.321 1.00 0.00 H new ATOM 0 HB2 PRO A 123 13.408 30.537 3.318 1.00 0.00 H new ATOM 0 HB3 PRO A 123 13.053 29.271 4.476 1.00 0.00 H new ATOM 0 HG2 PRO A 123 14.573 29.091 1.881 1.00 0.00 H new ATOM 0 HG3 PRO A 123 14.954 28.368 3.431 1.00 0.00 H new ATOM 0 HD2 PRO A 123 13.789 26.929 1.434 1.00 0.00 H new ATOM 0 HD3 PRO A 123 13.459 26.587 3.121 1.00 0.00 H new ATOM 1928 N SER A 124 11.541 29.707 0.332 1.00 0.00 N ATOM 1929 CA SER A 124 11.331 30.566 -0.828 1.00 0.00 C ATOM 1930 C SER A 124 10.101 31.447 -0.636 1.00 0.00 C ATOM 1931 O SER A 124 9.043 30.973 -0.222 1.00 0.00 O ATOM 1932 CB SER A 124 11.176 29.721 -2.094 1.00 0.00 C ATOM 1933 OG SER A 124 12.388 29.065 -2.422 1.00 0.00 O ATOM 0 H SER A 124 11.645 28.717 0.110 1.00 0.00 H new ATOM 0 HA SER A 124 12.204 31.210 -0.935 1.00 0.00 H new ATOM 0 HB2 SER A 124 10.388 28.983 -1.948 1.00 0.00 H new ATOM 0 HB3 SER A 124 10.867 30.357 -2.924 1.00 0.00 H new ATOM 0 HG SER A 124 12.261 28.531 -3.234 1.00 0.00 H new ATOM 1939 N SER A 125 10.248 32.733 -0.941 1.00 0.00 N ATOM 1940 CA SER A 125 9.150 33.682 -0.799 1.00 0.00 C ATOM 1941 C SER A 125 7.856 33.105 -1.365 1.00 0.00 C ATOM 1942 O SER A 125 7.853 32.477 -2.423 1.00 0.00 O ATOM 1943 CB SER A 125 9.489 34.995 -1.507 1.00 0.00 C ATOM 1944 OG SER A 125 9.544 34.818 -2.912 1.00 0.00 O ATOM 0 H SER A 125 11.116 33.141 -1.288 1.00 0.00 H new ATOM 0 HA SER A 125 9.006 33.877 0.264 1.00 0.00 H new ATOM 0 HB2 SER A 125 8.740 35.748 -1.261 1.00 0.00 H new ATOM 0 HB3 SER A 125 10.447 35.369 -1.147 1.00 0.00 H new ATOM 0 HG SER A 125 9.761 35.672 -3.341 1.00 0.00 H new ATOM 1950 N GLY A 126 6.756 33.324 -0.650 1.00 0.00 N ATOM 1951 CA GLY A 126 5.470 32.819 -1.096 1.00 0.00 C ATOM 1952 C GLY A 126 5.244 31.374 -0.697 1.00 0.00 C ATOM 1953 O GLY A 126 4.446 31.087 0.194 1.00 0.00 O ATOM 0 H GLY A 126 6.732 33.841 0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.676 33.437 -0.677 1.00 0.00 H new ATOM 0 HA3 GLY A 126 5.405 32.908 -2.180 1.00 0.00 H new TER 1957 GLY A 126