USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 686 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 53 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 67 GLN : amide:sc= 0 X(o=0,f=0.11) USER MOD Set 2.1: A 36 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 41 GLN : amide:sc= 0.0564 X(o=0.056,f=0.18) USER MOD Set 3.1: A 18 TYR OH : rot -80:sc= 0.8 USER MOD Set 3.2: A 43 TYR OH : rot 180:sc= 1.1 USER MOD Set 4.1: A 7 TYR OH : rot 30:sc= 0.48 USER MOD Set 4.2: A 9 GLN : amide:sc= 0.393 X(o=0.87,f=0.9) USER MOD Single : A 1 GLY N :NH3+ 159:sc= 0.00753 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -59:sc= 1.28 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 20 TYR OH : rot -33:sc= -0.0265 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc=-0.00447 X(o=-0.0045,f=0) USER MOD Single : A 32 THR OG1 : rot -150:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 40 SER OG : rot 71:sc= 1.29 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.64) USER MOD Single : A 47 GLN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0.6 K(o=0.6,f=-0.25) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.0192 USER MOD Single : A 68 SER OG : rot -43:sc= 0.331 USER MOD Single : A 72 HIS : no HD1:sc=-0.00203 X(o=-0.002,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= 0.00922 K(o=0.0092,f=-0.6) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.391 27.184 -1.402 1.00 0.00 N ATOM 2 CA GLY A 1 23.110 25.994 -1.870 1.00 0.00 C ATOM 3 C GLY A 1 22.522 24.783 -1.181 1.00 0.00 C ATOM 4 O GLY A 1 22.456 24.792 0.046 1.00 0.00 O ATOM 0 H1 GLY A 1 22.975 28.029 -1.565 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.496 27.276 -1.923 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.192 27.092 -0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.020 25.897 -2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.173 26.080 -1.645 1.00 0.00 H new ATOM 8 N HIS A 2 22.103 23.768 -1.939 1.00 0.00 N ATOM 9 CA HIS A 2 21.466 22.573 -1.410 1.00 0.00 C ATOM 10 C HIS A 2 22.157 21.359 -2.010 1.00 0.00 C ATOM 11 O HIS A 2 22.580 21.397 -3.169 1.00 0.00 O ATOM 12 CB HIS A 2 19.977 22.577 -1.767 1.00 0.00 C ATOM 13 CG HIS A 2 19.214 23.699 -1.112 1.00 0.00 C ATOM 14 ND1 HIS A 2 18.751 23.715 0.181 1.00 0.00 N ATOM 15 CD2 HIS A 2 18.865 24.888 -1.687 1.00 0.00 C ATOM 16 CE1 HIS A 2 18.164 24.904 0.396 1.00 0.00 C ATOM 17 NE2 HIS A 2 18.221 25.662 -0.715 1.00 0.00 N ATOM 0 H HIS A 2 22.201 23.759 -2.954 1.00 0.00 H new ATOM 0 HA HIS A 2 21.553 22.544 -0.324 1.00 0.00 H new ATOM 0 HB2 HIS A 2 19.869 22.656 -2.849 1.00 0.00 H new ATOM 0 HB3 HIS A 2 19.536 21.625 -1.471 1.00 0.00 H new ATOM 0 HD2 HIS A 2 19.053 25.179 -2.710 1.00 0.00 H new ATOM 0 HE1 HIS A 2 17.711 25.209 1.328 1.00 0.00 H new ATOM 0 HE2 HIS A 2 17.866 26.612 -0.826 1.00 0.00 H new ATOM 25 N MET A 3 22.240 20.290 -1.229 1.00 0.00 N ATOM 26 CA MET A 3 22.625 18.948 -1.621 1.00 0.00 C ATOM 27 C MET A 3 22.128 17.992 -0.528 1.00 0.00 C ATOM 28 O MET A 3 21.345 18.389 0.339 1.00 0.00 O ATOM 29 CB MET A 3 24.144 18.860 -1.866 1.00 0.00 C ATOM 30 CG MET A 3 25.033 19.163 -0.660 1.00 0.00 C ATOM 31 SD MET A 3 26.682 18.430 -0.845 1.00 0.00 S ATOM 32 CE MET A 3 27.264 18.594 0.862 1.00 0.00 C ATOM 0 H MET A 3 22.024 20.346 -0.234 1.00 0.00 H new ATOM 0 HA MET A 3 22.168 18.665 -2.570 1.00 0.00 H new ATOM 0 HB2 MET A 3 24.378 17.857 -2.222 1.00 0.00 H new ATOM 0 HB3 MET A 3 24.404 19.551 -2.668 1.00 0.00 H new ATOM 0 HG2 MET A 3 25.126 20.242 -0.537 1.00 0.00 H new ATOM 0 HG3 MET A 3 24.563 18.779 0.245 1.00 0.00 H new ATOM 0 HE1 MET A 3 28.274 18.191 0.942 1.00 0.00 H new ATOM 0 HE2 MET A 3 27.269 19.647 1.145 1.00 0.00 H new ATOM 0 HE3 MET A 3 26.600 18.043 1.527 1.00 0.00 H new ATOM 42 N GLN A 4 22.563 16.732 -0.575 1.00 0.00 N ATOM 43 CA GLN A 4 22.326 15.750 0.477 1.00 0.00 C ATOM 44 C GLN A 4 22.927 16.223 1.809 1.00 0.00 C ATOM 45 O GLN A 4 23.748 17.139 1.841 1.00 0.00 O ATOM 46 CB GLN A 4 22.930 14.403 0.061 1.00 0.00 C ATOM 47 CG GLN A 4 22.349 13.870 -1.255 1.00 0.00 C ATOM 48 CD GLN A 4 23.004 12.548 -1.612 1.00 0.00 C ATOM 49 OE1 GLN A 4 22.518 11.490 -1.222 1.00 0.00 O ATOM 50 NE2 GLN A 4 24.103 12.563 -2.334 1.00 0.00 N ATOM 0 H GLN A 4 23.099 16.362 -1.360 1.00 0.00 H new ATOM 0 HA GLN A 4 21.252 15.633 0.619 1.00 0.00 H new ATOM 0 HB2 GLN A 4 24.010 14.511 -0.042 1.00 0.00 H new ATOM 0 HB3 GLN A 4 22.756 13.673 0.851 1.00 0.00 H new ATOM 0 HG2 GLN A 4 21.271 13.738 -1.159 1.00 0.00 H new ATOM 0 HG3 GLN A 4 22.512 14.594 -2.054 1.00 0.00 H new ATOM 0 HE21 GLN A 4 24.494 13.451 -2.650 1.00 0.00 H new ATOM 0 HE22 GLN A 4 24.565 11.687 -2.578 1.00 0.00 H new ATOM 59 N GLU A 5 22.538 15.592 2.920 1.00 0.00 N ATOM 60 CA GLU A 5 22.979 16.022 4.246 1.00 0.00 C ATOM 61 C GLU A 5 23.100 14.802 5.160 1.00 0.00 C ATOM 62 O GLU A 5 24.162 14.177 5.192 1.00 0.00 O ATOM 63 CB GLU A 5 22.083 17.160 4.799 1.00 0.00 C ATOM 64 CG GLU A 5 20.633 17.070 4.301 1.00 0.00 C ATOM 65 CD GLU A 5 19.655 18.010 5.004 1.00 0.00 C ATOM 66 OE1 GLU A 5 19.913 19.236 5.073 1.00 0.00 O ATOM 67 OE2 GLU A 5 18.614 17.509 5.485 1.00 0.00 O ATOM 0 H GLU A 5 21.918 14.782 2.926 1.00 0.00 H new ATOM 0 HA GLU A 5 23.973 16.466 4.187 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.091 17.126 5.888 1.00 0.00 H new ATOM 0 HB3 GLU A 5 22.504 18.122 4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 5 20.617 17.284 3.232 1.00 0.00 H new ATOM 0 HG3 GLU A 5 20.284 16.045 4.426 1.00 0.00 H new ATOM 74 N SER A 6 22.014 14.392 5.816 1.00 0.00 N ATOM 75 CA SER A 6 22.034 13.317 6.808 1.00 0.00 C ATOM 76 C SER A 6 20.627 12.751 7.065 1.00 0.00 C ATOM 77 O SER A 6 20.407 12.021 8.031 1.00 0.00 O ATOM 78 CB SER A 6 22.654 13.894 8.098 1.00 0.00 C ATOM 79 OG SER A 6 23.414 12.936 8.813 1.00 0.00 O ATOM 0 H SER A 6 21.090 14.799 5.673 1.00 0.00 H new ATOM 0 HA SER A 6 22.629 12.480 6.441 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.291 14.741 7.843 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.859 14.275 8.740 1.00 0.00 H new ATOM 0 HG SER A 6 23.786 13.350 9.620 1.00 0.00 H new ATOM 85 N TYR A 7 19.648 13.104 6.229 1.00 0.00 N ATOM 86 CA TYR A 7 18.234 12.874 6.518 1.00 0.00 C ATOM 87 C TYR A 7 17.886 11.394 6.371 1.00 0.00 C ATOM 88 O TYR A 7 17.019 10.903 7.096 1.00 0.00 O ATOM 89 CB TYR A 7 17.333 13.768 5.647 1.00 0.00 C ATOM 90 CG TYR A 7 17.250 13.402 4.174 1.00 0.00 C ATOM 91 CD1 TYR A 7 18.172 13.928 3.249 1.00 0.00 C ATOM 92 CD2 TYR A 7 16.238 12.531 3.725 1.00 0.00 C ATOM 93 CE1 TYR A 7 18.112 13.554 1.893 1.00 0.00 C ATOM 94 CE2 TYR A 7 16.169 12.158 2.373 1.00 0.00 C ATOM 95 CZ TYR A 7 17.116 12.653 1.456 1.00 0.00 C ATOM 96 OH TYR A 7 17.167 12.150 0.197 1.00 0.00 O ATOM 0 H TYR A 7 19.816 13.558 5.331 1.00 0.00 H new ATOM 0 HA TYR A 7 18.048 13.152 7.555 1.00 0.00 H new ATOM 0 HB2 TYR A 7 16.326 13.748 6.063 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.690 14.795 5.726 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.930 14.622 3.582 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.511 12.148 4.425 1.00 0.00 H new ATOM 0 HE1 TYR A 7 18.826 13.955 1.189 1.00 0.00 H new ATOM 0 HE2 TYR A 7 15.389 11.491 2.036 1.00 0.00 H new ATOM 0 HH TYR A 7 18.101 12.093 -0.095 1.00 0.00 H new ATOM 106 N SER A 8 18.623 10.703 5.499 1.00 0.00 N ATOM 107 CA SER A 8 18.569 9.296 5.160 1.00 0.00 C ATOM 108 C SER A 8 17.215 8.859 4.591 1.00 0.00 C ATOM 109 O SER A 8 16.161 9.446 4.857 1.00 0.00 O ATOM 110 CB SER A 8 19.139 8.477 6.326 1.00 0.00 C ATOM 111 OG SER A 8 18.227 7.592 6.951 1.00 0.00 O ATOM 0 H SER A 8 19.348 11.176 4.960 1.00 0.00 H new ATOM 0 HA SER A 8 19.218 9.087 4.309 1.00 0.00 H new ATOM 0 HB2 SER A 8 19.988 7.899 5.961 1.00 0.00 H new ATOM 0 HB3 SER A 8 19.523 9.166 7.078 1.00 0.00 H new ATOM 0 HG SER A 8 18.680 7.115 7.678 1.00 0.00 H new ATOM 117 N GLN A 9 17.240 7.836 3.738 1.00 0.00 N ATOM 118 CA GLN A 9 16.060 7.321 3.072 1.00 0.00 C ATOM 119 C GLN A 9 16.251 5.849 2.717 1.00 0.00 C ATOM 120 O GLN A 9 17.270 5.255 3.072 1.00 0.00 O ATOM 121 CB GLN A 9 15.692 8.228 1.889 1.00 0.00 C ATOM 122 CG GLN A 9 16.504 8.022 0.611 1.00 0.00 C ATOM 123 CD GLN A 9 17.994 8.280 0.762 1.00 0.00 C ATOM 124 OE1 GLN A 9 18.793 7.358 0.885 1.00 0.00 O ATOM 125 NE2 GLN A 9 18.416 9.527 0.710 1.00 0.00 N ATOM 0 H GLN A 9 18.096 7.339 3.491 1.00 0.00 H new ATOM 0 HA GLN A 9 15.200 7.344 3.741 1.00 0.00 H new ATOM 0 HB2 GLN A 9 14.638 8.077 1.655 1.00 0.00 H new ATOM 0 HB3 GLN A 9 15.803 9.266 2.204 1.00 0.00 H new ATOM 0 HG2 GLN A 9 16.359 6.999 0.264 1.00 0.00 H new ATOM 0 HG3 GLN A 9 16.111 8.680 -0.164 1.00 0.00 H new ATOM 0 HE21 GLN A 9 17.745 10.289 0.608 1.00 0.00 H new ATOM 0 HE22 GLN A 9 19.413 9.731 0.772 1.00 0.00 H new ATOM 134 N TYR A 10 15.250 5.258 2.075 1.00 0.00 N ATOM 135 CA TYR A 10 15.129 3.819 1.874 1.00 0.00 C ATOM 136 C TYR A 10 15.950 3.348 0.664 1.00 0.00 C ATOM 137 O TYR A 10 16.310 4.169 -0.188 1.00 0.00 O ATOM 138 CB TYR A 10 13.640 3.501 1.686 1.00 0.00 C ATOM 139 CG TYR A 10 12.901 3.346 2.998 1.00 0.00 C ATOM 140 CD1 TYR A 10 12.459 4.478 3.708 1.00 0.00 C ATOM 141 CD2 TYR A 10 12.717 2.059 3.538 1.00 0.00 C ATOM 142 CE1 TYR A 10 11.873 4.329 4.977 1.00 0.00 C ATOM 143 CE2 TYR A 10 12.139 1.899 4.805 1.00 0.00 C ATOM 144 CZ TYR A 10 11.747 3.038 5.537 1.00 0.00 C ATOM 145 OH TYR A 10 11.251 2.878 6.789 1.00 0.00 O ATOM 0 H TYR A 10 14.476 5.783 1.667 1.00 0.00 H new ATOM 0 HA TYR A 10 15.525 3.289 2.740 1.00 0.00 H new ATOM 0 HB2 TYR A 10 13.174 4.296 1.104 1.00 0.00 H new ATOM 0 HB3 TYR A 10 13.540 2.583 1.108 1.00 0.00 H new ATOM 0 HD1 TYR A 10 12.570 5.462 3.277 1.00 0.00 H new ATOM 0 HD2 TYR A 10 13.023 1.191 2.973 1.00 0.00 H new ATOM 0 HE1 TYR A 10 11.522 5.194 5.520 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.995 0.911 5.217 1.00 0.00 H new ATOM 0 HH TYR A 10 11.233 1.924 7.014 1.00 0.00 H new ATOM 155 N PRO A 11 16.199 2.028 0.542 1.00 0.00 N ATOM 156 CA PRO A 11 16.685 1.403 -0.684 1.00 0.00 C ATOM 157 C PRO A 11 15.618 1.512 -1.783 1.00 0.00 C ATOM 158 O PRO A 11 14.471 1.872 -1.505 1.00 0.00 O ATOM 159 CB PRO A 11 17.001 -0.049 -0.308 1.00 0.00 C ATOM 160 CG PRO A 11 16.015 -0.334 0.819 1.00 0.00 C ATOM 161 CD PRO A 11 15.921 1.008 1.541 1.00 0.00 C ATOM 0 HA PRO A 11 17.575 1.888 -1.084 1.00 0.00 H new ATOM 0 HB2 PRO A 11 16.857 -0.725 -1.151 1.00 0.00 H new ATOM 0 HB3 PRO A 11 18.034 -0.165 0.020 1.00 0.00 H new ATOM 0 HG2 PRO A 11 15.046 -0.655 0.436 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.374 -1.123 1.479 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.931 1.148 1.975 1.00 0.00 H new ATOM 0 HD3 PRO A 11 16.638 1.060 2.360 1.00 0.00 H new ATOM 169 N VAL A 12 15.984 1.171 -3.019 1.00 0.00 N ATOM 170 CA VAL A 12 15.187 1.389 -4.227 1.00 0.00 C ATOM 171 C VAL A 12 14.679 0.029 -4.729 1.00 0.00 C ATOM 172 O VAL A 12 15.396 -0.628 -5.489 1.00 0.00 O ATOM 173 CB VAL A 12 16.015 2.156 -5.282 1.00 0.00 C ATOM 174 CG1 VAL A 12 15.165 2.488 -6.515 1.00 0.00 C ATOM 175 CG2 VAL A 12 16.599 3.455 -4.706 1.00 0.00 C ATOM 0 H VAL A 12 16.877 0.718 -3.214 1.00 0.00 H new ATOM 0 HA VAL A 12 14.318 2.012 -4.014 1.00 0.00 H new ATOM 0 HB VAL A 12 16.836 1.502 -5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 12 15.773 3.028 -7.241 1.00 0.00 H new ATOM 0 HG12 VAL A 12 14.798 1.565 -6.963 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.319 3.108 -6.218 1.00 0.00 H new ATOM 0 HG21 VAL A 12 17.175 3.968 -5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 12 15.788 4.101 -4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 12 17.249 3.219 -3.863 1.00 0.00 H new ATOM 185 N PRO A 13 13.539 -0.482 -4.238 1.00 0.00 N ATOM 186 CA PRO A 13 13.085 -1.812 -4.592 1.00 0.00 C ATOM 187 C PRO A 13 12.496 -1.815 -6.009 1.00 0.00 C ATOM 188 O PRO A 13 12.174 -0.764 -6.575 1.00 0.00 O ATOM 189 CB PRO A 13 12.037 -2.137 -3.531 1.00 0.00 C ATOM 190 CG PRO A 13 11.365 -0.783 -3.297 1.00 0.00 C ATOM 191 CD PRO A 13 12.541 0.185 -3.417 1.00 0.00 C ATOM 0 HA PRO A 13 13.884 -2.553 -4.609 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.327 -2.887 -3.880 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.491 -2.527 -2.620 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.592 -0.579 -4.038 1.00 0.00 H new ATOM 0 HG3 PRO A 13 10.890 -0.728 -2.317 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.227 1.123 -3.874 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.946 0.428 -2.435 1.00 0.00 H new ATOM 199 N ASP A 14 12.295 -3.011 -6.557 1.00 0.00 N ATOM 200 CA ASP A 14 11.631 -3.238 -7.832 1.00 0.00 C ATOM 201 C ASP A 14 10.802 -4.508 -7.685 1.00 0.00 C ATOM 202 O ASP A 14 11.338 -5.533 -7.247 1.00 0.00 O ATOM 203 CB ASP A 14 12.668 -3.399 -8.954 1.00 0.00 C ATOM 204 CG ASP A 14 12.042 -3.486 -10.345 1.00 0.00 C ATOM 205 OD1 ASP A 14 10.822 -3.719 -10.480 1.00 0.00 O ATOM 206 OD2 ASP A 14 12.784 -3.350 -11.343 1.00 0.00 O ATOM 0 H ASP A 14 12.601 -3.875 -6.109 1.00 0.00 H new ATOM 0 HA ASP A 14 10.996 -2.392 -8.094 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.358 -2.556 -8.926 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.256 -4.298 -8.770 1.00 0.00 H new ATOM 211 N VAL A 15 9.520 -4.452 -8.054 1.00 0.00 N ATOM 212 CA VAL A 15 8.607 -5.592 -8.058 1.00 0.00 C ATOM 213 C VAL A 15 9.166 -6.773 -8.862 1.00 0.00 C ATOM 214 O VAL A 15 8.878 -7.923 -8.527 1.00 0.00 O ATOM 215 CB VAL A 15 7.200 -5.138 -8.511 1.00 0.00 C ATOM 216 CG1 VAL A 15 7.176 -4.585 -9.944 1.00 0.00 C ATOM 217 CG2 VAL A 15 6.163 -6.260 -8.379 1.00 0.00 C ATOM 0 H VAL A 15 9.079 -3.587 -8.367 1.00 0.00 H new ATOM 0 HA VAL A 15 8.508 -5.972 -7.041 1.00 0.00 H new ATOM 0 HB VAL A 15 6.934 -4.326 -7.835 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.160 -4.284 -10.201 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.838 -3.722 -10.012 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.512 -5.356 -10.637 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.190 -5.896 -8.708 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.462 -7.107 -8.997 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.099 -6.576 -7.338 1.00 0.00 H new ATOM 227 N SER A 16 10.063 -6.519 -9.823 1.00 0.00 N ATOM 228 CA SER A 16 10.846 -7.520 -10.547 1.00 0.00 C ATOM 229 C SER A 16 11.452 -8.577 -9.612 1.00 0.00 C ATOM 230 O SER A 16 11.644 -9.725 -10.020 1.00 0.00 O ATOM 231 CB SER A 16 11.953 -6.737 -11.272 1.00 0.00 C ATOM 232 OG SER A 16 12.812 -7.518 -12.073 1.00 0.00 O ATOM 0 H SER A 16 10.269 -5.568 -10.128 1.00 0.00 H new ATOM 0 HA SER A 16 10.212 -8.073 -11.239 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.488 -5.977 -11.900 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.552 -6.213 -10.528 1.00 0.00 H new ATOM 0 HG SER A 16 13.481 -6.940 -12.495 1.00 0.00 H new ATOM 238 N THR A 17 11.745 -8.204 -8.365 1.00 0.00 N ATOM 239 CA THR A 17 12.476 -9.007 -7.403 1.00 0.00 C ATOM 240 C THR A 17 11.589 -9.520 -6.255 1.00 0.00 C ATOM 241 O THR A 17 12.100 -10.137 -5.316 1.00 0.00 O ATOM 242 CB THR A 17 13.674 -8.178 -6.903 1.00 0.00 C ATOM 243 OG1 THR A 17 13.288 -7.033 -6.155 1.00 0.00 O ATOM 244 CG2 THR A 17 14.585 -7.693 -8.035 1.00 0.00 C ATOM 0 H THR A 17 11.465 -7.298 -7.990 1.00 0.00 H new ATOM 0 HA THR A 17 12.837 -9.913 -7.890 1.00 0.00 H new ATOM 0 HB THR A 17 14.216 -8.874 -6.263 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.724 -6.455 -6.710 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.409 -7.115 -7.617 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.982 -8.552 -8.576 1.00 0.00 H new ATOM 0 HG23 THR A 17 14.013 -7.066 -8.719 1.00 0.00 H new ATOM 252 N TYR A 18 10.283 -9.235 -6.270 1.00 0.00 N ATOM 253 CA TYR A 18 9.362 -9.655 -5.220 1.00 0.00 C ATOM 254 C TYR A 18 9.008 -11.132 -5.375 1.00 0.00 C ATOM 255 O TYR A 18 9.429 -11.806 -6.322 1.00 0.00 O ATOM 256 CB TYR A 18 8.119 -8.753 -5.224 1.00 0.00 C ATOM 257 CG TYR A 18 8.346 -7.310 -4.809 1.00 0.00 C ATOM 258 CD1 TYR A 18 9.592 -6.851 -4.337 1.00 0.00 C ATOM 259 CD2 TYR A 18 7.273 -6.411 -4.901 1.00 0.00 C ATOM 260 CE1 TYR A 18 9.777 -5.496 -4.030 1.00 0.00 C ATOM 261 CE2 TYR A 18 7.451 -5.044 -4.632 1.00 0.00 C ATOM 262 CZ TYR A 18 8.711 -4.579 -4.195 1.00 0.00 C ATOM 263 OH TYR A 18 8.911 -3.266 -3.899 1.00 0.00 O ATOM 0 H TYR A 18 9.837 -8.703 -7.017 1.00 0.00 H new ATOM 0 HA TYR A 18 9.845 -9.546 -4.249 1.00 0.00 H new ATOM 0 HB2 TYR A 18 7.692 -8.760 -6.227 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.375 -9.190 -4.558 1.00 0.00 H new ATOM 0 HD1 TYR A 18 10.408 -7.547 -4.211 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.296 -6.775 -5.183 1.00 0.00 H new ATOM 0 HE1 TYR A 18 10.734 -5.151 -3.667 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.630 -4.353 -4.758 1.00 0.00 H new ATOM 0 HH TYR A 18 8.846 -3.135 -2.930 1.00 0.00 H new ATOM 273 N GLN A 19 8.248 -11.646 -4.418 1.00 0.00 N ATOM 274 CA GLN A 19 7.852 -13.042 -4.319 1.00 0.00 C ATOM 275 C GLN A 19 6.339 -13.097 -4.445 1.00 0.00 C ATOM 276 O GLN A 19 5.634 -12.657 -3.545 1.00 0.00 O ATOM 277 CB GLN A 19 8.331 -13.605 -2.973 1.00 0.00 C ATOM 278 CG GLN A 19 9.858 -13.767 -2.928 1.00 0.00 C ATOM 279 CD GLN A 19 10.381 -14.235 -1.570 1.00 0.00 C ATOM 280 OE1 GLN A 19 9.661 -14.787 -0.736 1.00 0.00 O ATOM 281 NE2 GLN A 19 11.659 -14.012 -1.318 1.00 0.00 N ATOM 0 H GLN A 19 7.875 -11.077 -3.658 1.00 0.00 H new ATOM 0 HA GLN A 19 8.299 -13.647 -5.107 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.013 -12.942 -2.169 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.858 -14.571 -2.795 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.162 -14.482 -3.692 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.324 -12.814 -3.180 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.244 -13.554 -2.017 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.060 -14.298 -0.425 1.00 0.00 H new ATOM 290 N TYR A 20 5.831 -13.560 -5.581 1.00 0.00 N ATOM 291 CA TYR A 20 4.399 -13.721 -5.760 1.00 0.00 C ATOM 292 C TYR A 20 3.878 -14.813 -4.822 1.00 0.00 C ATOM 293 O TYR A 20 4.552 -15.820 -4.591 1.00 0.00 O ATOM 294 CB TYR A 20 4.137 -14.064 -7.221 1.00 0.00 C ATOM 295 CG TYR A 20 2.683 -14.009 -7.630 1.00 0.00 C ATOM 296 CD1 TYR A 20 2.051 -12.757 -7.731 1.00 0.00 C ATOM 297 CD2 TYR A 20 1.969 -15.184 -7.930 1.00 0.00 C ATOM 298 CE1 TYR A 20 0.713 -12.666 -8.141 1.00 0.00 C ATOM 299 CE2 TYR A 20 0.626 -15.098 -8.336 1.00 0.00 C ATOM 300 CZ TYR A 20 -0.015 -13.841 -8.423 1.00 0.00 C ATOM 301 OH TYR A 20 -1.329 -13.770 -8.772 1.00 0.00 O ATOM 0 H TYR A 20 6.391 -13.829 -6.389 1.00 0.00 H new ATOM 0 HA TYR A 20 3.872 -12.800 -5.512 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.704 -13.377 -7.849 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.519 -15.065 -7.419 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.600 -11.859 -7.491 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.451 -16.147 -7.849 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.241 -11.700 -8.241 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.081 -15.997 -8.583 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.751 -13.017 -8.308 1.00 0.00 H new ATOM 311 N ASP A 21 2.645 -14.660 -4.349 1.00 0.00 N ATOM 312 CA ASP A 21 1.942 -15.617 -3.500 1.00 0.00 C ATOM 313 C ASP A 21 0.527 -15.752 -4.049 1.00 0.00 C ATOM 314 O ASP A 21 -0.395 -15.056 -3.622 1.00 0.00 O ATOM 315 CB ASP A 21 1.965 -15.220 -2.006 1.00 0.00 C ATOM 316 CG ASP A 21 2.571 -16.307 -1.113 1.00 0.00 C ATOM 317 OD1 ASP A 21 2.291 -17.506 -1.328 1.00 0.00 O ATOM 318 OD2 ASP A 21 3.299 -15.982 -0.153 1.00 0.00 O ATOM 0 H ASP A 21 2.085 -13.832 -4.555 1.00 0.00 H new ATOM 0 HA ASP A 21 2.448 -16.582 -3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.536 -14.299 -1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.948 -15.009 -1.675 1.00 0.00 H new ATOM 323 N GLU A 22 0.368 -16.642 -5.027 1.00 0.00 N ATOM 324 CA GLU A 22 -0.881 -16.977 -5.720 1.00 0.00 C ATOM 325 C GLU A 22 -2.048 -17.280 -4.772 1.00 0.00 C ATOM 326 O GLU A 22 -3.191 -16.964 -5.091 1.00 0.00 O ATOM 327 CB GLU A 22 -0.669 -18.172 -6.668 1.00 0.00 C ATOM 328 CG GLU A 22 0.335 -19.197 -6.140 1.00 0.00 C ATOM 329 CD GLU A 22 0.211 -20.530 -6.855 1.00 0.00 C ATOM 330 OE1 GLU A 22 0.795 -20.665 -7.953 1.00 0.00 O ATOM 331 OE2 GLU A 22 -0.415 -21.438 -6.269 1.00 0.00 O ATOM 0 H GLU A 22 1.156 -17.184 -5.381 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.153 -16.087 -6.287 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.626 -18.666 -6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.326 -17.803 -7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.347 -18.811 -6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.178 -19.342 -5.071 1.00 0.00 H new ATOM 338 N THR A 23 -1.762 -17.848 -3.601 1.00 0.00 N ATOM 339 CA THR A 23 -2.741 -18.189 -2.574 1.00 0.00 C ATOM 340 C THR A 23 -3.505 -16.958 -2.057 1.00 0.00 C ATOM 341 O THR A 23 -4.602 -17.118 -1.519 1.00 0.00 O ATOM 342 CB THR A 23 -2.034 -19.012 -1.479 1.00 0.00 C ATOM 343 OG1 THR A 23 -2.875 -19.379 -0.401 1.00 0.00 O ATOM 344 CG2 THR A 23 -0.791 -18.329 -0.909 1.00 0.00 C ATOM 0 H THR A 23 -0.808 -18.091 -3.334 1.00 0.00 H new ATOM 0 HA THR A 23 -3.528 -18.811 -3.000 1.00 0.00 H new ATOM 0 HB THR A 23 -1.734 -19.915 -2.010 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.361 -19.898 0.252 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.345 -18.965 -0.144 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.069 -18.162 -1.708 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.071 -17.373 -0.468 1.00 0.00 H new ATOM 352 N SER A 24 -2.990 -15.742 -2.265 1.00 0.00 N ATOM 353 CA SER A 24 -3.831 -14.548 -2.334 1.00 0.00 C ATOM 354 C SER A 24 -3.917 -14.064 -3.784 1.00 0.00 C ATOM 355 O SER A 24 -5.005 -13.839 -4.311 1.00 0.00 O ATOM 356 CB SER A 24 -3.276 -13.459 -1.416 1.00 0.00 C ATOM 357 OG SER A 24 -3.415 -13.825 -0.054 1.00 0.00 O ATOM 0 H SER A 24 -1.994 -15.561 -2.388 1.00 0.00 H new ATOM 0 HA SER A 24 -4.837 -14.790 -1.992 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.224 -13.287 -1.645 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.800 -12.521 -1.600 1.00 0.00 H new ATOM 0 HG SER A 24 -3.052 -13.114 0.514 1.00 0.00 H new ATOM 363 N GLY A 25 -2.770 -13.918 -4.446 1.00 0.00 N ATOM 364 CA GLY A 25 -2.627 -13.320 -5.762 1.00 0.00 C ATOM 365 C GLY A 25 -1.771 -12.062 -5.728 1.00 0.00 C ATOM 366 O GLY A 25 -1.752 -11.331 -6.714 1.00 0.00 O ATOM 0 H GLY A 25 -1.879 -14.229 -4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.179 -14.044 -6.442 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.613 -13.077 -6.159 1.00 0.00 H new ATOM 370 N TYR A 26 -1.114 -11.769 -4.608 1.00 0.00 N ATOM 371 CA TYR A 26 -0.339 -10.553 -4.407 1.00 0.00 C ATOM 372 C TYR A 26 1.140 -10.892 -4.475 1.00 0.00 C ATOM 373 O TYR A 26 1.531 -12.061 -4.446 1.00 0.00 O ATOM 374 CB TYR A 26 -0.715 -9.934 -3.044 1.00 0.00 C ATOM 375 CG TYR A 26 -1.833 -8.904 -3.122 1.00 0.00 C ATOM 376 CD1 TYR A 26 -2.955 -9.126 -3.946 1.00 0.00 C ATOM 377 CD2 TYR A 26 -1.735 -7.691 -2.413 1.00 0.00 C ATOM 378 CE1 TYR A 26 -3.930 -8.133 -4.110 1.00 0.00 C ATOM 379 CE2 TYR A 26 -2.731 -6.704 -2.542 1.00 0.00 C ATOM 380 CZ TYR A 26 -3.823 -6.915 -3.416 1.00 0.00 C ATOM 381 OH TYR A 26 -4.770 -5.960 -3.615 1.00 0.00 O ATOM 0 H TYR A 26 -1.107 -12.388 -3.797 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.559 -9.822 -5.185 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.016 -10.731 -2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.169 -9.464 -2.613 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.064 -10.072 -4.456 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.889 -7.516 -1.765 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.766 -8.304 -4.772 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.661 -5.788 -1.975 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.563 -5.175 -3.067 1.00 0.00 H new ATOM 391 N TYR A 27 1.955 -9.852 -4.537 1.00 0.00 N ATOM 392 CA TYR A 27 3.390 -9.938 -4.355 1.00 0.00 C ATOM 393 C TYR A 27 3.684 -9.667 -2.891 1.00 0.00 C ATOM 394 O TYR A 27 2.959 -8.909 -2.249 1.00 0.00 O ATOM 395 CB TYR A 27 4.089 -8.927 -5.264 1.00 0.00 C ATOM 396 CG TYR A 27 3.936 -9.266 -6.732 1.00 0.00 C ATOM 397 CD1 TYR A 27 2.814 -8.811 -7.452 1.00 0.00 C ATOM 398 CD2 TYR A 27 4.880 -10.103 -7.356 1.00 0.00 C ATOM 399 CE1 TYR A 27 2.641 -9.187 -8.795 1.00 0.00 C ATOM 400 CE2 TYR A 27 4.704 -10.489 -8.694 1.00 0.00 C ATOM 401 CZ TYR A 27 3.581 -10.029 -9.417 1.00 0.00 C ATOM 402 OH TYR A 27 3.355 -10.427 -10.694 1.00 0.00 O ATOM 0 H TYR A 27 1.627 -8.904 -4.720 1.00 0.00 H new ATOM 0 HA TYR A 27 3.763 -10.926 -4.624 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.680 -7.933 -5.079 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.149 -8.888 -5.012 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.087 -8.173 -6.972 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.742 -10.449 -6.804 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.786 -8.829 -9.350 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.426 -11.136 -9.170 1.00 0.00 H new ATOM 0 HH TYR A 27 4.089 -11.004 -10.992 1.00 0.00 H new ATOM 412 N TYR A 28 4.724 -10.312 -2.383 1.00 0.00 N ATOM 413 CA TYR A 28 5.308 -10.101 -1.082 1.00 0.00 C ATOM 414 C TYR A 28 6.686 -9.497 -1.305 1.00 0.00 C ATOM 415 O TYR A 28 7.463 -9.972 -2.146 1.00 0.00 O ATOM 416 CB TYR A 28 5.426 -11.436 -0.338 1.00 0.00 C ATOM 417 CG TYR A 28 6.257 -11.341 0.926 1.00 0.00 C ATOM 418 CD1 TYR A 28 5.989 -10.333 1.873 1.00 0.00 C ATOM 419 CD2 TYR A 28 7.352 -12.205 1.110 1.00 0.00 C ATOM 420 CE1 TYR A 28 6.803 -10.203 3.010 1.00 0.00 C ATOM 421 CE2 TYR A 28 8.170 -12.075 2.243 1.00 0.00 C ATOM 422 CZ TYR A 28 7.884 -11.088 3.212 1.00 0.00 C ATOM 423 OH TYR A 28 8.633 -11.018 4.347 1.00 0.00 O ATOM 0 H TYR A 28 5.207 -11.041 -2.908 1.00 0.00 H new ATOM 0 HA TYR A 28 4.689 -9.437 -0.478 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.428 -11.793 -0.084 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.870 -12.177 -1.002 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.157 -9.660 1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 28 7.564 -12.970 0.378 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.602 -9.425 3.731 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.019 -12.730 2.374 1.00 0.00 H new ATOM 0 HH TYR A 28 9.334 -11.703 4.319 1.00 0.00 H new ATOM 433 N ASP A 29 7.001 -8.481 -0.511 1.00 0.00 N ATOM 434 CA ASP A 29 8.062 -7.540 -0.744 1.00 0.00 C ATOM 435 C ASP A 29 9.055 -7.619 0.419 1.00 0.00 C ATOM 436 O ASP A 29 9.078 -6.741 1.286 1.00 0.00 O ATOM 437 CB ASP A 29 7.507 -6.125 -1.012 1.00 0.00 C ATOM 438 CG ASP A 29 6.096 -5.993 -1.608 1.00 0.00 C ATOM 439 OD1 ASP A 29 5.658 -6.849 -2.411 1.00 0.00 O ATOM 440 OD2 ASP A 29 5.457 -4.981 -1.262 1.00 0.00 O ATOM 0 H ASP A 29 6.492 -8.292 0.352 1.00 0.00 H new ATOM 0 HA ASP A 29 8.608 -7.796 -1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.521 -5.579 -0.069 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.200 -5.619 -1.684 1.00 0.00 H new ATOM 445 N PRO A 30 9.938 -8.636 0.471 1.00 0.00 N ATOM 446 CA PRO A 30 10.873 -8.819 1.582 1.00 0.00 C ATOM 447 C PRO A 30 11.872 -7.669 1.733 1.00 0.00 C ATOM 448 O PRO A 30 12.557 -7.576 2.754 1.00 0.00 O ATOM 449 CB PRO A 30 11.623 -10.122 1.300 1.00 0.00 C ATOM 450 CG PRO A 30 11.431 -10.357 -0.197 1.00 0.00 C ATOM 451 CD PRO A 30 10.079 -9.715 -0.493 1.00 0.00 C ATOM 0 HA PRO A 30 10.315 -8.846 2.518 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.679 -10.036 1.556 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.219 -10.947 1.886 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.229 -9.897 -0.780 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.431 -11.420 -0.439 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.041 -9.336 -1.514 1.00 0.00 H new ATOM 0 HD3 PRO A 30 9.271 -10.439 -0.391 1.00 0.00 H new ATOM 459 N GLN A 31 11.964 -6.780 0.739 1.00 0.00 N ATOM 460 CA GLN A 31 12.782 -5.583 0.803 1.00 0.00 C ATOM 461 C GLN A 31 12.303 -4.645 1.920 1.00 0.00 C ATOM 462 O GLN A 31 13.084 -3.801 2.364 1.00 0.00 O ATOM 463 CB GLN A 31 12.736 -4.860 -0.557 1.00 0.00 C ATOM 464 CG GLN A 31 13.606 -5.522 -1.641 1.00 0.00 C ATOM 465 CD GLN A 31 15.084 -5.160 -1.483 1.00 0.00 C ATOM 466 OE1 GLN A 31 15.542 -4.148 -2.009 1.00 0.00 O ATOM 467 NE2 GLN A 31 15.848 -5.946 -0.742 1.00 0.00 N ATOM 0 H GLN A 31 11.461 -6.881 -0.143 1.00 0.00 H new ATOM 0 HA GLN A 31 13.808 -5.872 1.029 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.703 -4.824 -0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.063 -3.829 -0.421 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.489 -6.605 -1.590 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.259 -5.210 -2.626 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.453 -6.783 -0.312 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.832 -5.715 -0.601 1.00 0.00 H new ATOM 476 N THR A 32 11.057 -4.793 2.381 1.00 0.00 N ATOM 477 CA THR A 32 10.488 -3.993 3.455 1.00 0.00 C ATOM 478 C THR A 32 9.584 -4.784 4.403 1.00 0.00 C ATOM 479 O THR A 32 9.400 -4.361 5.548 1.00 0.00 O ATOM 480 CB THR A 32 9.692 -2.833 2.848 1.00 0.00 C ATOM 481 OG1 THR A 32 8.927 -3.259 1.736 1.00 0.00 O ATOM 482 CG2 THR A 32 10.618 -1.685 2.449 1.00 0.00 C ATOM 0 H THR A 32 10.409 -5.486 2.007 1.00 0.00 H new ATOM 0 HA THR A 32 11.325 -3.633 4.054 1.00 0.00 H new ATOM 0 HB THR A 32 9.004 -2.472 3.613 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.826 -2.516 1.105 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.029 -0.874 2.021 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.148 -1.322 3.330 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.339 -2.038 1.712 1.00 0.00 H new ATOM 490 N GLY A 33 9.015 -5.905 3.958 1.00 0.00 N ATOM 491 CA GLY A 33 7.931 -6.562 4.662 1.00 0.00 C ATOM 492 C GLY A 33 6.612 -5.839 4.379 1.00 0.00 C ATOM 493 O GLY A 33 5.822 -5.572 5.291 1.00 0.00 O ATOM 0 H GLY A 33 9.298 -6.377 3.099 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.860 -7.603 4.347 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.131 -6.566 5.733 1.00 0.00 H new ATOM 497 N LEU A 34 6.387 -5.471 3.118 1.00 0.00 N ATOM 498 CA LEU A 34 5.090 -5.049 2.593 1.00 0.00 C ATOM 499 C LEU A 34 4.602 -6.117 1.611 1.00 0.00 C ATOM 500 O LEU A 34 5.287 -7.120 1.391 1.00 0.00 O ATOM 501 CB LEU A 34 5.198 -3.674 1.910 1.00 0.00 C ATOM 502 CG LEU A 34 5.771 -2.558 2.802 1.00 0.00 C ATOM 503 CD1 LEU A 34 6.094 -1.325 1.958 1.00 0.00 C ATOM 504 CD2 LEU A 34 4.789 -2.170 3.909 1.00 0.00 C ATOM 0 H LEU A 34 7.124 -5.458 2.413 1.00 0.00 H new ATOM 0 HA LEU A 34 4.373 -4.945 3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.826 -3.771 1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.208 -3.375 1.567 1.00 0.00 H new ATOM 0 HG LEU A 34 6.682 -2.938 3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.499 -0.541 2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.829 -1.587 1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.185 -0.966 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.224 -1.380 4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.860 -1.814 3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.582 -3.039 4.533 1.00 0.00 H new ATOM 516 N TYR A 35 3.413 -5.910 1.055 1.00 0.00 N ATOM 517 CA TYR A 35 2.896 -6.633 -0.093 1.00 0.00 C ATOM 518 C TYR A 35 2.541 -5.603 -1.167 1.00 0.00 C ATOM 519 O TYR A 35 2.163 -4.476 -0.834 1.00 0.00 O ATOM 520 CB TYR A 35 1.642 -7.421 0.313 1.00 0.00 C ATOM 521 CG TYR A 35 1.928 -8.679 1.099 1.00 0.00 C ATOM 522 CD1 TYR A 35 2.328 -8.608 2.444 1.00 0.00 C ATOM 523 CD2 TYR A 35 1.836 -9.926 0.461 1.00 0.00 C ATOM 524 CE1 TYR A 35 2.694 -9.776 3.129 1.00 0.00 C ATOM 525 CE2 TYR A 35 2.203 -11.097 1.134 1.00 0.00 C ATOM 526 CZ TYR A 35 2.665 -11.024 2.467 1.00 0.00 C ATOM 527 OH TYR A 35 3.094 -12.132 3.133 1.00 0.00 O ATOM 0 H TYR A 35 2.762 -5.208 1.407 1.00 0.00 H new ATOM 0 HA TYR A 35 3.637 -7.337 -0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.997 -6.774 0.907 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.086 -7.686 -0.586 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.354 -7.654 2.950 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.479 -9.982 -0.557 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.998 -9.721 4.164 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.133 -12.053 0.636 1.00 0.00 H new ATOM 0 HH TYR A 35 3.014 -12.916 2.550 1.00 0.00 H new ATOM 537 N TYR A 36 2.545 -6.004 -2.433 1.00 0.00 N ATOM 538 CA TYR A 36 2.270 -5.158 -3.588 1.00 0.00 C ATOM 539 C TYR A 36 1.243 -5.851 -4.493 1.00 0.00 C ATOM 540 O TYR A 36 1.139 -7.083 -4.496 1.00 0.00 O ATOM 541 CB TYR A 36 3.610 -4.895 -4.289 1.00 0.00 C ATOM 542 CG TYR A 36 3.507 -4.280 -5.667 1.00 0.00 C ATOM 543 CD1 TYR A 36 3.345 -5.116 -6.785 1.00 0.00 C ATOM 544 CD2 TYR A 36 3.562 -2.886 -5.834 1.00 0.00 C ATOM 545 CE1 TYR A 36 3.240 -4.568 -8.071 1.00 0.00 C ATOM 546 CE2 TYR A 36 3.514 -2.327 -7.127 1.00 0.00 C ATOM 547 CZ TYR A 36 3.359 -3.176 -8.251 1.00 0.00 C ATOM 548 OH TYR A 36 3.324 -2.676 -9.518 1.00 0.00 O ATOM 0 H TYR A 36 2.749 -6.969 -2.694 1.00 0.00 H new ATOM 0 HA TYR A 36 1.833 -4.200 -3.305 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.208 -4.237 -3.659 1.00 0.00 H new ATOM 0 HB3 TYR A 36 4.151 -5.838 -4.369 1.00 0.00 H new ATOM 0 HD1 TYR A 36 3.301 -6.187 -6.653 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.641 -2.242 -4.971 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.068 -5.211 -8.921 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.595 -1.258 -7.260 1.00 0.00 H new ATOM 0 HH TYR A 36 2.769 -3.254 -10.083 1.00 0.00 H new ATOM 558 N ASP A 37 0.510 -5.077 -5.302 1.00 0.00 N ATOM 559 CA ASP A 37 -0.440 -5.602 -6.287 1.00 0.00 C ATOM 560 C ASP A 37 -0.150 -5.013 -7.676 1.00 0.00 C ATOM 561 O ASP A 37 0.200 -3.834 -7.797 1.00 0.00 O ATOM 562 CB ASP A 37 -1.863 -5.236 -5.873 1.00 0.00 C ATOM 563 CG ASP A 37 -2.923 -5.709 -6.872 1.00 0.00 C ATOM 564 OD1 ASP A 37 -3.261 -6.910 -6.911 1.00 0.00 O ATOM 565 OD2 ASP A 37 -3.371 -4.864 -7.681 1.00 0.00 O ATOM 0 H ASP A 37 0.561 -4.058 -5.290 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.335 -6.686 -6.330 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.074 -5.672 -4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.935 -4.154 -5.762 1.00 0.00 H new ATOM 570 N PRO A 38 -0.326 -5.787 -8.757 1.00 0.00 N ATOM 571 CA PRO A 38 -0.012 -5.341 -10.111 1.00 0.00 C ATOM 572 C PRO A 38 -1.024 -4.340 -10.685 1.00 0.00 C ATOM 573 O PRO A 38 -0.632 -3.453 -11.455 1.00 0.00 O ATOM 574 CB PRO A 38 0.063 -6.625 -10.949 1.00 0.00 C ATOM 575 CG PRO A 38 -0.834 -7.593 -10.174 1.00 0.00 C ATOM 576 CD PRO A 38 -0.556 -7.218 -8.738 1.00 0.00 C ATOM 0 HA PRO A 38 0.925 -4.785 -10.120 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.298 -6.466 -11.965 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.085 -6.997 -11.028 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.886 -7.465 -10.430 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.580 -8.633 -10.378 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.398 -7.473 -8.094 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.313 -7.751 -8.353 1.00 0.00 H new ATOM 584 N ASN A 39 -2.307 -4.422 -10.318 1.00 0.00 N ATOM 585 CA ASN A 39 -3.279 -3.385 -10.660 1.00 0.00 C ATOM 586 C ASN A 39 -3.070 -2.162 -9.770 1.00 0.00 C ATOM 587 O ASN A 39 -3.348 -1.042 -10.193 1.00 0.00 O ATOM 588 CB ASN A 39 -4.716 -3.911 -10.488 1.00 0.00 C ATOM 589 CG ASN A 39 -5.283 -4.430 -11.795 1.00 0.00 C ATOM 590 OD1 ASN A 39 -5.519 -3.662 -12.721 1.00 0.00 O ATOM 591 ND2 ASN A 39 -5.463 -5.730 -11.933 1.00 0.00 N ATOM 0 H ASN A 39 -2.695 -5.199 -9.783 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.131 -3.104 -11.703 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.725 -4.709 -9.745 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.353 -3.113 -10.107 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.802 -6.107 -12.818 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.263 -6.358 -11.155 1.00 0.00 H new ATOM 598 N SER A 40 -2.581 -2.374 -8.548 1.00 0.00 N ATOM 599 CA SER A 40 -2.738 -1.446 -7.440 1.00 0.00 C ATOM 600 C SER A 40 -1.381 -1.179 -6.791 1.00 0.00 C ATOM 601 O SER A 40 -0.979 -1.840 -5.838 1.00 0.00 O ATOM 602 CB SER A 40 -3.785 -1.979 -6.444 1.00 0.00 C ATOM 603 OG SER A 40 -4.797 -2.758 -7.069 1.00 0.00 O ATOM 0 H SER A 40 -2.056 -3.213 -8.301 1.00 0.00 H new ATOM 0 HA SER A 40 -3.112 -0.490 -7.805 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.285 -2.583 -5.687 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.248 -1.139 -5.927 1.00 0.00 H new ATOM 0 HG SER A 40 -4.420 -3.616 -7.355 1.00 0.00 H new ATOM 609 N GLN A 41 -0.668 -0.164 -7.278 1.00 0.00 N ATOM 610 CA GLN A 41 0.674 0.207 -6.814 1.00 0.00 C ATOM 611 C GLN A 41 0.679 0.770 -5.370 1.00 0.00 C ATOM 612 O GLN A 41 1.686 1.317 -4.914 1.00 0.00 O ATOM 613 CB GLN A 41 1.315 1.170 -7.823 1.00 0.00 C ATOM 614 CG GLN A 41 1.797 0.502 -9.121 1.00 0.00 C ATOM 615 CD GLN A 41 0.739 -0.218 -9.961 1.00 0.00 C ATOM 616 OE1 GLN A 41 0.130 0.349 -10.868 1.00 0.00 O ATOM 617 NE2 GLN A 41 0.508 -1.498 -9.721 1.00 0.00 N ATOM 0 H GLN A 41 -1.013 0.439 -8.024 1.00 0.00 H new ATOM 0 HA GLN A 41 1.279 -0.698 -6.763 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.593 1.946 -8.075 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.162 1.665 -7.347 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.263 1.266 -9.743 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.574 -0.218 -8.864 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.009 -1.975 -8.971 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.171 -2.008 -10.286 1.00 0.00 H new ATOM 626 N TYR A 42 -0.439 0.672 -4.651 1.00 0.00 N ATOM 627 CA TYR A 42 -0.584 0.953 -3.235 1.00 0.00 C ATOM 628 C TYR A 42 -0.108 -0.290 -2.483 1.00 0.00 C ATOM 629 O TYR A 42 -0.745 -1.346 -2.562 1.00 0.00 O ATOM 630 CB TYR A 42 -2.058 1.277 -2.931 1.00 0.00 C ATOM 631 CG TYR A 42 -2.620 2.361 -3.822 1.00 0.00 C ATOM 632 CD1 TYR A 42 -2.244 3.696 -3.610 1.00 0.00 C ATOM 633 CD2 TYR A 42 -3.464 2.033 -4.898 1.00 0.00 C ATOM 634 CE1 TYR A 42 -2.751 4.718 -4.424 1.00 0.00 C ATOM 635 CE2 TYR A 42 -3.933 3.044 -5.752 1.00 0.00 C ATOM 636 CZ TYR A 42 -3.589 4.392 -5.513 1.00 0.00 C ATOM 637 OH TYR A 42 -4.076 5.364 -6.328 1.00 0.00 O ATOM 0 H TYR A 42 -1.318 0.375 -5.074 1.00 0.00 H new ATOM 0 HA TYR A 42 0.007 1.815 -2.925 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.655 0.372 -3.048 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.149 1.587 -1.890 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.558 3.938 -2.812 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.751 1.006 -5.067 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.502 5.749 -4.220 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.559 2.789 -6.594 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.633 4.958 -7.024 1.00 0.00 H new ATOM 647 N TYR A 43 1.002 -0.186 -1.759 1.00 0.00 N ATOM 648 CA TYR A 43 1.609 -1.288 -1.027 1.00 0.00 C ATOM 649 C TYR A 43 0.858 -1.560 0.279 1.00 0.00 C ATOM 650 O TYR A 43 0.730 -0.675 1.128 1.00 0.00 O ATOM 651 CB TYR A 43 3.046 -0.938 -0.670 1.00 0.00 C ATOM 652 CG TYR A 43 4.061 -1.020 -1.800 1.00 0.00 C ATOM 653 CD1 TYR A 43 4.064 -0.130 -2.897 1.00 0.00 C ATOM 654 CD2 TYR A 43 5.084 -1.970 -1.692 1.00 0.00 C ATOM 655 CE1 TYR A 43 5.113 -0.164 -3.838 1.00 0.00 C ATOM 656 CE2 TYR A 43 6.101 -2.050 -2.649 1.00 0.00 C ATOM 657 CZ TYR A 43 6.131 -1.142 -3.727 1.00 0.00 C ATOM 658 OH TYR A 43 7.143 -1.225 -4.638 1.00 0.00 O ATOM 0 H TYR A 43 1.516 0.690 -1.664 1.00 0.00 H new ATOM 0 HA TYR A 43 1.569 -2.171 -1.665 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.062 0.075 -0.269 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.371 -1.602 0.131 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.259 0.580 -3.015 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.088 -2.653 -0.855 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.140 0.555 -4.643 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.865 -2.809 -2.562 1.00 0.00 H new ATOM 0 HH TYR A 43 7.745 -1.958 -4.392 1.00 0.00 H new ATOM 668 N TYR A 44 0.410 -2.798 0.460 1.00 0.00 N ATOM 669 CA TYR A 44 -0.303 -3.265 1.634 1.00 0.00 C ATOM 670 C TYR A 44 0.699 -3.488 2.769 1.00 0.00 C ATOM 671 O TYR A 44 1.622 -4.301 2.685 1.00 0.00 O ATOM 672 CB TYR A 44 -1.098 -4.523 1.274 1.00 0.00 C ATOM 673 CG TYR A 44 -1.870 -5.146 2.408 1.00 0.00 C ATOM 674 CD1 TYR A 44 -3.070 -4.543 2.818 1.00 0.00 C ATOM 675 CD2 TYR A 44 -1.384 -6.286 3.067 1.00 0.00 C ATOM 676 CE1 TYR A 44 -3.842 -5.118 3.848 1.00 0.00 C ATOM 677 CE2 TYR A 44 -2.127 -6.860 4.110 1.00 0.00 C ATOM 678 CZ TYR A 44 -3.367 -6.289 4.477 1.00 0.00 C ATOM 679 OH TYR A 44 -4.032 -6.759 5.552 1.00 0.00 O ATOM 0 H TYR A 44 0.541 -3.530 -0.238 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.023 -2.524 1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.796 -4.275 0.475 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.408 -5.266 0.875 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.404 -3.633 2.341 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.440 -6.720 2.772 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.778 -4.672 4.150 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.754 -7.731 4.628 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.592 -7.571 5.880 1.00 0.00 H new ATOM 689 N ASN A 45 0.518 -2.752 3.858 1.00 0.00 N ATOM 690 CA ASN A 45 1.367 -2.776 5.048 1.00 0.00 C ATOM 691 C ASN A 45 0.842 -3.805 6.024 1.00 0.00 C ATOM 692 O ASN A 45 0.059 -3.485 6.924 1.00 0.00 O ATOM 693 CB ASN A 45 1.447 -1.409 5.721 1.00 0.00 C ATOM 694 CG ASN A 45 2.221 -1.471 7.024 1.00 0.00 C ATOM 695 OD1 ASN A 45 3.295 -2.060 7.089 1.00 0.00 O ATOM 696 ND2 ASN A 45 1.700 -0.881 8.087 1.00 0.00 N ATOM 0 H ASN A 45 -0.256 -2.093 3.942 1.00 0.00 H new ATOM 0 HA ASN A 45 2.376 -3.043 4.734 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.925 -0.699 5.047 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.440 -1.038 5.913 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.192 -0.911 8.980 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.806 -0.396 8.014 1.00 0.00 H new ATOM 703 N ALA A 46 1.227 -5.058 5.821 1.00 0.00 N ATOM 704 CA ALA A 46 0.714 -6.191 6.581 1.00 0.00 C ATOM 705 C ALA A 46 0.827 -6.035 8.107 1.00 0.00 C ATOM 706 O ALA A 46 -0.008 -6.578 8.828 1.00 0.00 O ATOM 707 CB ALA A 46 1.462 -7.436 6.108 1.00 0.00 C ATOM 0 H ALA A 46 1.914 -5.320 5.114 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.357 -6.266 6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.103 -8.307 6.657 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.288 -7.582 5.042 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.530 -7.309 6.287 1.00 0.00 H new ATOM 713 N GLN A 47 1.792 -5.234 8.580 1.00 0.00 N ATOM 714 CA GLN A 47 2.037 -4.928 9.984 1.00 0.00 C ATOM 715 C GLN A 47 0.735 -4.436 10.624 1.00 0.00 C ATOM 716 O GLN A 47 0.134 -5.131 11.450 1.00 0.00 O ATOM 717 CB GLN A 47 3.190 -3.892 10.089 1.00 0.00 C ATOM 718 CG GLN A 47 4.295 -4.381 11.035 1.00 0.00 C ATOM 719 CD GLN A 47 5.524 -3.458 11.147 1.00 0.00 C ATOM 720 OE1 GLN A 47 6.578 -3.865 11.629 1.00 0.00 O ATOM 721 NE2 GLN A 47 5.451 -2.187 10.782 1.00 0.00 N ATOM 0 H GLN A 47 2.450 -4.763 7.959 1.00 0.00 H new ATOM 0 HA GLN A 47 2.352 -5.817 10.530 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.610 -3.710 9.100 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.796 -2.941 10.448 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.868 -4.511 12.029 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.628 -5.363 10.700 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.589 -1.821 10.379 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.257 -1.574 10.904 1.00 0.00 H new ATOM 730 N SER A 48 0.262 -3.271 10.174 1.00 0.00 N ATOM 731 CA SER A 48 -0.850 -2.539 10.764 1.00 0.00 C ATOM 732 C SER A 48 -2.058 -2.511 9.823 1.00 0.00 C ATOM 733 O SER A 48 -2.869 -1.597 9.906 1.00 0.00 O ATOM 734 CB SER A 48 -0.395 -1.133 11.144 1.00 0.00 C ATOM 735 OG SER A 48 0.764 -1.190 11.970 1.00 0.00 O ATOM 0 H SER A 48 0.659 -2.800 9.361 1.00 0.00 H new ATOM 0 HA SER A 48 -1.171 -3.053 11.670 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.179 -0.558 10.243 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.197 -0.614 11.668 1.00 0.00 H new ATOM 0 HG SER A 48 1.044 -0.280 12.204 1.00 0.00 H new ATOM 741 N GLN A 49 -2.163 -3.460 8.883 1.00 0.00 N ATOM 742 CA GLN A 49 -3.224 -3.584 7.875 1.00 0.00 C ATOM 743 C GLN A 49 -3.582 -2.236 7.190 1.00 0.00 C ATOM 744 O GLN A 49 -4.747 -1.993 6.859 1.00 0.00 O ATOM 745 CB GLN A 49 -4.413 -4.453 8.320 1.00 0.00 C ATOM 746 CG GLN A 49 -4.779 -4.212 9.768 1.00 0.00 C ATOM 747 CD GLN A 49 -6.147 -4.745 10.151 1.00 0.00 C ATOM 748 OE1 GLN A 49 -7.155 -4.111 9.833 1.00 0.00 O ATOM 749 NE2 GLN A 49 -6.196 -5.862 10.862 1.00 0.00 N ATOM 0 H GLN A 49 -1.470 -4.204 8.801 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.797 -4.172 7.063 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.275 -4.240 7.688 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.166 -5.505 8.178 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.027 -4.677 10.405 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.748 -3.141 9.967 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.334 -6.352 11.101 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.095 -6.231 11.170 1.00 0.00 H new ATOM 758 N GLN A 50 -2.584 -1.357 6.997 1.00 0.00 N ATOM 759 CA GLN A 50 -2.691 -0.044 6.353 1.00 0.00 C ATOM 760 C GLN A 50 -2.276 -0.085 4.880 1.00 0.00 C ATOM 761 O GLN A 50 -1.406 -0.850 4.482 1.00 0.00 O ATOM 762 CB GLN A 50 -1.805 0.979 7.096 1.00 0.00 C ATOM 763 CG GLN A 50 -2.276 1.431 8.485 1.00 0.00 C ATOM 764 CD GLN A 50 -3.792 1.577 8.589 1.00 0.00 C ATOM 765 OE1 GLN A 50 -4.385 2.637 8.388 1.00 0.00 O ATOM 766 NE2 GLN A 50 -4.453 0.477 8.872 1.00 0.00 N ATOM 0 H GLN A 50 -1.632 -1.557 7.304 1.00 0.00 H new ATOM 0 HA GLN A 50 -3.739 0.252 6.401 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.808 0.551 7.199 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.709 1.864 6.467 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.935 0.711 9.229 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.808 2.385 8.727 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.948 -0.394 9.036 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.471 0.494 8.928 1.00 0.00 H new ATOM 775 N TYR A 51 -2.819 0.813 4.064 1.00 0.00 N ATOM 776 CA TYR A 51 -2.380 0.965 2.669 1.00 0.00 C ATOM 777 C TYR A 51 -1.351 2.083 2.599 1.00 0.00 C ATOM 778 O TYR A 51 -1.535 3.111 3.259 1.00 0.00 O ATOM 779 CB TYR A 51 -3.569 1.309 1.759 1.00 0.00 C ATOM 780 CG TYR A 51 -4.501 0.185 1.313 1.00 0.00 C ATOM 781 CD1 TYR A 51 -4.788 -0.928 2.132 1.00 0.00 C ATOM 782 CD2 TYR A 51 -5.086 0.256 0.030 1.00 0.00 C ATOM 783 CE1 TYR A 51 -5.686 -1.920 1.700 1.00 0.00 C ATOM 784 CE2 TYR A 51 -6.023 -0.710 -0.389 1.00 0.00 C ATOM 785 CZ TYR A 51 -6.359 -1.784 0.465 1.00 0.00 C ATOM 786 OH TYR A 51 -7.249 -2.739 0.079 1.00 0.00 O ATOM 0 H TYR A 51 -3.566 1.451 4.340 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.945 0.025 2.328 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.174 2.055 2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.172 1.784 0.862 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.314 -1.018 3.098 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.812 1.059 -0.638 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.862 -2.790 2.315 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.484 -0.629 -1.362 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.628 -2.500 -0.793 1.00 0.00 H new ATOM 796 N LEU A 52 -0.293 1.907 1.801 1.00 0.00 N ATOM 797 CA LEU A 52 0.844 2.816 1.640 1.00 0.00 C ATOM 798 C LEU A 52 1.124 3.056 0.157 1.00 0.00 C ATOM 799 O LEU A 52 0.527 2.403 -0.694 1.00 0.00 O ATOM 800 CB LEU A 52 2.118 2.279 2.318 1.00 0.00 C ATOM 801 CG LEU A 52 1.973 1.807 3.774 1.00 0.00 C ATOM 802 CD1 LEU A 52 3.342 1.273 4.186 1.00 0.00 C ATOM 803 CD2 LEU A 52 1.523 2.890 4.762 1.00 0.00 C ATOM 0 H LEU A 52 -0.203 1.076 1.216 1.00 0.00 H new ATOM 0 HA LEU A 52 0.574 3.754 2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.495 1.446 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.877 3.061 2.287 1.00 0.00 H new ATOM 0 HG LEU A 52 1.183 1.057 3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.300 0.922 5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.622 0.447 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.083 2.068 4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.449 2.462 5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.250 3.702 4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.550 3.276 4.460 1.00 0.00 H new ATOM 815 N TYR A 53 2.055 3.952 -0.173 1.00 0.00 N ATOM 816 CA TYR A 53 2.601 4.106 -1.514 1.00 0.00 C ATOM 817 C TYR A 53 4.094 4.450 -1.446 1.00 0.00 C ATOM 818 O TYR A 53 4.554 5.072 -0.479 1.00 0.00 O ATOM 819 CB TYR A 53 1.763 5.117 -2.313 1.00 0.00 C ATOM 820 CG TYR A 53 1.736 6.570 -1.862 1.00 0.00 C ATOM 821 CD1 TYR A 53 0.945 6.988 -0.771 1.00 0.00 C ATOM 822 CD2 TYR A 53 2.402 7.537 -2.638 1.00 0.00 C ATOM 823 CE1 TYR A 53 0.778 8.357 -0.498 1.00 0.00 C ATOM 824 CE2 TYR A 53 2.225 8.905 -2.381 1.00 0.00 C ATOM 825 CZ TYR A 53 1.378 9.321 -1.335 1.00 0.00 C ATOM 826 OH TYR A 53 1.147 10.641 -1.114 1.00 0.00 O ATOM 0 H TYR A 53 2.456 4.603 0.502 1.00 0.00 H new ATOM 0 HA TYR A 53 2.536 3.162 -2.056 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.119 5.098 -3.343 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.734 4.756 -2.324 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.465 6.252 -0.142 1.00 0.00 H new ATOM 0 HD2 TYR A 53 3.055 7.223 -3.439 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.191 8.670 0.352 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.738 9.639 -2.985 1.00 0.00 H new ATOM 0 HH TYR A 53 1.634 11.174 -1.777 1.00 0.00 H new ATOM 836 N TRP A 54 4.847 4.011 -2.465 1.00 0.00 N ATOM 837 CA TRP A 54 6.295 4.167 -2.558 1.00 0.00 C ATOM 838 C TRP A 54 6.504 5.449 -3.339 1.00 0.00 C ATOM 839 O TRP A 54 6.479 5.443 -4.574 1.00 0.00 O ATOM 840 CB TRP A 54 6.981 2.957 -3.236 1.00 0.00 C ATOM 841 CG TRP A 54 8.415 3.182 -3.632 1.00 0.00 C ATOM 842 CD1 TRP A 54 8.876 3.224 -4.904 1.00 0.00 C ATOM 843 CD2 TRP A 54 9.565 3.500 -2.790 1.00 0.00 C ATOM 844 NE1 TRP A 54 10.220 3.541 -4.907 1.00 0.00 N ATOM 845 CE2 TRP A 54 10.701 3.713 -3.628 1.00 0.00 C ATOM 846 CE3 TRP A 54 9.761 3.665 -1.404 1.00 0.00 C ATOM 847 CZ2 TRP A 54 11.966 4.045 -3.118 1.00 0.00 C ATOM 848 CZ3 TRP A 54 11.027 3.979 -0.877 1.00 0.00 C ATOM 849 CH2 TRP A 54 12.133 4.160 -1.729 1.00 0.00 C ATOM 0 H TRP A 54 4.448 3.524 -3.268 1.00 0.00 H new ATOM 0 HA TRP A 54 6.752 4.215 -1.569 1.00 0.00 H new ATOM 0 HB2 TRP A 54 6.936 2.105 -2.557 1.00 0.00 H new ATOM 0 HB3 TRP A 54 6.412 2.686 -4.125 1.00 0.00 H new ATOM 0 HD1 TRP A 54 8.281 3.037 -5.786 1.00 0.00 H new ATOM 0 HE1 TRP A 54 10.786 3.636 -5.751 1.00 0.00 H new ATOM 0 HE3 TRP A 54 8.923 3.548 -0.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 12.799 4.210 -3.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 11.152 4.082 0.191 1.00 0.00 H new ATOM 0 HH2 TRP A 54 13.105 4.386 -1.316 1.00 0.00 H new ATOM 860 N ASP A 55 6.639 6.569 -2.636 1.00 0.00 N ATOM 861 CA ASP A 55 6.793 7.849 -3.290 1.00 0.00 C ATOM 862 C ASP A 55 8.269 8.068 -3.560 1.00 0.00 C ATOM 863 O ASP A 55 9.027 8.500 -2.684 1.00 0.00 O ATOM 864 CB ASP A 55 6.189 8.994 -2.484 1.00 0.00 C ATOM 865 CG ASP A 55 6.307 10.297 -3.277 1.00 0.00 C ATOM 866 OD1 ASP A 55 6.444 10.246 -4.520 1.00 0.00 O ATOM 867 OD2 ASP A 55 6.191 11.369 -2.650 1.00 0.00 O ATOM 0 H ASP A 55 6.644 6.609 -1.617 1.00 0.00 H new ATOM 0 HA ASP A 55 6.242 7.837 -4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.142 8.784 -2.263 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.704 9.090 -1.528 1.00 0.00 H new ATOM 872 N GLY A 56 8.687 7.742 -4.781 1.00 0.00 N ATOM 873 CA GLY A 56 10.053 7.904 -5.234 1.00 0.00 C ATOM 874 C GLY A 56 10.529 9.356 -5.166 1.00 0.00 C ATOM 875 O GLY A 56 11.740 9.577 -5.185 1.00 0.00 O ATOM 0 H GLY A 56 8.068 7.351 -5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.709 7.282 -4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.136 7.546 -6.260 1.00 0.00 H new ATOM 879 N GLU A 57 9.639 10.346 -5.023 1.00 0.00 N ATOM 880 CA GLU A 57 10.063 11.734 -4.855 1.00 0.00 C ATOM 881 C GLU A 57 10.779 11.906 -3.516 1.00 0.00 C ATOM 882 O GLU A 57 11.734 12.676 -3.404 1.00 0.00 O ATOM 883 CB GLU A 57 8.872 12.694 -4.937 1.00 0.00 C ATOM 884 CG GLU A 57 8.142 12.554 -6.276 1.00 0.00 C ATOM 885 CD GLU A 57 7.311 13.784 -6.606 1.00 0.00 C ATOM 886 OE1 GLU A 57 7.901 14.697 -7.232 1.00 0.00 O ATOM 887 OE2 GLU A 57 6.091 13.765 -6.319 1.00 0.00 O ATOM 0 H GLU A 57 8.628 10.209 -5.021 1.00 0.00 H new ATOM 0 HA GLU A 57 10.750 11.976 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.180 12.491 -4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.219 13.720 -4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.870 12.385 -7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.495 11.677 -6.246 1.00 0.00 H new ATOM 894 N ARG A 58 10.337 11.174 -2.496 1.00 0.00 N ATOM 895 CA ARG A 58 10.839 11.234 -1.132 1.00 0.00 C ATOM 896 C ARG A 58 11.624 9.968 -0.767 1.00 0.00 C ATOM 897 O ARG A 58 12.210 9.920 0.309 1.00 0.00 O ATOM 898 CB ARG A 58 9.618 11.447 -0.223 1.00 0.00 C ATOM 899 CG ARG A 58 8.963 12.825 -0.424 1.00 0.00 C ATOM 900 CD ARG A 58 7.544 12.826 0.152 1.00 0.00 C ATOM 901 NE ARG A 58 7.137 14.064 0.838 1.00 0.00 N ATOM 902 CZ ARG A 58 6.002 14.169 1.548 1.00 0.00 C ATOM 903 NH1 ARG A 58 5.184 13.131 1.705 1.00 0.00 N ATOM 904 NH2 ARG A 58 5.690 15.305 2.162 1.00 0.00 N ATOM 0 H ARG A 58 9.585 10.493 -2.606 1.00 0.00 H new ATOM 0 HA ARG A 58 11.546 12.054 -1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.883 10.667 -0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.922 11.342 0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.562 13.595 0.063 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.932 13.070 -1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.842 12.633 -0.659 1.00 0.00 H new ATOM 0 HD3 ARG A 58 7.455 11.997 0.854 1.00 0.00 H new ATOM 0 HE ARG A 58 7.746 14.880 0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.414 12.232 1.282 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.327 13.235 2.249 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.315 16.108 2.097 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.825 15.374 2.699 1.00 0.00 H new ATOM 918 N ARG A 59 11.670 8.960 -1.650 1.00 0.00 N ATOM 919 CA ARG A 59 12.274 7.642 -1.434 1.00 0.00 C ATOM 920 C ARG A 59 11.887 7.105 -0.060 1.00 0.00 C ATOM 921 O ARG A 59 12.738 6.683 0.729 1.00 0.00 O ATOM 922 CB ARG A 59 13.808 7.716 -1.611 1.00 0.00 C ATOM 923 CG ARG A 59 14.240 8.084 -3.031 1.00 0.00 C ATOM 924 CD ARG A 59 15.766 8.257 -3.139 1.00 0.00 C ATOM 925 NE ARG A 59 16.228 9.613 -2.764 1.00 0.00 N ATOM 926 CZ ARG A 59 17.502 10.029 -2.802 1.00 0.00 C ATOM 927 NH1 ARG A 59 18.504 9.168 -2.950 1.00 0.00 N ATOM 928 NH2 ARG A 59 17.798 11.316 -2.713 1.00 0.00 N ATOM 0 H ARG A 59 11.265 9.049 -2.582 1.00 0.00 H new ATOM 0 HA ARG A 59 11.892 6.946 -2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 59 14.211 8.451 -0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.244 6.753 -1.345 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.913 7.308 -3.723 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.747 9.008 -3.332 1.00 0.00 H new ATOM 0 HD2 ARG A 59 16.254 7.524 -2.497 1.00 0.00 H new ATOM 0 HD3 ARG A 59 16.078 8.044 -4.162 1.00 0.00 H new ATOM 0 HE ARG A 59 15.523 10.282 -2.453 1.00 0.00 H new ATOM 0 HH11 ARG A 59 18.310 8.170 -3.037 1.00 0.00 H new ATOM 0 HH12 ARG A 59 19.466 9.505 -2.976 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.053 12.005 -2.614 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.772 11.619 -2.743 1.00 0.00 H new ATOM 942 N THR A 60 10.596 7.154 0.240 1.00 0.00 N ATOM 943 CA THR A 60 10.069 6.737 1.517 1.00 0.00 C ATOM 944 C THR A 60 8.678 6.148 1.309 1.00 0.00 C ATOM 945 O THR A 60 8.158 6.124 0.189 1.00 0.00 O ATOM 946 CB THR A 60 10.097 7.938 2.464 1.00 0.00 C ATOM 947 OG1 THR A 60 10.043 7.443 3.777 1.00 0.00 O ATOM 948 CG2 THR A 60 8.957 8.942 2.259 1.00 0.00 C ATOM 0 H THR A 60 9.884 7.489 -0.409 1.00 0.00 H new ATOM 0 HA THR A 60 10.672 5.953 1.976 1.00 0.00 H new ATOM 0 HB THR A 60 11.013 8.490 2.255 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.061 8.191 4.410 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.059 9.759 2.974 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.000 9.340 1.245 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.000 8.443 2.412 1.00 0.00 H new ATOM 956 N TYR A 61 8.078 5.697 2.404 1.00 0.00 N ATOM 957 CA TYR A 61 6.741 5.139 2.421 1.00 0.00 C ATOM 958 C TYR A 61 5.830 6.118 3.134 1.00 0.00 C ATOM 959 O TYR A 61 6.167 6.644 4.205 1.00 0.00 O ATOM 960 CB TYR A 61 6.763 3.760 3.082 1.00 0.00 C ATOM 961 CG TYR A 61 7.614 2.772 2.306 1.00 0.00 C ATOM 962 CD1 TYR A 61 9.013 2.701 2.462 1.00 0.00 C ATOM 963 CD2 TYR A 61 6.985 1.973 1.345 1.00 0.00 C ATOM 964 CE1 TYR A 61 9.768 1.864 1.620 1.00 0.00 C ATOM 965 CE2 TYR A 61 7.731 1.131 0.503 1.00 0.00 C ATOM 966 CZ TYR A 61 9.131 1.082 0.630 1.00 0.00 C ATOM 967 OH TYR A 61 9.851 0.271 -0.191 1.00 0.00 O ATOM 0 H TYR A 61 8.521 5.712 3.322 1.00 0.00 H new ATOM 0 HA TYR A 61 6.360 4.992 1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.148 3.851 4.098 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.745 3.379 3.160 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.504 3.287 3.225 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.910 2.004 1.249 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.841 1.819 1.731 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.232 0.524 -0.238 1.00 0.00 H new ATOM 0 HH TYR A 61 9.246 -0.191 -0.808 1.00 0.00 H new ATOM 977 N VAL A 62 4.697 6.389 2.503 1.00 0.00 N ATOM 978 CA VAL A 62 3.624 7.227 3.007 1.00 0.00 C ATOM 979 C VAL A 62 2.317 6.437 2.964 1.00 0.00 C ATOM 980 O VAL A 62 2.189 5.548 2.122 1.00 0.00 O ATOM 981 CB VAL A 62 3.544 8.513 2.167 1.00 0.00 C ATOM 982 CG1 VAL A 62 4.431 9.598 2.777 1.00 0.00 C ATOM 983 CG2 VAL A 62 3.933 8.315 0.692 1.00 0.00 C ATOM 0 H VAL A 62 4.493 6.010 1.578 1.00 0.00 H new ATOM 0 HA VAL A 62 3.813 7.517 4.041 1.00 0.00 H new ATOM 0 HB VAL A 62 2.497 8.815 2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.366 10.503 2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.096 9.814 3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.464 9.252 2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.852 9.265 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.959 7.952 0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.264 7.587 0.234 1.00 0.00 H new ATOM 993 N PRO A 63 1.325 6.756 3.809 1.00 0.00 N ATOM 994 CA PRO A 63 0.051 6.057 3.819 1.00 0.00 C ATOM 995 C PRO A 63 -0.819 6.478 2.629 1.00 0.00 C ATOM 996 O PRO A 63 -1.124 7.658 2.454 1.00 0.00 O ATOM 997 CB PRO A 63 -0.569 6.379 5.177 1.00 0.00 C ATOM 998 CG PRO A 63 -0.010 7.756 5.518 1.00 0.00 C ATOM 999 CD PRO A 63 1.382 7.733 4.886 1.00 0.00 C ATOM 0 HA PRO A 63 0.159 4.979 3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.658 6.391 5.126 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.293 5.639 5.928 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.627 8.555 5.105 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.039 7.915 6.595 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.652 8.718 4.504 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.138 7.458 5.621 1.00 0.00 H new ATOM 1007 N ALA A 64 -1.250 5.506 1.820 1.00 0.00 N ATOM 1008 CA ALA A 64 -2.296 5.675 0.820 1.00 0.00 C ATOM 1009 C ALA A 64 -3.666 5.459 1.475 1.00 0.00 C ATOM 1010 O ALA A 64 -4.482 4.633 1.052 1.00 0.00 O ATOM 1011 CB ALA A 64 -2.097 4.752 -0.378 1.00 0.00 C ATOM 0 H ALA A 64 -0.870 4.560 1.847 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.243 6.693 0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.900 4.912 -1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.138 4.969 -0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.111 3.714 -0.044 1.00 0.00 H new ATOM 1017 N LEU A 65 -3.926 6.248 2.510 1.00 0.00 N ATOM 1018 CA LEU A 65 -5.282 6.608 2.914 1.00 0.00 C ATOM 1019 C LEU A 65 -5.975 7.424 1.811 1.00 0.00 C ATOM 1020 O LEU A 65 -5.350 7.733 0.793 1.00 0.00 O ATOM 1021 CB LEU A 65 -5.324 7.270 4.303 1.00 0.00 C ATOM 1022 CG LEU A 65 -4.153 8.191 4.641 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -3.938 9.225 3.547 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -4.347 8.844 6.003 1.00 0.00 C ATOM 0 H LEU A 65 -3.200 6.659 3.096 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.860 5.692 3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.247 7.844 4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.372 6.484 5.057 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.250 7.584 4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.099 9.867 3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.724 8.719 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.838 9.831 3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.499 9.494 6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.264 9.433 5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.417 8.072 6.770 1.00 0.00 H new ATOM 1036 N GLU A 66 -7.247 7.786 1.988 1.00 0.00 N ATOM 1037 CA GLU A 66 -8.048 8.490 0.982 1.00 0.00 C ATOM 1038 C GLU A 66 -7.362 9.762 0.463 1.00 0.00 C ATOM 1039 O GLU A 66 -7.523 10.096 -0.709 1.00 0.00 O ATOM 1040 CB GLU A 66 -9.431 8.833 1.568 1.00 0.00 C ATOM 1041 CG GLU A 66 -10.562 8.010 0.943 1.00 0.00 C ATOM 1042 CD GLU A 66 -10.407 6.502 1.145 1.00 0.00 C ATOM 1043 OE1 GLU A 66 -10.232 6.035 2.296 1.00 0.00 O ATOM 1044 OE2 GLU A 66 -10.549 5.742 0.161 1.00 0.00 O ATOM 0 H GLU A 66 -7.759 7.595 2.849 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.160 7.821 0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.417 8.663 2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.632 9.893 1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.512 8.330 1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.607 8.222 -0.125 1.00 0.00 H new ATOM 1051 N GLN A 67 -6.597 10.453 1.319 1.00 0.00 N ATOM 1052 CA GLN A 67 -5.760 11.635 1.072 1.00 0.00 C ATOM 1053 C GLN A 67 -6.463 12.794 0.333 1.00 0.00 C ATOM 1054 O GLN A 67 -5.830 13.778 -0.057 1.00 0.00 O ATOM 1055 CB GLN A 67 -4.382 11.240 0.490 1.00 0.00 C ATOM 1056 CG GLN A 67 -4.419 10.544 -0.876 1.00 0.00 C ATOM 1057 CD GLN A 67 -3.058 10.113 -1.418 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -2.900 8.978 -1.865 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -2.065 10.986 -1.458 1.00 0.00 N ATOM 0 H GLN A 67 -6.544 10.170 2.298 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.569 12.075 2.051 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.772 12.139 0.404 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.882 10.582 1.201 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.059 9.665 -0.802 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.884 11.216 -1.597 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.198 11.927 -1.087 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.167 10.718 -1.860 1.00 0.00 H new ATOM 1068 N SER A 68 -7.784 12.735 0.184 1.00 0.00 N ATOM 1069 CA SER A 68 -8.607 13.717 -0.505 1.00 0.00 C ATOM 1070 C SER A 68 -9.922 13.942 0.254 1.00 0.00 C ATOM 1071 O SER A 68 -10.877 14.443 -0.342 1.00 0.00 O ATOM 1072 CB SER A 68 -8.821 13.223 -1.946 1.00 0.00 C ATOM 1073 OG SER A 68 -9.405 14.220 -2.765 1.00 0.00 O ATOM 0 H SER A 68 -8.333 11.962 0.560 1.00 0.00 H new ATOM 0 HA SER A 68 -8.115 14.689 -0.541 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.865 12.918 -2.371 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.461 12.341 -1.936 1.00 0.00 H new ATOM 0 HG SER A 68 -10.130 14.662 -2.275 1.00 0.00 H new ATOM 1079 N ALA A 69 -10.015 13.553 1.533 1.00 0.00 N ATOM 1080 CA ALA A 69 -11.200 13.780 2.346 1.00 0.00 C ATOM 1081 C ALA A 69 -10.838 13.954 3.821 1.00 0.00 C ATOM 1082 O ALA A 69 -9.752 13.555 4.252 1.00 0.00 O ATOM 1083 CB ALA A 69 -12.173 12.607 2.173 1.00 0.00 C ATOM 0 H ALA A 69 -9.264 13.071 2.027 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.676 14.702 2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.061 12.778 2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -12.462 12.526 1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.689 11.683 2.488 1.00 0.00 H new ATOM 1089 N ASP A 70 -11.805 14.486 4.572 1.00 0.00 N ATOM 1090 CA ASP A 70 -11.896 14.672 6.017 1.00 0.00 C ATOM 1091 C ASP A 70 -10.840 15.666 6.473 1.00 0.00 C ATOM 1092 O ASP A 70 -11.087 16.876 6.533 1.00 0.00 O ATOM 1093 CB ASP A 70 -11.839 13.323 6.753 1.00 0.00 C ATOM 1094 CG ASP A 70 -12.097 13.427 8.254 1.00 0.00 C ATOM 1095 OD1 ASP A 70 -12.501 14.507 8.750 1.00 0.00 O ATOM 1096 OD2 ASP A 70 -11.892 12.404 8.944 1.00 0.00 O ATOM 0 H ASP A 70 -12.648 14.840 4.120 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.865 15.100 6.275 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.574 12.649 6.314 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.859 12.874 6.593 1.00 0.00 H new ATOM 1101 N GLY A 71 -9.626 15.180 6.688 1.00 0.00 N ATOM 1102 CA GLY A 71 -8.455 15.973 6.943 1.00 0.00 C ATOM 1103 C GLY A 71 -7.301 15.046 7.293 1.00 0.00 C ATOM 1104 O GLY A 71 -7.382 13.853 7.017 1.00 0.00 O ATOM 0 H GLY A 71 -9.433 14.178 6.687 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.206 16.571 6.066 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.641 16.669 7.761 1.00 0.00 H new ATOM 1108 N HIS A 72 -6.233 15.564 7.900 1.00 0.00 N ATOM 1109 CA HIS A 72 -5.233 14.711 8.551 1.00 0.00 C ATOM 1110 C HIS A 72 -5.891 14.005 9.745 1.00 0.00 C ATOM 1111 O HIS A 72 -5.847 14.535 10.859 1.00 0.00 O ATOM 1112 CB HIS A 72 -4.033 15.552 9.007 1.00 0.00 C ATOM 1113 CG HIS A 72 -3.052 15.875 7.914 1.00 0.00 C ATOM 1114 ND1 HIS A 72 -3.314 16.490 6.712 1.00 0.00 N ATOM 1115 CD2 HIS A 72 -1.722 15.568 7.942 1.00 0.00 C ATOM 1116 CE1 HIS A 72 -2.156 16.542 6.032 1.00 0.00 C ATOM 1117 NE2 HIS A 72 -1.140 16.029 6.755 1.00 0.00 N ATOM 0 H HIS A 72 -6.037 16.563 7.956 1.00 0.00 H new ATOM 0 HA HIS A 72 -4.867 13.964 7.847 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.400 16.484 9.437 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.511 15.018 9.801 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.207 15.057 8.742 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.052 16.943 5.035 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.155 15.986 6.493 1.00 0.00 H new ATOM 1125 N LYS A 73 -6.584 12.886 9.522 1.00 0.00 N ATOM 1126 CA LYS A 73 -7.385 12.177 10.520 1.00 0.00 C ATOM 1127 C LYS A 73 -7.410 10.680 10.196 1.00 0.00 C ATOM 1128 O LYS A 73 -6.635 10.193 9.369 1.00 0.00 O ATOM 1129 CB LYS A 73 -8.815 12.750 10.582 1.00 0.00 C ATOM 1130 CG LYS A 73 -8.926 14.257 10.836 1.00 0.00 C ATOM 1131 CD LYS A 73 -10.357 14.636 11.222 1.00 0.00 C ATOM 1132 CE LYS A 73 -10.691 16.079 10.853 1.00 0.00 C ATOM 1133 NZ LYS A 73 -9.906 17.062 11.626 1.00 0.00 N ATOM 0 H LYS A 73 -6.603 12.433 8.608 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.930 12.316 11.501 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.317 12.523 9.642 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.360 12.228 11.369 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.240 14.548 11.632 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.628 14.805 9.942 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.056 13.964 10.724 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.491 14.497 12.295 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.507 16.229 9.789 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.753 16.256 11.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.172 18.024 11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.100 16.940 12.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.892 16.915 11.447 1.00 0.00 H new ATOM 1147 N GLU A 74 -8.300 9.936 10.851 1.00 0.00 N ATOM 1148 CA GLU A 74 -8.473 8.504 10.662 1.00 0.00 C ATOM 1149 C GLU A 74 -8.961 8.191 9.248 1.00 0.00 C ATOM 1150 O GLU A 74 -8.487 7.238 8.630 1.00 0.00 O ATOM 1151 CB GLU A 74 -9.488 7.960 11.686 1.00 0.00 C ATOM 1152 CG GLU A 74 -9.158 6.548 12.185 1.00 0.00 C ATOM 1153 CD GLU A 74 -8.080 6.492 13.273 1.00 0.00 C ATOM 1154 OE1 GLU A 74 -7.871 7.480 14.011 1.00 0.00 O ATOM 1155 OE2 GLU A 74 -7.465 5.414 13.453 1.00 0.00 O ATOM 0 H GLU A 74 -8.936 10.327 11.546 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.506 8.024 10.809 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.530 8.637 12.539 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.480 7.954 11.234 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.069 6.091 12.571 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.833 5.944 11.338 1.00 0.00 H new ATOM 1162 N THR A 75 -9.932 8.963 8.755 1.00 0.00 N ATOM 1163 CA THR A 75 -10.781 8.707 7.581 1.00 0.00 C ATOM 1164 C THR A 75 -11.535 7.365 7.543 1.00 0.00 C ATOM 1165 O THR A 75 -12.394 7.183 6.676 1.00 0.00 O ATOM 1166 CB THR A 75 -10.026 8.913 6.249 1.00 0.00 C ATOM 1167 OG1 THR A 75 -8.613 8.791 6.352 1.00 0.00 O ATOM 1168 CG2 THR A 75 -10.277 10.318 5.711 1.00 0.00 C ATOM 0 H THR A 75 -10.166 9.852 9.197 1.00 0.00 H new ATOM 0 HA THR A 75 -11.555 9.465 7.700 1.00 0.00 H new ATOM 0 HB THR A 75 -10.407 8.127 5.597 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.207 8.932 5.471 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.739 10.450 4.772 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.345 10.457 5.540 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.927 11.053 6.436 1.00 0.00 H new ATOM 1176 N GLY A 76 -11.236 6.423 8.437 1.00 0.00 N ATOM 1177 CA GLY A 76 -11.573 5.044 8.232 1.00 0.00 C ATOM 1178 C GLY A 76 -12.988 4.838 8.713 1.00 0.00 C ATOM 1179 O GLY A 76 -13.188 4.571 9.900 1.00 0.00 O ATOM 0 H GLY A 76 -10.754 6.609 9.317 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.486 4.782 7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.886 4.398 8.778 1.00 0.00 H new ATOM 1183 N ALA A 77 -13.951 4.967 7.803 1.00 0.00 N ATOM 1184 CA ALA A 77 -15.345 4.628 8.020 1.00 0.00 C ATOM 1185 C ALA A 77 -15.844 3.906 6.758 1.00 0.00 C ATOM 1186 O ALA A 77 -16.381 4.553 5.846 1.00 0.00 O ATOM 1187 CB ALA A 77 -16.148 5.881 8.368 1.00 0.00 C ATOM 0 H ALA A 77 -13.770 5.323 6.864 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.472 3.959 8.871 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -17.192 5.611 8.528 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -15.746 6.330 9.276 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -16.080 6.596 7.548 1.00 0.00 H new ATOM 1193 N PRO A 78 -15.580 2.592 6.642 1.00 0.00 N ATOM 1194 CA PRO A 78 -15.774 1.825 5.418 1.00 0.00 C ATOM 1195 C PRO A 78 -17.227 1.357 5.313 1.00 0.00 C ATOM 1196 O PRO A 78 -17.518 0.162 5.282 1.00 0.00 O ATOM 1197 CB PRO A 78 -14.779 0.660 5.550 1.00 0.00 C ATOM 1198 CG PRO A 78 -14.784 0.371 7.051 1.00 0.00 C ATOM 1199 CD PRO A 78 -14.874 1.783 7.629 1.00 0.00 C ATOM 0 HA PRO A 78 -15.594 2.396 4.507 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -15.095 -0.208 4.971 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.786 0.936 5.195 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -15.630 -0.249 7.347 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.881 -0.148 7.373 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -15.407 1.779 8.580 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.880 2.187 7.822 1.00 0.00 H new ATOM 1207 N SER A 79 -18.162 2.293 5.199 1.00 0.00 N ATOM 1208 CA SER A 79 -19.575 2.024 5.403 1.00 0.00 C ATOM 1209 C SER A 79 -20.406 2.529 4.224 1.00 0.00 C ATOM 1210 O SER A 79 -21.329 3.327 4.390 1.00 0.00 O ATOM 1211 CB SER A 79 -19.976 2.589 6.784 1.00 0.00 C ATOM 1212 OG SER A 79 -19.285 3.786 7.131 1.00 0.00 O ATOM 0 H SER A 79 -17.957 3.264 4.961 1.00 0.00 H new ATOM 0 HA SER A 79 -19.781 0.954 5.425 1.00 0.00 H new ATOM 0 HB2 SER A 79 -21.049 2.783 6.791 1.00 0.00 H new ATOM 0 HB3 SER A 79 -19.784 1.834 7.546 1.00 0.00 H new ATOM 0 HG SER A 79 -19.584 4.092 8.013 1.00 0.00 H new ATOM 1218 N LYS A 80 -20.109 2.066 3.000 1.00 0.00 N ATOM 1219 CA LYS A 80 -20.892 2.426 1.811 1.00 0.00 C ATOM 1220 C LYS A 80 -22.159 1.571 1.703 1.00 0.00 C ATOM 1221 O LYS A 80 -22.385 0.904 0.695 1.00 0.00 O ATOM 1222 CB LYS A 80 -20.002 2.434 0.549 1.00 0.00 C ATOM 1223 CG LYS A 80 -20.327 3.625 -0.369 1.00 0.00 C ATOM 1224 CD LYS A 80 -21.758 3.668 -0.920 1.00 0.00 C ATOM 1225 CE LYS A 80 -21.919 4.913 -1.800 1.00 0.00 C ATOM 1226 NZ LYS A 80 -23.339 5.223 -2.053 1.00 0.00 N ATOM 0 H LYS A 80 -19.328 1.438 2.809 1.00 0.00 H new ATOM 0 HA LYS A 80 -21.254 3.449 1.911 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -18.953 2.477 0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -20.141 1.503 -0.000 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -20.142 4.547 0.183 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -19.634 3.612 -1.210 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -21.965 2.768 -1.500 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -22.476 3.691 -0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -21.441 5.765 -1.316 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -21.406 4.757 -2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -23.408 6.071 -2.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -23.789 4.420 -2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -23.823 5.397 -1.149 1.00 0.00 H new ATOM 1240 N GLU A 81 -22.951 1.555 2.773 1.00 0.00 N ATOM 1241 CA GLU A 81 -24.377 1.242 2.946 1.00 0.00 C ATOM 1242 C GLU A 81 -24.907 -0.081 2.381 1.00 0.00 C ATOM 1243 O GLU A 81 -26.101 -0.363 2.474 1.00 0.00 O ATOM 1244 CB GLU A 81 -25.220 2.486 2.624 1.00 0.00 C ATOM 1245 CG GLU A 81 -25.578 2.744 1.155 1.00 0.00 C ATOM 1246 CD GLU A 81 -27.033 2.376 0.837 1.00 0.00 C ATOM 1247 OE1 GLU A 81 -27.962 2.898 1.488 1.00 0.00 O ATOM 1248 OE2 GLU A 81 -27.237 1.554 -0.090 1.00 0.00 O ATOM 0 H GLU A 81 -22.548 1.798 3.678 1.00 0.00 H new ATOM 0 HA GLU A 81 -24.492 1.000 4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -26.150 2.416 3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -24.685 3.359 2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -25.412 3.796 0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -24.911 2.167 0.514 1.00 0.00 H new ATOM 1255 N GLY A 82 -24.011 -0.917 1.878 1.00 0.00 N ATOM 1256 CA GLY A 82 -24.238 -2.230 1.307 1.00 0.00 C ATOM 1257 C GLY A 82 -22.918 -2.851 0.859 1.00 0.00 C ATOM 1258 O GLY A 82 -22.821 -4.077 0.786 1.00 0.00 O ATOM 0 H GLY A 82 -23.022 -0.669 1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -24.720 -2.875 2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -24.917 -2.152 0.458 1.00 0.00 H new ATOM 1262 N LYS A 83 -21.852 -2.056 0.632 1.00 0.00 N ATOM 1263 CA LYS A 83 -20.527 -2.659 0.460 1.00 0.00 C ATOM 1264 C LYS A 83 -19.919 -3.021 1.813 1.00 0.00 C ATOM 1265 O LYS A 83 -19.093 -3.927 1.864 1.00 0.00 O ATOM 1266 CB LYS A 83 -19.551 -1.802 -0.376 1.00 0.00 C ATOM 1267 CG LYS A 83 -18.564 -2.761 -1.076 1.00 0.00 C ATOM 1268 CD LYS A 83 -17.255 -2.149 -1.583 1.00 0.00 C ATOM 1269 CE LYS A 83 -16.342 -3.312 -2.007 1.00 0.00 C ATOM 1270 NZ LYS A 83 -15.009 -2.887 -2.469 1.00 0.00 N ATOM 0 H LYS A 83 -21.883 -1.039 0.567 1.00 0.00 H new ATOM 0 HA LYS A 83 -20.685 -3.570 -0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -20.096 -1.210 -1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.014 -1.101 0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -18.318 -3.563 -0.381 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -19.076 -3.219 -1.922 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.443 -1.481 -2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -16.781 -1.553 -0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.223 -3.994 -1.165 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -16.830 -3.872 -2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.452 -3.723 -2.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.111 -2.260 -3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.523 -2.378 -1.704 1.00 0.00 H new ATOM 1284 N GLU A 84 -20.438 -2.486 2.926 1.00 0.00 N ATOM 1285 CA GLU A 84 -19.678 -1.926 4.049 1.00 0.00 C ATOM 1286 C GLU A 84 -18.472 -2.820 4.377 1.00 0.00 C ATOM 1287 O GLU A 84 -17.349 -2.504 3.999 1.00 0.00 O ATOM 1288 CB GLU A 84 -20.632 -1.752 5.255 1.00 0.00 C ATOM 1289 CG GLU A 84 -21.750 -2.809 5.381 1.00 0.00 C ATOM 1290 CD GLU A 84 -22.469 -2.757 6.731 1.00 0.00 C ATOM 1291 OE1 GLU A 84 -23.083 -1.720 7.056 1.00 0.00 O ATOM 1292 OE2 GLU A 84 -22.445 -3.790 7.442 1.00 0.00 O ATOM 0 H GLU A 84 -21.446 -2.430 3.074 1.00 0.00 H new ATOM 0 HA GLU A 84 -19.276 -0.947 3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -20.039 -1.766 6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -21.094 -0.767 5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -22.476 -2.659 4.582 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -21.322 -3.802 5.241 1.00 0.00 H new ATOM 1299 N LYS A 85 -18.738 -3.989 4.952 1.00 0.00 N ATOM 1300 CA LYS A 85 -17.801 -5.065 5.271 1.00 0.00 C ATOM 1301 C LYS A 85 -18.151 -6.341 4.490 1.00 0.00 C ATOM 1302 O LYS A 85 -17.677 -7.429 4.825 1.00 0.00 O ATOM 1303 CB LYS A 85 -17.832 -5.290 6.798 1.00 0.00 C ATOM 1304 CG LYS A 85 -19.258 -5.224 7.390 1.00 0.00 C ATOM 1305 CD LYS A 85 -19.475 -6.146 8.585 1.00 0.00 C ATOM 1306 CE LYS A 85 -19.750 -7.568 8.077 1.00 0.00 C ATOM 1307 NZ LYS A 85 -20.475 -8.358 9.084 1.00 0.00 N ATOM 0 H LYS A 85 -19.690 -4.229 5.230 1.00 0.00 H new ATOM 0 HA LYS A 85 -16.789 -4.791 4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -17.395 -6.262 7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -17.208 -4.539 7.283 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -19.468 -4.198 7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -19.976 -5.480 6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -18.596 -6.140 9.229 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -20.313 -5.792 9.186 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -20.333 -7.523 7.157 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -18.808 -8.059 7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -20.648 -9.315 8.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -19.906 -8.419 9.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -21.384 -7.899 9.297 1.00 0.00 H new ATOM 1321 N LYS A 86 -19.066 -6.246 3.520 1.00 0.00 N ATOM 1322 CA LYS A 86 -19.770 -7.389 2.946 1.00 0.00 C ATOM 1323 C LYS A 86 -18.923 -8.121 1.903 1.00 0.00 C ATOM 1324 O LYS A 86 -18.974 -9.349 1.826 1.00 0.00 O ATOM 1325 CB LYS A 86 -21.101 -6.871 2.380 1.00 0.00 C ATOM 1326 CG LYS A 86 -22.000 -8.007 1.888 1.00 0.00 C ATOM 1327 CD LYS A 86 -23.392 -7.474 1.543 1.00 0.00 C ATOM 1328 CE LYS A 86 -24.204 -8.631 0.970 1.00 0.00 C ATOM 1329 NZ LYS A 86 -25.522 -8.208 0.464 1.00 0.00 N ATOM 0 H LYS A 86 -19.341 -5.355 3.107 1.00 0.00 H new ATOM 0 HA LYS A 86 -19.968 -8.138 3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -21.624 -6.303 3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.902 -6.185 1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -21.556 -8.477 1.011 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -22.078 -8.776 2.656 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -23.877 -7.069 2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -23.322 -6.661 0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -23.642 -9.098 0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -24.342 -9.389 1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -26.030 -9.033 0.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -26.073 -7.787 1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -25.394 -7.505 -0.292 1.00 0.00 H new ATOM 1343 N GLU A 87 -18.139 -7.376 1.117 1.00 0.00 N ATOM 1344 CA GLU A 87 -17.159 -7.908 0.169 1.00 0.00 C ATOM 1345 C GLU A 87 -17.765 -8.973 -0.780 1.00 0.00 C ATOM 1346 O GLU A 87 -17.126 -9.975 -1.102 1.00 0.00 O ATOM 1347 CB GLU A 87 -15.921 -8.360 0.975 1.00 0.00 C ATOM 1348 CG GLU A 87 -14.608 -8.467 0.181 1.00 0.00 C ATOM 1349 CD GLU A 87 -14.060 -7.141 -0.356 1.00 0.00 C ATOM 1350 OE1 GLU A 87 -14.622 -6.053 -0.112 1.00 0.00 O ATOM 1351 OE2 GLU A 87 -13.050 -7.179 -1.100 1.00 0.00 O ATOM 0 H GLU A 87 -18.171 -6.357 1.124 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.834 -7.136 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.771 -7.660 1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.135 -9.332 1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.852 -8.922 0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.764 -9.144 -0.659 1.00 0.00 H new ATOM 1358 N LYS A 88 -19.002 -8.741 -1.249 1.00 0.00 N ATOM 1359 CA LYS A 88 -19.815 -9.523 -2.203 1.00 0.00 C ATOM 1360 C LYS A 88 -20.063 -10.989 -1.842 1.00 0.00 C ATOM 1361 O LYS A 88 -21.222 -11.353 -1.644 1.00 0.00 O ATOM 1362 CB LYS A 88 -19.280 -9.368 -3.640 1.00 0.00 C ATOM 1363 CG LYS A 88 -20.014 -8.252 -4.396 1.00 0.00 C ATOM 1364 CD LYS A 88 -19.263 -7.781 -5.646 1.00 0.00 C ATOM 1365 CE LYS A 88 -19.081 -8.879 -6.699 1.00 0.00 C ATOM 1366 NZ LYS A 88 -18.409 -8.361 -7.910 1.00 0.00 N ATOM 0 H LYS A 88 -19.513 -7.915 -0.938 1.00 0.00 H new ATOM 0 HA LYS A 88 -20.808 -9.080 -2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -18.213 -9.148 -3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.396 -10.310 -4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -21.003 -8.607 -4.685 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -20.162 -7.404 -3.727 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -19.804 -6.947 -6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -18.283 -7.405 -5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -18.495 -9.696 -6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -20.053 -9.291 -6.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.301 -9.129 -8.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.981 -7.598 -8.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.471 -7.991 -7.655 1.00 0.00 H new ATOM 1380 N HIS A 89 -19.026 -11.822 -1.805 1.00 0.00 N ATOM 1381 CA HIS A 89 -19.078 -13.266 -1.596 1.00 0.00 C ATOM 1382 C HIS A 89 -20.098 -13.949 -2.509 1.00 0.00 C ATOM 1383 O HIS A 89 -21.144 -14.434 -2.073 1.00 0.00 O ATOM 1384 CB HIS A 89 -19.229 -13.566 -0.099 1.00 0.00 C ATOM 1385 CG HIS A 89 -17.929 -13.276 0.598 1.00 0.00 C ATOM 1386 ND1 HIS A 89 -17.597 -12.149 1.322 1.00 0.00 N ATOM 1387 CD2 HIS A 89 -16.792 -14.013 0.416 1.00 0.00 C ATOM 1388 CE1 HIS A 89 -16.281 -12.229 1.587 1.00 0.00 C ATOM 1389 NE2 HIS A 89 -15.746 -13.336 1.037 1.00 0.00 N ATOM 0 H HIS A 89 -18.070 -11.487 -1.927 1.00 0.00 H new ATOM 0 HA HIS A 89 -18.133 -13.716 -1.901 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -20.027 -12.958 0.327 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -19.509 -14.609 0.048 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -18.229 -11.399 1.602 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -16.719 -14.951 -0.114 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -15.727 -11.503 2.164 1.00 0.00 H new ATOM 1397 N LYS A 90 -19.784 -13.994 -3.806 1.00 0.00 N ATOM 1398 CA LYS A 90 -20.644 -14.561 -4.838 1.00 0.00 C ATOM 1399 C LYS A 90 -20.275 -16.028 -5.059 1.00 0.00 C ATOM 1400 O LYS A 90 -19.147 -16.321 -5.454 1.00 0.00 O ATOM 1401 CB LYS A 90 -20.573 -13.680 -6.103 1.00 0.00 C ATOM 1402 CG LYS A 90 -19.241 -13.632 -6.884 1.00 0.00 C ATOM 1403 CD LYS A 90 -19.276 -14.547 -8.114 1.00 0.00 C ATOM 1404 CE LYS A 90 -18.001 -14.491 -8.959 1.00 0.00 C ATOM 1405 NZ LYS A 90 -16.924 -15.365 -8.457 1.00 0.00 N ATOM 0 H LYS A 90 -18.905 -13.628 -4.172 1.00 0.00 H new ATOM 0 HA LYS A 90 -21.690 -14.561 -4.532 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -21.349 -14.019 -6.789 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -20.826 -12.660 -5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -19.039 -12.608 -7.197 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -18.423 -13.933 -6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -19.440 -15.574 -7.787 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -20.127 -14.271 -8.737 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -18.241 -14.775 -9.984 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -17.640 -13.463 -8.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -16.091 -15.279 -9.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.669 -15.081 -7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.251 -16.352 -8.453 1.00 0.00 H new ATOM 1419 N THR A 91 -21.196 -16.958 -4.815 1.00 0.00 N ATOM 1420 CA THR A 91 -20.976 -18.380 -5.083 1.00 0.00 C ATOM 1421 C THR A 91 -21.231 -18.665 -6.575 1.00 0.00 C ATOM 1422 O THR A 91 -22.246 -19.254 -6.956 1.00 0.00 O ATOM 1423 CB THR A 91 -21.829 -19.232 -4.123 1.00 0.00 C ATOM 1424 OG1 THR A 91 -21.693 -18.728 -2.804 1.00 0.00 O ATOM 1425 CG2 THR A 91 -21.404 -20.702 -4.128 1.00 0.00 C ATOM 0 H THR A 91 -22.115 -16.749 -4.426 1.00 0.00 H new ATOM 0 HA THR A 91 -19.940 -18.658 -4.889 1.00 0.00 H new ATOM 0 HB THR A 91 -22.863 -19.173 -4.462 1.00 0.00 H new ATOM 0 HG1 THR A 91 -22.236 -19.266 -2.191 1.00 0.00 H new ATOM 0 HG21 THR A 91 -22.032 -21.265 -3.437 1.00 0.00 H new ATOM 0 HG22 THR A 91 -21.515 -21.109 -5.133 1.00 0.00 H new ATOM 0 HG23 THR A 91 -20.362 -20.781 -3.817 1.00 0.00 H new ATOM 1433 N LYS A 92 -20.326 -18.197 -7.431 1.00 0.00 N ATOM 1434 CA LYS A 92 -20.112 -18.613 -8.807 1.00 0.00 C ATOM 1435 C LYS A 92 -18.615 -18.819 -8.819 1.00 0.00 C ATOM 1436 O LYS A 92 -18.163 -19.960 -9.051 1.00 0.00 O ATOM 1437 CB LYS A 92 -20.539 -17.542 -9.838 1.00 0.00 C ATOM 1438 CG LYS A 92 -21.749 -17.940 -10.694 1.00 0.00 C ATOM 1439 CD LYS A 92 -23.086 -17.646 -10.000 1.00 0.00 C ATOM 1440 CE LYS A 92 -24.268 -18.267 -10.756 1.00 0.00 C ATOM 1441 NZ LYS A 92 -24.499 -17.635 -12.074 1.00 0.00 N ATOM 0 H LYS A 92 -19.676 -17.461 -7.156 1.00 0.00 H new ATOM 0 HA LYS A 92 -20.700 -19.486 -9.089 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -20.770 -16.617 -9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -19.696 -17.331 -10.496 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -21.711 -17.404 -11.642 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -21.691 -19.003 -10.927 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -23.061 -18.035 -8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -23.228 -16.568 -9.926 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -24.085 -19.332 -10.896 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -25.170 -18.175 -10.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -25.308 -18.092 -12.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -24.701 -16.623 -11.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -23.650 -17.745 -12.665 1.00 0.00 H new TER 1455 LYS A 92