USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 684 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 16 CYS SG : rot 156:sc= -2.17 USER MOD Set 1.2: A 47 THR OG1 : rot 78:sc= 0.67 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.0153 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.034 USER MOD Single : A 5 THR OG1 : rot -60:sc= 0.715 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00235 USER MOD Single : A 22 SER OG : rot 180:sc= 0.146 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0174 USER MOD Single : A 41 SER OG : rot 83:sc= 1.17 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0456 K(o=-0.046,f=-0.64) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00272 USER MOD Single : A 76 MET CE :methyl -165:sc= -2.65! (180deg=-3.59!) USER MOD Single : A 77 THR OG1 : rot 101:sc= 1.22 USER MOD Single : A 78 ASN : amide:sc= -7.12! C(o=-7.1!,f=-10!) USER MOD Single : A 80 SER OG : rot -83:sc= -3.7! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0.0196 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 62.092 11.894 6.089 1.00 0.00 N ATOM 2 CA MET A 1 63.562 11.860 5.853 1.00 0.00 C ATOM 3 C MET A 1 63.838 11.939 4.354 1.00 0.00 C ATOM 4 O MET A 1 62.974 11.635 3.532 1.00 0.00 O ATOM 5 CB MET A 1 64.137 10.555 6.412 1.00 0.00 C ATOM 6 CG MET A 1 65.532 10.814 6.987 1.00 0.00 C ATOM 7 SD MET A 1 65.383 11.336 8.714 1.00 0.00 S ATOM 8 CE MET A 1 67.039 12.047 8.879 1.00 0.00 C ATOM 0 H1 MET A 1 61.868 11.374 6.961 1.00 0.00 H new ATOM 0 H2 MET A 1 61.778 12.881 6.184 1.00 0.00 H new ATOM 0 H3 MET A 1 61.601 11.451 5.286 1.00 0.00 H new ATOM 0 HA MET A 1 64.032 12.707 6.353 1.00 0.00 H new ATOM 0 HB2 MET A 1 63.481 10.159 7.187 1.00 0.00 H new ATOM 0 HB3 MET A 1 64.191 9.803 5.625 1.00 0.00 H new ATOM 0 HG2 MET A 1 66.139 9.911 6.920 1.00 0.00 H new ATOM 0 HG3 MET A 1 66.040 11.583 6.406 1.00 0.00 H new ATOM 0 HE1 MET A 1 67.168 12.438 9.888 1.00 0.00 H new ATOM 0 HE2 MET A 1 67.786 11.276 8.690 1.00 0.00 H new ATOM 0 HE3 MET A 1 67.161 12.856 8.158 1.00 0.00 H new ATOM 20 N THR A 2 65.054 12.352 4.010 1.00 0.00 N ATOM 21 CA THR A 2 65.439 12.470 2.606 1.00 0.00 C ATOM 22 C THR A 2 65.474 11.096 1.946 1.00 0.00 C ATOM 23 O THR A 2 65.685 10.079 2.608 1.00 0.00 O ATOM 24 CB THR A 2 66.820 13.118 2.481 1.00 0.00 C ATOM 25 OG1 THR A 2 67.231 13.094 1.122 1.00 0.00 O ATOM 26 CG2 THR A 2 67.827 12.348 3.336 1.00 0.00 C ATOM 0 H THR A 2 65.783 12.608 4.675 1.00 0.00 H new ATOM 0 HA THR A 2 64.699 13.095 2.106 1.00 0.00 H new ATOM 0 HB THR A 2 66.770 14.150 2.827 1.00 0.00 H new ATOM 0 HG1 THR A 2 68.114 13.510 1.040 1.00 0.00 H new ATOM 0 HG21 THR A 2 68.810 12.811 3.246 1.00 0.00 H new ATOM 0 HG22 THR A 2 67.510 12.369 4.379 1.00 0.00 H new ATOM 0 HG23 THR A 2 67.880 11.314 2.994 1.00 0.00 H new ATOM 34 N LEU A 3 65.263 11.077 0.632 1.00 0.00 N ATOM 35 CA LEU A 3 65.270 9.822 -0.119 1.00 0.00 C ATOM 36 C LEU A 3 66.619 9.114 0.031 1.00 0.00 C ATOM 37 O LEU A 3 67.413 9.454 0.906 1.00 0.00 O ATOM 38 CB LEU A 3 64.977 10.088 -1.598 1.00 0.00 C ATOM 39 CG LEU A 3 66.086 10.802 -2.375 1.00 0.00 C ATOM 40 CD1 LEU A 3 65.939 10.494 -3.867 1.00 0.00 C ATOM 41 CD2 LEU A 3 65.969 12.310 -2.151 1.00 0.00 C ATOM 0 H LEU A 3 65.086 11.908 0.068 1.00 0.00 H new ATOM 0 HA LEU A 3 64.491 9.175 0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 3 64.772 9.135 -2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 3 64.067 10.684 -1.668 1.00 0.00 H new ATOM 0 HG LEU A 3 67.059 10.456 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 3 66.728 11.001 -4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 3 66.017 9.419 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 3 64.967 10.843 -4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 3 66.757 12.822 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 3 64.997 12.656 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 3 66.069 12.529 -1.088 1.00 0.00 H new ATOM 53 N LEU A 4 66.867 8.119 -0.821 1.00 0.00 N ATOM 54 CA LEU A 4 68.123 7.370 -0.746 1.00 0.00 C ATOM 55 C LEU A 4 68.833 7.371 -2.096 1.00 0.00 C ATOM 56 O LEU A 4 68.324 7.910 -3.079 1.00 0.00 O ATOM 57 CB LEU A 4 67.849 5.924 -0.327 1.00 0.00 C ATOM 58 CG LEU A 4 68.983 5.243 0.461 1.00 0.00 C ATOM 59 CD1 LEU A 4 68.424 4.605 1.738 1.00 0.00 C ATOM 60 CD2 LEU A 4 69.631 4.152 -0.400 1.00 0.00 C ATOM 0 H LEU A 4 66.229 7.817 -1.558 1.00 0.00 H new ATOM 0 HA LEU A 4 68.761 7.853 -0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 4 66.944 5.904 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 4 67.646 5.336 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 4 69.727 5.995 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 4 69.233 4.126 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 4 67.968 5.375 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 4 67.673 3.860 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 4 70.433 3.673 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 4 68.882 3.408 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 4 70.040 4.599 -1.306 1.00 0.00 H new ATOM 72 N THR A 5 70.011 6.756 -2.137 1.00 0.00 N ATOM 73 CA THR A 5 70.774 6.692 -3.378 1.00 0.00 C ATOM 74 C THR A 5 71.730 5.507 -3.378 1.00 0.00 C ATOM 75 O THR A 5 71.895 4.807 -2.375 1.00 0.00 O ATOM 76 CB THR A 5 71.581 7.972 -3.570 1.00 0.00 C ATOM 77 OG1 THR A 5 72.247 8.301 -2.359 1.00 0.00 O ATOM 78 CG2 THR A 5 70.637 9.102 -3.959 1.00 0.00 C ATOM 0 H THR A 5 70.453 6.301 -1.338 1.00 0.00 H new ATOM 0 HA THR A 5 70.061 6.574 -4.194 1.00 0.00 H new ATOM 0 HB THR A 5 72.321 7.826 -4.357 1.00 0.00 H new ATOM 0 HG1 THR A 5 71.586 8.436 -1.648 1.00 0.00 H new ATOM 0 HG21 THR A 5 71.207 10.021 -4.098 1.00 0.00 H new ATOM 0 HG22 THR A 5 70.128 8.847 -4.888 1.00 0.00 H new ATOM 0 HG23 THR A 5 69.900 9.248 -3.170 1.00 0.00 H new ATOM 86 N LEU A 6 72.368 5.300 -4.525 1.00 0.00 N ATOM 87 CA LEU A 6 73.326 4.207 -4.678 1.00 0.00 C ATOM 88 C LEU A 6 74.445 4.343 -3.657 1.00 0.00 C ATOM 89 O LEU A 6 74.690 3.440 -2.859 1.00 0.00 O ATOM 90 CB LEU A 6 73.931 4.218 -6.084 1.00 0.00 C ATOM 91 CG LEU A 6 74.599 2.910 -6.512 1.00 0.00 C ATOM 92 CD1 LEU A 6 73.547 1.800 -6.586 1.00 0.00 C ATOM 93 CD2 LEU A 6 75.242 3.094 -7.889 1.00 0.00 C ATOM 0 H LEU A 6 72.241 5.871 -5.360 1.00 0.00 H new ATOM 0 HA LEU A 6 72.797 3.267 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 6 73.144 4.458 -6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 6 74.668 5.020 -6.140 1.00 0.00 H new ATOM 0 HG LEU A 6 75.364 2.638 -5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 6 74.023 0.868 -6.891 1.00 0.00 H new ATOM 0 HD12 LEU A 6 73.087 1.669 -5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 6 72.782 2.072 -7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 6 75.718 2.163 -8.195 1.00 0.00 H new ATOM 0 HD22 LEU A 6 74.476 3.366 -8.615 1.00 0.00 H new ATOM 0 HD23 LEU A 6 75.990 3.885 -7.838 1.00 0.00 H new ATOM 105 N SER A 7 75.109 5.497 -3.691 1.00 0.00 N ATOM 106 CA SER A 7 76.216 5.790 -2.770 1.00 0.00 C ATOM 107 C SER A 7 75.849 5.441 -1.325 1.00 0.00 C ATOM 108 O SER A 7 76.678 4.943 -0.560 1.00 0.00 O ATOM 109 CB SER A 7 76.578 7.275 -2.841 1.00 0.00 C ATOM 110 OG SER A 7 77.987 7.420 -2.723 1.00 0.00 O ATOM 0 H SER A 7 74.902 6.250 -4.347 1.00 0.00 H new ATOM 0 HA SER A 7 77.066 5.179 -3.074 1.00 0.00 H new ATOM 0 HB2 SER A 7 76.235 7.700 -3.784 1.00 0.00 H new ATOM 0 HB3 SER A 7 76.076 7.822 -2.043 1.00 0.00 H new ATOM 0 HG SER A 7 78.223 8.370 -2.770 1.00 0.00 H new ATOM 116 N ASP A 8 74.596 5.709 -0.967 1.00 0.00 N ATOM 117 CA ASP A 8 74.123 5.425 0.380 1.00 0.00 C ATOM 118 C ASP A 8 74.225 3.935 0.685 1.00 0.00 C ATOM 119 O ASP A 8 74.823 3.534 1.682 1.00 0.00 O ATOM 120 CB ASP A 8 72.666 5.866 0.535 1.00 0.00 C ATOM 121 CG ASP A 8 72.567 7.385 0.427 1.00 0.00 C ATOM 122 OD1 ASP A 8 73.519 8.054 0.795 1.00 0.00 O ATOM 123 OD2 ASP A 8 71.536 7.859 -0.021 1.00 0.00 O ATOM 0 H ASP A 8 73.897 6.119 -1.587 1.00 0.00 H new ATOM 0 HA ASP A 8 74.750 5.978 1.079 1.00 0.00 H new ATOM 0 HB2 ASP A 8 72.052 5.398 -0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 8 72.278 5.535 1.498 1.00 0.00 H new ATOM 128 N LEU A 9 73.626 3.117 -0.179 1.00 0.00 N ATOM 129 CA LEU A 9 73.652 1.664 0.023 1.00 0.00 C ATOM 130 C LEU A 9 75.084 1.140 0.123 1.00 0.00 C ATOM 131 O LEU A 9 75.387 0.289 0.960 1.00 0.00 O ATOM 132 CB LEU A 9 72.945 0.938 -1.121 1.00 0.00 C ATOM 133 CG LEU A 9 72.808 -0.577 -0.924 1.00 0.00 C ATOM 134 CD1 LEU A 9 71.431 -0.901 -0.338 1.00 0.00 C ATOM 135 CD2 LEU A 9 72.963 -1.291 -2.269 1.00 0.00 C ATOM 0 H LEU A 9 73.125 3.425 -1.012 1.00 0.00 H new ATOM 0 HA LEU A 9 73.131 1.467 0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 9 71.951 1.367 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 9 73.492 1.124 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 9 73.585 -0.917 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 9 71.339 -1.978 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 9 71.318 -0.401 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 9 70.655 -0.555 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 9 72.865 -2.367 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 9 72.190 -0.946 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 9 73.945 -1.070 -2.687 1.00 0.00 H new ATOM 147 N LEU A 10 75.961 1.645 -0.745 1.00 0.00 N ATOM 148 CA LEU A 10 77.365 1.202 -0.746 1.00 0.00 C ATOM 149 C LEU A 10 77.989 1.320 0.643 1.00 0.00 C ATOM 150 O LEU A 10 78.451 0.337 1.214 1.00 0.00 O ATOM 151 CB LEU A 10 78.212 2.019 -1.729 1.00 0.00 C ATOM 152 CG LEU A 10 77.516 2.469 -3.021 1.00 0.00 C ATOM 153 CD1 LEU A 10 78.570 2.939 -4.028 1.00 0.00 C ATOM 154 CD2 LEU A 10 76.702 1.310 -3.626 1.00 0.00 C ATOM 0 H LEU A 10 75.735 2.349 -1.447 1.00 0.00 H new ATOM 0 HA LEU A 10 77.357 0.157 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 10 78.576 2.906 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 10 79.086 1.427 -2.000 1.00 0.00 H new ATOM 0 HG LEU A 10 76.836 3.289 -2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 10 78.078 3.259 -4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 10 79.130 3.774 -3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 10 79.253 2.119 -4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 10 76.215 1.646 -4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.368 0.478 -3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 10 75.946 0.984 -2.911 1.00 0.00 H new ATOM 166 N THR A 11 77.999 2.538 1.174 1.00 0.00 N ATOM 167 CA THR A 11 78.562 2.804 2.490 1.00 0.00 C ATOM 168 C THR A 11 77.939 1.895 3.552 1.00 0.00 C ATOM 169 O THR A 11 78.638 1.263 4.343 1.00 0.00 O ATOM 170 CB THR A 11 78.290 4.262 2.849 1.00 0.00 C ATOM 171 OG1 THR A 11 78.789 5.102 1.818 1.00 0.00 O ATOM 172 CG2 THR A 11 78.976 4.599 4.154 1.00 0.00 C ATOM 0 H THR A 11 77.620 3.362 0.707 1.00 0.00 H new ATOM 0 HA THR A 11 79.634 2.607 2.462 1.00 0.00 H new ATOM 0 HB THR A 11 77.216 4.416 2.956 1.00 0.00 H new ATOM 0 HG1 THR A 11 78.614 6.039 2.046 1.00 0.00 H new ATOM 0 HG21 THR A 11 78.781 5.641 4.409 1.00 0.00 H new ATOM 0 HG22 THR A 11 78.592 3.954 4.944 1.00 0.00 H new ATOM 0 HG23 THR A 11 80.050 4.446 4.051 1.00 0.00 H new ATOM 180 N LEU A 12 76.615 1.840 3.561 1.00 0.00 N ATOM 181 CA LEU A 12 75.901 1.001 4.528 1.00 0.00 C ATOM 182 C LEU A 12 76.331 -0.451 4.378 1.00 0.00 C ATOM 183 O LEU A 12 76.731 -1.104 5.340 1.00 0.00 O ATOM 184 CB LEU A 12 74.394 1.100 4.315 1.00 0.00 C ATOM 185 CG LEU A 12 73.846 2.523 4.287 1.00 0.00 C ATOM 186 CD1 LEU A 12 72.582 2.571 3.429 1.00 0.00 C ATOM 187 CD2 LEU A 12 73.514 2.960 5.711 1.00 0.00 C ATOM 0 H LEU A 12 76.014 2.358 2.920 1.00 0.00 H new ATOM 0 HA LEU A 12 76.145 1.355 5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 12 74.141 0.609 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 12 73.892 0.547 5.109 1.00 0.00 H new ATOM 0 HG LEU A 12 74.593 3.194 3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 12 72.193 3.589 3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 12 72.820 2.255 2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 12 71.831 1.903 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 12 73.122 3.977 5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 12 72.766 2.288 6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 12 74.417 2.927 6.321 1.00 0.00 H new ATOM 199 N LEU A 13 76.261 -0.936 3.145 1.00 0.00 N ATOM 200 CA LEU A 13 76.665 -2.310 2.851 1.00 0.00 C ATOM 201 C LEU A 13 78.139 -2.498 3.207 1.00 0.00 C ATOM 202 O LEU A 13 78.555 -3.558 3.677 1.00 0.00 O ATOM 203 CB LEU A 13 76.457 -2.628 1.368 1.00 0.00 C ATOM 204 CG LEU A 13 75.077 -3.185 1.012 1.00 0.00 C ATOM 205 CD1 LEU A 13 75.014 -3.481 -0.487 1.00 0.00 C ATOM 206 CD2 LEU A 13 74.831 -4.477 1.795 1.00 0.00 C ATOM 0 H LEU A 13 75.932 -0.407 2.338 1.00 0.00 H new ATOM 0 HA LEU A 13 76.051 -2.987 3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 13 76.625 -1.719 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 13 77.214 -3.348 1.057 1.00 0.00 H new ATOM 0 HG LEU A 13 74.314 -2.451 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 13 74.030 -3.878 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 13 75.189 -2.562 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 13 75.778 -4.214 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 13 73.848 -4.874 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 13 75.596 -5.210 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 13 74.874 -4.268 2.864 1.00 0.00 H new ATOM 218 N ARG A 14 78.916 -1.439 2.990 1.00 0.00 N ATOM 219 CA ARG A 14 80.338 -1.458 3.299 1.00 0.00 C ATOM 220 C ARG A 14 80.521 -1.634 4.805 1.00 0.00 C ATOM 221 O ARG A 14 81.392 -2.374 5.261 1.00 0.00 O ATOM 222 CB ARG A 14 80.979 -0.141 2.826 1.00 0.00 C ATOM 223 CG ARG A 14 82.447 -0.056 3.253 1.00 0.00 C ATOM 224 CD ARG A 14 83.003 1.328 2.906 1.00 0.00 C ATOM 225 NE ARG A 14 83.277 2.094 4.125 1.00 0.00 N ATOM 226 CZ ARG A 14 84.267 1.765 4.967 1.00 0.00 C ATOM 227 NH1 ARG A 14 85.041 0.732 4.735 1.00 0.00 N ATOM 228 NH2 ARG A 14 84.465 2.487 6.036 1.00 0.00 N ATOM 0 H ARG A 14 78.581 -0.558 2.601 1.00 0.00 H new ATOM 0 HA ARG A 14 80.823 -2.288 2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 14 80.908 -0.068 1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 14 80.428 0.704 3.239 1.00 0.00 H new ATOM 0 HG2 ARG A 14 82.536 -0.237 4.324 1.00 0.00 H new ATOM 0 HG3 ARG A 14 83.028 -0.829 2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 14 83.918 1.223 2.323 1.00 0.00 H new ATOM 0 HD3 ARG A 14 82.289 1.867 2.284 1.00 0.00 H new ATOM 0 HE ARG A 14 82.695 2.904 4.340 1.00 0.00 H new ATOM 0 HH11 ARG A 14 84.895 0.162 3.902 1.00 0.00 H new ATOM 0 HH12 ARG A 14 85.789 0.498 5.388 1.00 0.00 H new ATOM 0 HH21 ARG A 14 83.869 3.293 6.225 1.00 0.00 H new ATOM 0 HH22 ARG A 14 85.216 2.245 6.683 1.00 0.00 H new ATOM 242 N GLU A 15 79.669 -0.954 5.569 1.00 0.00 N ATOM 243 CA GLU A 15 79.722 -1.049 7.022 1.00 0.00 C ATOM 244 C GLU A 15 79.288 -2.445 7.454 1.00 0.00 C ATOM 245 O GLU A 15 79.936 -3.091 8.277 1.00 0.00 O ATOM 246 CB GLU A 15 78.795 -0.008 7.661 1.00 0.00 C ATOM 247 CG GLU A 15 78.921 -0.057 9.192 1.00 0.00 C ATOM 248 CD GLU A 15 79.538 1.241 9.706 1.00 0.00 C ATOM 249 OE1 GLU A 15 80.522 1.676 9.130 1.00 0.00 O ATOM 250 OE2 GLU A 15 79.017 1.782 10.668 1.00 0.00 O ATOM 0 H GLU A 15 78.941 -0.337 5.209 1.00 0.00 H new ATOM 0 HA GLU A 15 80.744 -0.859 7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 15 79.050 0.988 7.299 1.00 0.00 H new ATOM 0 HB3 GLU A 15 77.763 -0.200 7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 15 77.939 -0.206 9.641 1.00 0.00 H new ATOM 0 HG3 GLU A 15 79.539 -0.905 9.488 1.00 0.00 H new ATOM 257 N CYS A 16 78.180 -2.901 6.875 1.00 0.00 N ATOM 258 CA CYS A 16 77.646 -4.229 7.183 1.00 0.00 C ATOM 259 C CYS A 16 78.696 -5.306 6.917 1.00 0.00 C ATOM 260 O CYS A 16 79.095 -6.045 7.817 1.00 0.00 O ATOM 261 CB CYS A 16 76.416 -4.519 6.321 1.00 0.00 C ATOM 262 SG CYS A 16 75.609 -6.031 6.903 1.00 0.00 S ATOM 0 H CYS A 16 77.635 -2.374 6.192 1.00 0.00 H new ATOM 0 HA CYS A 16 77.370 -4.243 8.237 1.00 0.00 H new ATOM 0 HB2 CYS A 16 75.720 -3.682 6.369 1.00 0.00 H new ATOM 0 HB3 CYS A 16 76.709 -4.630 5.277 1.00 0.00 H new ATOM 0 HG CYS A 16 74.356 -6.014 6.558 1.00 0.00 H new ATOM 268 N ALA A 17 79.136 -5.378 5.667 1.00 0.00 N ATOM 269 CA ALA A 17 80.143 -6.362 5.276 1.00 0.00 C ATOM 270 C ALA A 17 81.439 -6.131 6.044 1.00 0.00 C ATOM 271 O ALA A 17 82.081 -7.074 6.508 1.00 0.00 O ATOM 272 CB ALA A 17 80.429 -6.270 3.776 1.00 0.00 C ATOM 0 H ALA A 17 78.816 -4.773 4.911 1.00 0.00 H new ATOM 0 HA ALA A 17 79.753 -7.353 5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 17 81.181 -7.010 3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 17 79.512 -6.462 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 17 80.798 -5.273 3.536 1.00 0.00 H new ATOM 278 N GLY A 18 81.815 -4.862 6.175 1.00 0.00 N ATOM 279 CA GLY A 18 83.036 -4.508 6.893 1.00 0.00 C ATOM 280 C GLY A 18 84.223 -4.337 5.943 1.00 0.00 C ATOM 281 O GLY A 18 85.377 -4.355 6.370 1.00 0.00 O ATOM 0 H GLY A 18 81.298 -4.068 5.797 1.00 0.00 H new ATOM 0 HA2 GLY A 18 82.877 -3.583 7.447 1.00 0.00 H new ATOM 0 HA3 GLY A 18 83.265 -5.282 7.625 1.00 0.00 H new ATOM 285 N GLU A 19 83.937 -4.166 4.650 1.00 0.00 N ATOM 286 CA GLU A 19 85.003 -3.990 3.670 1.00 0.00 C ATOM 287 C GLU A 19 85.629 -2.605 3.818 1.00 0.00 C ATOM 288 O GLU A 19 85.294 -1.853 4.734 1.00 0.00 O ATOM 289 CB GLU A 19 84.463 -4.164 2.245 1.00 0.00 C ATOM 290 CG GLU A 19 83.342 -3.153 1.978 1.00 0.00 C ATOM 291 CD GLU A 19 82.229 -3.818 1.175 1.00 0.00 C ATOM 292 OE1 GLU A 19 81.812 -4.898 1.560 1.00 0.00 O ATOM 293 OE2 GLU A 19 81.810 -3.238 0.187 1.00 0.00 O ATOM 0 H GLU A 19 82.993 -4.146 4.265 1.00 0.00 H new ATOM 0 HA GLU A 19 85.763 -4.750 3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 19 85.268 -4.025 1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 19 84.087 -5.179 2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 19 82.947 -2.776 2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 19 83.735 -2.296 1.432 1.00 0.00 H new ATOM 300 N GLU A 20 86.548 -2.276 2.914 1.00 0.00 N ATOM 301 CA GLU A 20 87.219 -0.978 2.965 1.00 0.00 C ATOM 302 C GLU A 20 86.913 -0.157 1.711 1.00 0.00 C ATOM 303 O GLU A 20 87.807 0.425 1.095 1.00 0.00 O ATOM 304 CB GLU A 20 88.734 -1.169 3.088 1.00 0.00 C ATOM 305 CG GLU A 20 89.394 0.177 3.393 1.00 0.00 C ATOM 306 CD GLU A 20 90.645 -0.048 4.237 1.00 0.00 C ATOM 307 OE1 GLU A 20 90.507 -0.164 5.443 1.00 0.00 O ATOM 308 OE2 GLU A 20 91.720 -0.102 3.665 1.00 0.00 O ATOM 0 H GLU A 20 86.843 -2.880 2.147 1.00 0.00 H new ATOM 0 HA GLU A 20 86.847 -0.442 3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 20 88.958 -1.884 3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 20 89.136 -1.582 2.163 1.00 0.00 H new ATOM 0 HG2 GLU A 20 89.656 0.684 2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 20 88.696 0.824 3.924 1.00 0.00 H new ATOM 315 N GLU A 21 85.633 -0.112 1.344 1.00 0.00 N ATOM 316 CA GLU A 21 85.209 0.645 0.165 1.00 0.00 C ATOM 317 C GLU A 21 83.702 0.506 -0.039 1.00 0.00 C ATOM 318 O GLU A 21 83.059 -0.367 0.541 1.00 0.00 O ATOM 319 CB GLU A 21 85.939 0.141 -1.093 1.00 0.00 C ATOM 320 CG GLU A 21 87.015 1.149 -1.503 1.00 0.00 C ATOM 321 CD GLU A 21 88.232 0.407 -2.048 1.00 0.00 C ATOM 322 OE1 GLU A 21 88.153 -0.078 -3.165 1.00 0.00 O ATOM 323 OE2 GLU A 21 89.222 0.334 -1.341 1.00 0.00 O ATOM 0 H GLU A 21 84.878 -0.585 1.840 1.00 0.00 H new ATOM 0 HA GLU A 21 85.459 1.693 0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 21 86.393 -0.831 -0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 21 85.228 0.002 -1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 21 86.622 1.828 -2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 21 87.302 1.758 -0.646 1.00 0.00 H new ATOM 330 N SER A 22 83.149 1.379 -0.880 1.00 0.00 N ATOM 331 CA SER A 22 81.714 1.349 -1.168 1.00 0.00 C ATOM 332 C SER A 22 81.328 -0.001 -1.768 1.00 0.00 C ATOM 333 O SER A 22 80.801 -0.873 -1.076 1.00 0.00 O ATOM 334 CB SER A 22 81.329 2.481 -2.135 1.00 0.00 C ATOM 335 OG SER A 22 82.502 3.032 -2.721 1.00 0.00 O ATOM 0 H SER A 22 83.666 2.109 -1.370 1.00 0.00 H new ATOM 0 HA SER A 22 81.173 1.494 -0.233 1.00 0.00 H new ATOM 0 HB2 SER A 22 80.668 2.099 -2.913 1.00 0.00 H new ATOM 0 HB3 SER A 22 80.779 3.256 -1.602 1.00 0.00 H new ATOM 0 HG SER A 22 82.253 3.752 -3.338 1.00 0.00 H new ATOM 341 N ILE A 23 81.607 -0.169 -3.054 1.00 0.00 N ATOM 342 CA ILE A 23 81.296 -1.419 -3.728 1.00 0.00 C ATOM 343 C ILE A 23 82.539 -1.945 -4.437 1.00 0.00 C ATOM 344 O ILE A 23 82.660 -1.876 -5.661 1.00 0.00 O ATOM 345 CB ILE A 23 80.171 -1.224 -4.744 1.00 0.00 C ATOM 346 CG1 ILE A 23 78.934 -0.631 -4.050 1.00 0.00 C ATOM 347 CG2 ILE A 23 79.818 -2.572 -5.364 1.00 0.00 C ATOM 348 CD1 ILE A 23 78.446 -1.561 -2.931 1.00 0.00 C ATOM 0 H ILE A 23 82.044 0.538 -3.645 1.00 0.00 H new ATOM 0 HA ILE A 23 80.967 -2.140 -2.980 1.00 0.00 H new ATOM 0 HB ILE A 23 80.500 -0.537 -5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 23 79.176 0.348 -3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 23 78.138 -0.481 -4.779 1.00 0.00 H new ATOM 0 HG21 ILE A 23 79.016 -2.440 -6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 23 80.695 -2.984 -5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 23 79.491 -3.257 -4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 23 77.570 -1.125 -2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 23 78.183 -2.531 -3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 23 79.238 -1.689 -2.193 1.00 0.00 H new ATOM 360 N ASP A 24 83.460 -2.470 -3.646 1.00 0.00 N ATOM 361 CA ASP A 24 84.701 -3.009 -4.192 1.00 0.00 C ATOM 362 C ASP A 24 84.452 -4.317 -4.945 1.00 0.00 C ATOM 363 O ASP A 24 85.229 -4.694 -5.822 1.00 0.00 O ATOM 364 CB ASP A 24 85.712 -3.265 -3.073 1.00 0.00 C ATOM 365 CG ASP A 24 87.098 -3.469 -3.674 1.00 0.00 C ATOM 366 OD1 ASP A 24 87.391 -4.584 -4.072 1.00 0.00 O ATOM 367 OD2 ASP A 24 87.846 -2.506 -3.727 1.00 0.00 O ATOM 0 H ASP A 24 83.376 -2.536 -2.632 1.00 0.00 H new ATOM 0 HA ASP A 24 85.100 -2.270 -4.887 1.00 0.00 H new ATOM 0 HB2 ASP A 24 85.725 -2.423 -2.381 1.00 0.00 H new ATOM 0 HB3 ASP A 24 85.420 -4.145 -2.499 1.00 0.00 H new ATOM 372 N LEU A 25 83.369 -5.009 -4.597 1.00 0.00 N ATOM 373 CA LEU A 25 83.049 -6.273 -5.256 1.00 0.00 C ATOM 374 C LEU A 25 81.682 -6.204 -5.936 1.00 0.00 C ATOM 375 O LEU A 25 80.889 -7.144 -5.870 1.00 0.00 O ATOM 376 CB LEU A 25 83.048 -7.417 -4.239 1.00 0.00 C ATOM 377 CG LEU A 25 82.422 -7.080 -2.883 1.00 0.00 C ATOM 378 CD1 LEU A 25 80.921 -6.845 -3.058 1.00 0.00 C ATOM 379 CD2 LEU A 25 82.645 -8.246 -1.916 1.00 0.00 C ATOM 0 H LEU A 25 82.708 -4.722 -3.875 1.00 0.00 H new ATOM 0 HA LEU A 25 83.812 -6.457 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 25 82.513 -8.264 -4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 25 84.077 -7.739 -4.077 1.00 0.00 H new ATOM 0 HG LEU A 25 82.887 -6.179 -2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 25 80.475 -6.605 -2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 25 80.760 -6.016 -3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 25 80.456 -7.746 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 25 82.200 -8.008 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 25 82.180 -9.146 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 25 83.714 -8.415 -1.791 1.00 0.00 H new ATOM 391 N GLY A 26 81.413 -5.079 -6.596 1.00 0.00 N ATOM 392 CA GLY A 26 80.134 -4.909 -7.287 1.00 0.00 C ATOM 393 C GLY A 26 80.137 -3.650 -8.151 1.00 0.00 C ATOM 394 O GLY A 26 79.137 -2.939 -8.243 1.00 0.00 O ATOM 0 H GLY A 26 82.049 -4.285 -6.668 1.00 0.00 H new ATOM 0 HA2 GLY A 26 79.936 -5.781 -7.911 1.00 0.00 H new ATOM 0 HA3 GLY A 26 79.328 -4.850 -6.556 1.00 0.00 H new ATOM 398 N GLY A 27 81.275 -3.383 -8.786 1.00 0.00 N ATOM 399 CA GLY A 27 81.413 -2.202 -9.649 1.00 0.00 C ATOM 400 C GLY A 27 80.222 -2.048 -10.600 1.00 0.00 C ATOM 401 O GLY A 27 79.591 -0.993 -10.659 1.00 0.00 O ATOM 0 H GLY A 27 82.113 -3.961 -8.723 1.00 0.00 H new ATOM 0 HA2 GLY A 27 81.502 -1.309 -9.031 1.00 0.00 H new ATOM 0 HA3 GLY A 27 82.333 -2.281 -10.229 1.00 0.00 H new ATOM 405 N ASP A 28 79.926 -3.111 -11.344 1.00 0.00 N ATOM 406 CA ASP A 28 78.823 -3.089 -12.287 1.00 0.00 C ATOM 407 C ASP A 28 77.859 -4.246 -12.018 1.00 0.00 C ATOM 408 O ASP A 28 77.841 -5.242 -12.743 1.00 0.00 O ATOM 409 CB ASP A 28 79.348 -3.196 -13.720 1.00 0.00 C ATOM 410 CG ASP A 28 80.368 -4.328 -13.827 1.00 0.00 C ATOM 411 OD1 ASP A 28 81.398 -4.234 -13.179 1.00 0.00 O ATOM 412 OD2 ASP A 28 80.105 -5.270 -14.557 1.00 0.00 O ATOM 0 H ASP A 28 80.436 -3.994 -11.309 1.00 0.00 H new ATOM 0 HA ASP A 28 78.292 -2.145 -12.162 1.00 0.00 H new ATOM 0 HB2 ASP A 28 78.520 -3.377 -14.405 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.808 -2.254 -14.018 1.00 0.00 H new ATOM 417 N VAL A 29 77.054 -4.105 -10.967 1.00 0.00 N ATOM 418 CA VAL A 29 76.088 -5.145 -10.614 1.00 0.00 C ATOM 419 C VAL A 29 74.911 -4.561 -9.833 1.00 0.00 C ATOM 420 O VAL A 29 74.278 -5.247 -9.033 1.00 0.00 O ATOM 421 CB VAL A 29 76.757 -6.230 -9.769 1.00 0.00 C ATOM 422 CG1 VAL A 29 77.816 -6.952 -10.604 1.00 0.00 C ATOM 423 CG2 VAL A 29 77.423 -5.586 -8.553 1.00 0.00 C ATOM 0 H VAL A 29 77.050 -3.292 -10.351 1.00 0.00 H new ATOM 0 HA VAL A 29 75.718 -5.578 -11.543 1.00 0.00 H new ATOM 0 HB VAL A 29 76.005 -6.947 -9.439 1.00 0.00 H new ATOM 0 HG11 VAL A 29 78.291 -7.725 -10.000 1.00 0.00 H new ATOM 0 HG12 VAL A 29 77.344 -7.410 -11.473 1.00 0.00 H new ATOM 0 HG13 VAL A 29 78.568 -6.236 -10.935 1.00 0.00 H new ATOM 0 HG21 VAL A 29 77.901 -6.357 -7.949 1.00 0.00 H new ATOM 0 HG22 VAL A 29 78.174 -4.869 -8.886 1.00 0.00 H new ATOM 0 HG23 VAL A 29 76.670 -5.072 -7.956 1.00 0.00 H new ATOM 433 N GLU A 30 74.617 -3.288 -10.085 1.00 0.00 N ATOM 434 CA GLU A 30 73.507 -2.618 -9.414 1.00 0.00 C ATOM 435 C GLU A 30 72.175 -3.297 -9.738 1.00 0.00 C ATOM 436 O GLU A 30 71.193 -3.144 -9.012 1.00 0.00 O ATOM 437 CB GLU A 30 73.448 -1.159 -9.860 1.00 0.00 C ATOM 438 CG GLU A 30 73.257 -1.081 -11.380 1.00 0.00 C ATOM 439 CD GLU A 30 74.053 0.094 -11.938 1.00 0.00 C ATOM 440 OE1 GLU A 30 73.978 1.164 -11.356 1.00 0.00 O ATOM 441 OE2 GLU A 30 74.726 -0.093 -12.938 1.00 0.00 O ATOM 0 H GLU A 30 75.129 -2.703 -10.745 1.00 0.00 H new ATOM 0 HA GLU A 30 73.673 -2.677 -8.338 1.00 0.00 H new ATOM 0 HB2 GLU A 30 72.627 -0.649 -9.356 1.00 0.00 H new ATOM 0 HB3 GLU A 30 74.366 -0.646 -9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.586 -2.010 -11.846 1.00 0.00 H new ATOM 0 HG3 GLU A 30 72.200 -0.962 -11.618 1.00 0.00 H new ATOM 448 N ASP A 31 72.152 -4.041 -10.838 1.00 0.00 N ATOM 449 CA ASP A 31 70.944 -4.736 -11.255 1.00 0.00 C ATOM 450 C ASP A 31 71.149 -6.253 -11.221 1.00 0.00 C ATOM 451 O ASP A 31 70.446 -7.002 -11.898 1.00 0.00 O ATOM 452 CB ASP A 31 70.550 -4.308 -12.671 1.00 0.00 C ATOM 453 CG ASP A 31 69.825 -2.969 -12.612 1.00 0.00 C ATOM 454 OD1 ASP A 31 68.871 -2.867 -11.858 1.00 0.00 O ATOM 455 OD2 ASP A 31 70.231 -2.065 -13.323 1.00 0.00 O ATOM 0 H ASP A 31 72.954 -4.177 -11.454 1.00 0.00 H new ATOM 0 HA ASP A 31 70.147 -4.473 -10.560 1.00 0.00 H new ATOM 0 HB2 ASP A 31 71.438 -4.226 -13.298 1.00 0.00 H new ATOM 0 HB3 ASP A 31 69.907 -5.062 -13.125 1.00 0.00 H new ATOM 460 N VAL A 32 72.106 -6.699 -10.402 1.00 0.00 N ATOM 461 CA VAL A 32 72.375 -8.128 -10.263 1.00 0.00 C ATOM 462 C VAL A 32 71.930 -8.590 -8.879 1.00 0.00 C ATOM 463 O VAL A 32 72.034 -7.846 -7.904 1.00 0.00 O ATOM 464 CB VAL A 32 73.868 -8.426 -10.428 1.00 0.00 C ATOM 465 CG1 VAL A 32 74.069 -9.933 -10.563 1.00 0.00 C ATOM 466 CG2 VAL A 32 74.403 -7.730 -11.683 1.00 0.00 C ATOM 0 H VAL A 32 72.700 -6.097 -9.832 1.00 0.00 H new ATOM 0 HA VAL A 32 71.824 -8.658 -11.040 1.00 0.00 H new ATOM 0 HB VAL A 32 74.407 -8.057 -9.555 1.00 0.00 H new ATOM 0 HG11 VAL A 32 75.131 -10.149 -10.681 1.00 0.00 H new ATOM 0 HG12 VAL A 32 73.694 -10.432 -9.669 1.00 0.00 H new ATOM 0 HG13 VAL A 32 73.526 -10.296 -11.436 1.00 0.00 H new ATOM 0 HG21 VAL A 32 75.466 -7.946 -11.794 1.00 0.00 H new ATOM 0 HG22 VAL A 32 73.865 -8.094 -12.558 1.00 0.00 H new ATOM 0 HG23 VAL A 32 74.260 -6.653 -11.591 1.00 0.00 H new ATOM 476 N ALA A 33 71.418 -9.816 -8.799 1.00 0.00 N ATOM 477 CA ALA A 33 70.942 -10.350 -7.520 1.00 0.00 C ATOM 478 C ALA A 33 72.030 -10.292 -6.448 1.00 0.00 C ATOM 479 O ALA A 33 73.224 -10.369 -6.741 1.00 0.00 O ATOM 480 CB ALA A 33 70.480 -11.798 -7.674 1.00 0.00 C ATOM 0 H ALA A 33 71.322 -10.452 -9.590 1.00 0.00 H new ATOM 0 HA ALA A 33 70.103 -9.727 -7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 33 70.131 -12.173 -6.712 1.00 0.00 H new ATOM 0 HB2 ALA A 33 69.667 -11.845 -8.398 1.00 0.00 H new ATOM 0 HB3 ALA A 33 71.312 -12.410 -8.022 1.00 0.00 H new ATOM 486 N PHE A 34 71.588 -10.155 -5.200 1.00 0.00 N ATOM 487 CA PHE A 34 72.504 -10.083 -4.058 1.00 0.00 C ATOM 488 C PHE A 34 73.479 -11.260 -4.048 1.00 0.00 C ATOM 489 O PHE A 34 74.651 -11.111 -3.702 1.00 0.00 O ATOM 490 CB PHE A 34 71.713 -10.101 -2.751 1.00 0.00 C ATOM 491 CG PHE A 34 71.101 -8.743 -2.511 1.00 0.00 C ATOM 492 CD1 PHE A 34 71.920 -7.639 -2.246 1.00 0.00 C ATOM 493 CD2 PHE A 34 69.712 -8.590 -2.549 1.00 0.00 C ATOM 494 CE1 PHE A 34 71.350 -6.385 -2.020 1.00 0.00 C ATOM 495 CE2 PHE A 34 69.142 -7.333 -2.323 1.00 0.00 C ATOM 496 CZ PHE A 34 69.961 -6.232 -2.059 1.00 0.00 C ATOM 0 H PHE A 34 70.601 -10.091 -4.951 1.00 0.00 H new ATOM 0 HA PHE A 34 73.068 -9.155 -4.151 1.00 0.00 H new ATOM 0 HB2 PHE A 34 70.932 -10.860 -2.797 1.00 0.00 H new ATOM 0 HB3 PHE A 34 72.368 -10.368 -1.921 1.00 0.00 H new ATOM 0 HD1 PHE A 34 72.993 -7.758 -2.216 1.00 0.00 H new ATOM 0 HD2 PHE A 34 69.080 -9.442 -2.753 1.00 0.00 H new ATOM 0 HE1 PHE A 34 71.982 -5.533 -1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 34 68.069 -7.213 -2.353 1.00 0.00 H new ATOM 0 HZ PHE A 34 69.520 -5.262 -1.885 1.00 0.00 H new ATOM 506 N ASP A 35 72.978 -12.435 -4.424 1.00 0.00 N ATOM 507 CA ASP A 35 73.810 -13.641 -4.449 1.00 0.00 C ATOM 508 C ASP A 35 75.024 -13.443 -5.355 1.00 0.00 C ATOM 509 O ASP A 35 76.090 -14.014 -5.120 1.00 0.00 O ATOM 510 CB ASP A 35 73.002 -14.844 -4.948 1.00 0.00 C ATOM 511 CG ASP A 35 73.827 -16.118 -4.787 1.00 0.00 C ATOM 512 OD1 ASP A 35 74.486 -16.248 -3.769 1.00 0.00 O ATOM 513 OD2 ASP A 35 73.784 -16.945 -5.683 1.00 0.00 O ATOM 0 H ASP A 35 72.011 -12.580 -4.713 1.00 0.00 H new ATOM 0 HA ASP A 35 74.149 -13.830 -3.431 1.00 0.00 H new ATOM 0 HB2 ASP A 35 72.072 -14.928 -4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 35 72.731 -14.704 -5.994 1.00 0.00 H new ATOM 518 N ALA A 36 74.850 -12.631 -6.393 1.00 0.00 N ATOM 519 CA ALA A 36 75.935 -12.366 -7.329 1.00 0.00 C ATOM 520 C ALA A 36 76.916 -11.352 -6.746 1.00 0.00 C ATOM 521 O ALA A 36 78.131 -11.496 -6.881 1.00 0.00 O ATOM 522 CB ALA A 36 75.383 -11.824 -8.646 1.00 0.00 C ATOM 0 H ALA A 36 73.976 -12.149 -6.606 1.00 0.00 H new ATOM 0 HA ALA A 36 76.455 -13.306 -7.511 1.00 0.00 H new ATOM 0 HB1 ALA A 36 76.206 -11.631 -9.334 1.00 0.00 H new ATOM 0 HB2 ALA A 36 74.707 -12.557 -9.086 1.00 0.00 H new ATOM 0 HB3 ALA A 36 74.842 -10.897 -8.459 1.00 0.00 H new ATOM 528 N LEU A 37 76.374 -10.325 -6.096 1.00 0.00 N ATOM 529 CA LEU A 37 77.215 -9.290 -5.498 1.00 0.00 C ATOM 530 C LEU A 37 78.073 -9.882 -4.386 1.00 0.00 C ATOM 531 O LEU A 37 79.199 -9.441 -4.147 1.00 0.00 O ATOM 532 CB LEU A 37 76.364 -8.158 -4.912 1.00 0.00 C ATOM 533 CG LEU A 37 75.065 -7.837 -5.664 1.00 0.00 C ATOM 534 CD1 LEU A 37 74.470 -6.536 -5.118 1.00 0.00 C ATOM 535 CD2 LEU A 37 75.356 -7.678 -7.161 1.00 0.00 C ATOM 0 H LEU A 37 75.371 -10.187 -5.971 1.00 0.00 H new ATOM 0 HA LEU A 37 77.852 -8.888 -6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 37 76.111 -8.415 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 37 76.972 -7.254 -4.875 1.00 0.00 H new ATOM 0 HG LEU A 37 74.356 -8.652 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 37 73.547 -6.306 -5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 37 74.256 -6.651 -4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 37 75.182 -5.723 -5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 37 74.430 -7.450 -7.689 1.00 0.00 H new ATOM 0 HD22 LEU A 37 76.068 -6.866 -7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 37 75.777 -8.605 -7.550 1.00 0.00 H new ATOM 547 N GLY A 38 77.527 -10.882 -3.704 1.00 0.00 N ATOM 548 CA GLY A 38 78.245 -11.529 -2.610 1.00 0.00 C ATOM 549 C GLY A 38 77.422 -11.534 -1.316 1.00 0.00 C ATOM 550 O GLY A 38 77.863 -12.066 -0.298 1.00 0.00 O ATOM 0 H GLY A 38 76.598 -11.261 -3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 38 78.489 -12.554 -2.890 1.00 0.00 H new ATOM 0 HA3 GLY A 38 79.189 -11.012 -2.439 1.00 0.00 H new ATOM 554 N TYR A 39 76.224 -10.941 -1.356 1.00 0.00 N ATOM 555 CA TYR A 39 75.374 -10.901 -0.171 1.00 0.00 C ATOM 556 C TYR A 39 74.405 -12.077 -0.182 1.00 0.00 C ATOM 557 O TYR A 39 74.213 -12.733 -1.206 1.00 0.00 O ATOM 558 CB TYR A 39 74.576 -9.596 -0.122 1.00 0.00 C ATOM 559 CG TYR A 39 75.507 -8.417 -0.274 1.00 0.00 C ATOM 560 CD1 TYR A 39 76.307 -8.016 0.801 1.00 0.00 C ATOM 561 CD2 TYR A 39 75.568 -7.725 -1.489 1.00 0.00 C ATOM 562 CE1 TYR A 39 77.168 -6.921 0.662 1.00 0.00 C ATOM 563 CE2 TYR A 39 76.428 -6.630 -1.628 1.00 0.00 C ATOM 564 CZ TYR A 39 77.229 -6.228 -0.552 1.00 0.00 C ATOM 565 OH TYR A 39 78.078 -5.149 -0.690 1.00 0.00 O ATOM 0 H TYR A 39 75.830 -10.491 -2.182 1.00 0.00 H new ATOM 0 HA TYR A 39 76.016 -10.961 0.708 1.00 0.00 H new ATOM 0 HB2 TYR A 39 73.830 -9.586 -0.917 1.00 0.00 H new ATOM 0 HB3 TYR A 39 74.037 -9.525 0.823 1.00 0.00 H new ATOM 0 HD1 TYR A 39 76.260 -8.551 1.738 1.00 0.00 H new ATOM 0 HD2 TYR A 39 74.951 -8.036 -2.319 1.00 0.00 H new ATOM 0 HE1 TYR A 39 77.785 -6.611 1.492 1.00 0.00 H new ATOM 0 HE2 TYR A 39 76.474 -6.095 -2.565 1.00 0.00 H new ATOM 0 HH TYR A 39 77.998 -4.783 -1.596 1.00 0.00 H new ATOM 575 N ASP A 40 73.797 -12.339 0.970 1.00 0.00 N ATOM 576 CA ASP A 40 72.848 -13.443 1.085 1.00 0.00 C ATOM 577 C ASP A 40 71.481 -12.926 1.510 1.00 0.00 C ATOM 578 O ASP A 40 70.478 -13.125 0.825 1.00 0.00 O ATOM 579 CB ASP A 40 73.340 -14.464 2.115 1.00 0.00 C ATOM 580 CG ASP A 40 74.125 -15.565 1.410 1.00 0.00 C ATOM 581 OD1 ASP A 40 75.053 -15.235 0.690 1.00 0.00 O ATOM 582 OD2 ASP A 40 73.787 -16.722 1.600 1.00 0.00 O ATOM 0 H ASP A 40 73.941 -11.809 1.829 1.00 0.00 H new ATOM 0 HA ASP A 40 72.766 -13.922 0.109 1.00 0.00 H new ATOM 0 HB2 ASP A 40 73.970 -13.973 2.857 1.00 0.00 H new ATOM 0 HB3 ASP A 40 72.493 -14.893 2.650 1.00 0.00 H new ATOM 587 N SER A 41 71.461 -12.260 2.657 1.00 0.00 N ATOM 588 CA SER A 41 70.226 -11.700 3.209 1.00 0.00 C ATOM 589 C SER A 41 70.486 -11.195 4.622 1.00 0.00 C ATOM 590 O SER A 41 69.953 -10.169 5.041 1.00 0.00 O ATOM 591 CB SER A 41 69.110 -12.752 3.257 1.00 0.00 C ATOM 592 OG SER A 41 68.356 -12.692 2.053 1.00 0.00 O ATOM 0 H SER A 41 72.289 -12.092 3.229 1.00 0.00 H new ATOM 0 HA SER A 41 69.907 -10.882 2.563 1.00 0.00 H new ATOM 0 HB2 SER A 41 69.537 -13.747 3.383 1.00 0.00 H new ATOM 0 HB3 SER A 41 68.462 -12.573 4.115 1.00 0.00 H new ATOM 0 HG SER A 41 68.813 -13.205 1.355 1.00 0.00 H new ATOM 598 N LEU A 42 71.328 -11.933 5.347 1.00 0.00 N ATOM 599 CA LEU A 42 71.676 -11.567 6.716 1.00 0.00 C ATOM 600 C LEU A 42 72.278 -10.159 6.741 1.00 0.00 C ATOM 601 O LEU A 42 71.834 -9.292 7.494 1.00 0.00 O ATOM 602 CB LEU A 42 72.662 -12.610 7.285 1.00 0.00 C ATOM 603 CG LEU A 42 73.676 -12.111 8.321 1.00 0.00 C ATOM 604 CD1 LEU A 42 72.940 -11.420 9.470 1.00 0.00 C ATOM 605 CD2 LEU A 42 74.476 -13.297 8.867 1.00 0.00 C ATOM 0 H LEU A 42 71.778 -12.783 5.009 1.00 0.00 H new ATOM 0 HA LEU A 42 70.782 -11.559 7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 42 72.082 -13.414 7.738 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.214 -13.045 6.452 1.00 0.00 H new ATOM 0 HG LEU A 42 74.355 -11.401 7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 42 73.663 -11.066 10.205 1.00 0.00 H new ATOM 0 HD12 LEU A 42 72.373 -10.574 9.082 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.258 -12.127 9.943 1.00 0.00 H new ATOM 0 HD21 LEU A 42 75.197 -12.942 9.603 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.797 -14.008 9.338 1.00 0.00 H new ATOM 0 HD23 LEU A 42 75.005 -13.787 8.049 1.00 0.00 H new ATOM 617 N ALA A 43 73.283 -9.943 5.899 1.00 0.00 N ATOM 618 CA ALA A 43 73.923 -8.635 5.822 1.00 0.00 C ATOM 619 C ALA A 43 72.929 -7.604 5.304 1.00 0.00 C ATOM 620 O ALA A 43 72.961 -6.440 5.695 1.00 0.00 O ATOM 621 CB ALA A 43 75.133 -8.680 4.887 1.00 0.00 C ATOM 0 H ALA A 43 73.668 -10.646 5.268 1.00 0.00 H new ATOM 0 HA ALA A 43 74.257 -8.358 6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 43 75.596 -7.694 4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 43 75.856 -9.404 5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 43 74.810 -8.974 3.888 1.00 0.00 H new ATOM 627 N LEU A 44 72.034 -8.053 4.426 1.00 0.00 N ATOM 628 CA LEU A 44 71.023 -7.166 3.868 1.00 0.00 C ATOM 629 C LEU A 44 70.095 -6.686 4.977 1.00 0.00 C ATOM 630 O LEU A 44 69.753 -5.506 5.059 1.00 0.00 O ATOM 631 CB LEU A 44 70.210 -7.904 2.799 1.00 0.00 C ATOM 632 CG LEU A 44 70.658 -7.664 1.357 1.00 0.00 C ATOM 633 CD1 LEU A 44 70.401 -6.203 0.977 1.00 0.00 C ATOM 634 CD2 LEU A 44 72.150 -7.966 1.217 1.00 0.00 C ATOM 0 H LEU A 44 71.990 -9.015 4.090 1.00 0.00 H new ATOM 0 HA LEU A 44 71.516 -6.308 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 44 70.258 -8.974 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 44 69.165 -7.608 2.892 1.00 0.00 H new ATOM 0 HG LEU A 44 70.093 -8.321 0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 44 70.721 -6.033 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 44 69.337 -5.986 1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 44 70.962 -5.549 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 44 72.461 -7.793 0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 44 72.717 -7.315 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 44 72.337 -9.007 1.482 1.00 0.00 H new ATOM 646 N LEU A 45 69.699 -7.622 5.834 1.00 0.00 N ATOM 647 CA LEU A 45 68.814 -7.306 6.956 1.00 0.00 C ATOM 648 C LEU A 45 69.444 -6.234 7.844 1.00 0.00 C ATOM 649 O LEU A 45 68.766 -5.323 8.321 1.00 0.00 O ATOM 650 CB LEU A 45 68.547 -8.571 7.786 1.00 0.00 C ATOM 651 CG LEU A 45 67.833 -8.353 9.126 1.00 0.00 C ATOM 652 CD1 LEU A 45 66.559 -7.535 8.906 1.00 0.00 C ATOM 653 CD2 LEU A 45 67.467 -9.710 9.733 1.00 0.00 C ATOM 0 H LEU A 45 69.974 -8.602 5.776 1.00 0.00 H new ATOM 0 HA LEU A 45 67.871 -6.929 6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.950 -9.257 7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 45 69.500 -9.063 7.980 1.00 0.00 H new ATOM 0 HG LEU A 45 68.495 -7.814 9.804 1.00 0.00 H new ATOM 0 HD11 LEU A 45 66.055 -7.383 9.860 1.00 0.00 H new ATOM 0 HD12 LEU A 45 66.817 -6.568 8.474 1.00 0.00 H new ATOM 0 HD13 LEU A 45 65.896 -8.070 8.227 1.00 0.00 H new ATOM 0 HD21 LEU A 45 66.959 -9.558 10.685 1.00 0.00 H new ATOM 0 HD22 LEU A 45 66.807 -10.247 9.052 1.00 0.00 H new ATOM 0 HD23 LEU A 45 68.374 -10.293 9.894 1.00 0.00 H new ATOM 665 N ASN A 46 70.749 -6.357 8.058 1.00 0.00 N ATOM 666 CA ASN A 46 71.468 -5.398 8.888 1.00 0.00 C ATOM 667 C ASN A 46 71.495 -4.028 8.222 1.00 0.00 C ATOM 668 O ASN A 46 71.127 -3.022 8.827 1.00 0.00 O ATOM 669 CB ASN A 46 72.905 -5.864 9.122 1.00 0.00 C ATOM 670 CG ASN A 46 72.928 -6.915 10.224 1.00 0.00 C ATOM 671 OD1 ASN A 46 72.583 -6.629 11.372 1.00 0.00 O ATOM 672 ND2 ASN A 46 73.317 -8.126 9.942 1.00 0.00 N ATOM 0 H ASN A 46 71.326 -7.104 7.672 1.00 0.00 H new ATOM 0 HA ASN A 46 70.948 -5.327 9.843 1.00 0.00 H new ATOM 0 HB2 ASN A 46 73.318 -6.278 8.202 1.00 0.00 H new ATOM 0 HB3 ASN A 46 73.532 -5.017 9.400 1.00 0.00 H new ATOM 0 HD21 ASN A 46 73.336 -8.838 10.672 1.00 0.00 H new ATOM 0 HD22 ASN A 46 73.602 -8.362 8.992 1.00 0.00 H new ATOM 679 N THR A 47 71.938 -3.999 6.966 1.00 0.00 N ATOM 680 CA THR A 47 72.011 -2.739 6.225 1.00 0.00 C ATOM 681 C THR A 47 70.628 -2.098 6.121 1.00 0.00 C ATOM 682 O THR A 47 70.444 -0.923 6.443 1.00 0.00 O ATOM 683 CB THR A 47 72.568 -2.967 4.813 1.00 0.00 C ATOM 684 OG1 THR A 47 73.322 -4.170 4.789 1.00 0.00 O ATOM 685 CG2 THR A 47 73.473 -1.798 4.420 1.00 0.00 C ATOM 0 H THR A 47 72.248 -4.820 6.446 1.00 0.00 H new ATOM 0 HA THR A 47 72.680 -2.072 6.769 1.00 0.00 H new ATOM 0 HB THR A 47 71.739 -3.038 4.108 1.00 0.00 H new ATOM 0 HG1 THR A 47 72.713 -4.937 4.749 1.00 0.00 H new ATOM 0 HG21 THR A 47 73.866 -1.964 3.417 1.00 0.00 H new ATOM 0 HG22 THR A 47 72.899 -0.872 4.436 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.300 -1.724 5.126 1.00 0.00 H new ATOM 693 N VAL A 48 69.657 -2.890 5.675 1.00 0.00 N ATOM 694 CA VAL A 48 68.285 -2.401 5.533 1.00 0.00 C ATOM 695 C VAL A 48 67.747 -1.941 6.885 1.00 0.00 C ATOM 696 O VAL A 48 66.952 -1.004 6.965 1.00 0.00 O ATOM 697 CB VAL A 48 67.376 -3.499 4.968 1.00 0.00 C ATOM 698 CG1 VAL A 48 65.971 -2.938 4.722 1.00 0.00 C ATOM 699 CG2 VAL A 48 67.952 -4.003 3.643 1.00 0.00 C ATOM 0 H VAL A 48 69.790 -3.865 5.407 1.00 0.00 H new ATOM 0 HA VAL A 48 68.294 -1.558 4.842 1.00 0.00 H new ATOM 0 HB VAL A 48 67.319 -4.319 5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 48 65.331 -3.724 4.321 1.00 0.00 H new ATOM 0 HG12 VAL A 48 65.554 -2.575 5.662 1.00 0.00 H new ATOM 0 HG13 VAL A 48 66.027 -2.116 4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 48 67.307 -4.784 3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 48 68.009 -3.177 2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 48 68.950 -4.407 3.811 1.00 0.00 H new ATOM 709 N GLY A 49 68.200 -2.599 7.948 1.00 0.00 N ATOM 710 CA GLY A 49 67.765 -2.233 9.293 1.00 0.00 C ATOM 711 C GLY A 49 68.183 -0.801 9.604 1.00 0.00 C ATOM 712 O GLY A 49 67.447 -0.041 10.236 1.00 0.00 O ATOM 0 H GLY A 49 68.858 -3.377 7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 49 66.682 -2.330 9.373 1.00 0.00 H new ATOM 0 HA3 GLY A 49 68.201 -2.915 10.023 1.00 0.00 H new ATOM 716 N ARG A 50 69.373 -0.439 9.130 1.00 0.00 N ATOM 717 CA ARG A 50 69.886 0.904 9.342 1.00 0.00 C ATOM 718 C ARG A 50 69.048 1.905 8.560 1.00 0.00 C ATOM 719 O ARG A 50 68.841 3.034 8.995 1.00 0.00 O ATOM 720 CB ARG A 50 71.343 1.004 8.889 1.00 0.00 C ATOM 721 CG ARG A 50 72.003 2.214 9.554 1.00 0.00 C ATOM 722 CD ARG A 50 73.503 2.206 9.256 1.00 0.00 C ATOM 723 NE ARG A 50 74.252 2.809 10.362 1.00 0.00 N ATOM 724 CZ ARG A 50 75.520 3.222 10.222 1.00 0.00 C ATOM 725 NH1 ARG A 50 76.153 3.102 9.080 1.00 0.00 N ATOM 726 NH2 ARG A 50 76.136 3.754 11.242 1.00 0.00 N ATOM 0 H ARG A 50 69.992 -1.054 8.602 1.00 0.00 H new ATOM 0 HA ARG A 50 69.831 1.128 10.407 1.00 0.00 H new ATOM 0 HB2 ARG A 50 71.880 0.093 9.153 1.00 0.00 H new ATOM 0 HB3 ARG A 50 71.392 1.100 7.804 1.00 0.00 H new ATOM 0 HG2 ARG A 50 71.553 3.136 9.185 1.00 0.00 H new ATOM 0 HG3 ARG A 50 71.835 2.187 10.631 1.00 0.00 H new ATOM 0 HD2 ARG A 50 73.842 1.183 9.096 1.00 0.00 H new ATOM 0 HD3 ARG A 50 73.699 2.755 8.335 1.00 0.00 H new ATOM 0 HE ARG A 50 73.794 2.918 11.267 1.00 0.00 H new ATOM 0 HH11 ARG A 50 75.681 2.688 8.276 1.00 0.00 H new ATOM 0 HH12 ARG A 50 77.118 3.423 8.995 1.00 0.00 H new ATOM 0 HH21 ARG A 50 75.653 3.852 12.135 1.00 0.00 H new ATOM 0 HH22 ARG A 50 77.101 4.071 11.146 1.00 0.00 H new ATOM 740 N ILE A 51 68.562 1.473 7.398 1.00 0.00 N ATOM 741 CA ILE A 51 67.736 2.344 6.566 1.00 0.00 C ATOM 742 C ILE A 51 66.413 2.622 7.257 1.00 0.00 C ATOM 743 O ILE A 51 66.035 3.771 7.466 1.00 0.00 O ATOM 744 CB ILE A 51 67.447 1.705 5.200 1.00 0.00 C ATOM 745 CG1 ILE A 51 68.740 1.157 4.573 1.00 0.00 C ATOM 746 CG2 ILE A 51 66.841 2.757 4.270 1.00 0.00 C ATOM 747 CD1 ILE A 51 69.788 2.269 4.445 1.00 0.00 C ATOM 0 H ILE A 51 68.722 0.541 7.016 1.00 0.00 H new ATOM 0 HA ILE A 51 68.288 3.271 6.415 1.00 0.00 H new ATOM 0 HB ILE A 51 66.749 0.880 5.339 1.00 0.00 H new ATOM 0 HG12 ILE A 51 69.134 0.347 5.187 1.00 0.00 H new ATOM 0 HG13 ILE A 51 68.525 0.737 3.590 1.00 0.00 H new ATOM 0 HG21 ILE A 51 66.634 2.308 3.299 1.00 0.00 H new ATOM 0 HG22 ILE A 51 65.913 3.133 4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 51 67.543 3.581 4.146 1.00 0.00 H new ATOM 0 HD11 ILE A 51 70.696 1.863 4.000 1.00 0.00 H new ATOM 0 HD12 ILE A 51 69.398 3.066 3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 51 70.016 2.670 5.433 1.00 0.00 H new ATOM 759 N GLU A 52 65.706 1.554 7.609 1.00 0.00 N ATOM 760 CA GLU A 52 64.415 1.697 8.276 1.00 0.00 C ATOM 761 C GLU A 52 64.542 2.510 9.566 1.00 0.00 C ATOM 762 O GLU A 52 63.568 3.095 10.038 1.00 0.00 O ATOM 763 CB GLU A 52 63.824 0.325 8.607 1.00 0.00 C ATOM 764 CG GLU A 52 64.815 -0.469 9.459 1.00 0.00 C ATOM 765 CD GLU A 52 64.198 -1.810 9.841 1.00 0.00 C ATOM 766 OE1 GLU A 52 63.661 -2.464 8.962 1.00 0.00 O ATOM 767 OE2 GLU A 52 64.270 -2.164 11.005 1.00 0.00 O ATOM 0 H GLU A 52 65.999 0.591 7.447 1.00 0.00 H new ATOM 0 HA GLU A 52 63.753 2.225 7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 52 62.882 0.443 9.142 1.00 0.00 H new ATOM 0 HB3 GLU A 52 63.602 -0.218 7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 52 65.741 -0.627 8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 52 65.072 0.094 10.356 1.00 0.00 H new ATOM 774 N ARG A 53 65.746 2.543 10.136 1.00 0.00 N ATOM 775 CA ARG A 53 65.961 3.292 11.371 1.00 0.00 C ATOM 776 C ARG A 53 66.436 4.713 11.076 1.00 0.00 C ATOM 777 O ARG A 53 65.915 5.684 11.626 1.00 0.00 O ATOM 778 CB ARG A 53 67.000 2.593 12.249 1.00 0.00 C ATOM 779 CG ARG A 53 66.692 2.866 13.723 1.00 0.00 C ATOM 780 CD ARG A 53 67.587 1.992 14.603 1.00 0.00 C ATOM 781 NE ARG A 53 67.654 2.527 15.965 1.00 0.00 N ATOM 782 CZ ARG A 53 66.629 2.426 16.823 1.00 0.00 C ATOM 783 NH1 ARG A 53 65.509 1.837 16.477 1.00 0.00 N ATOM 784 NH2 ARG A 53 66.747 2.922 18.024 1.00 0.00 N ATOM 0 H ARG A 53 66.572 2.069 9.770 1.00 0.00 H new ATOM 0 HA ARG A 53 65.007 3.337 11.897 1.00 0.00 H new ATOM 0 HB2 ARG A 53 66.990 1.520 12.057 1.00 0.00 H new ATOM 0 HB3 ARG A 53 67.999 2.952 12.003 1.00 0.00 H new ATOM 0 HG2 ARG A 53 66.857 3.919 13.951 1.00 0.00 H new ATOM 0 HG3 ARG A 53 65.643 2.656 13.931 1.00 0.00 H new ATOM 0 HD2 ARG A 53 67.200 0.973 14.626 1.00 0.00 H new ATOM 0 HD3 ARG A 53 68.589 1.943 14.176 1.00 0.00 H new ATOM 0 HE ARG A 53 68.509 2.992 16.271 1.00 0.00 H new ATOM 0 HH11 ARG A 53 65.407 1.446 15.541 1.00 0.00 H new ATOM 0 HH12 ARG A 53 64.741 1.770 17.144 1.00 0.00 H new ATOM 0 HH21 ARG A 53 67.614 3.382 18.303 1.00 0.00 H new ATOM 0 HH22 ARG A 53 65.973 2.850 18.684 1.00 0.00 H new ATOM 798 N ASP A 54 67.436 4.823 10.210 1.00 0.00 N ATOM 799 CA ASP A 54 67.987 6.126 9.851 1.00 0.00 C ATOM 800 C ASP A 54 66.997 6.931 9.017 1.00 0.00 C ATOM 801 O ASP A 54 66.912 8.154 9.138 1.00 0.00 O ATOM 802 CB ASP A 54 69.276 5.955 9.049 1.00 0.00 C ATOM 803 CG ASP A 54 70.434 5.664 9.997 1.00 0.00 C ATOM 804 OD1 ASP A 54 70.259 4.838 10.878 1.00 0.00 O ATOM 805 OD2 ASP A 54 71.479 6.271 9.829 1.00 0.00 O ATOM 0 H ASP A 54 67.881 4.031 9.745 1.00 0.00 H new ATOM 0 HA ASP A 54 68.193 6.661 10.778 1.00 0.00 H new ATOM 0 HB2 ASP A 54 69.165 5.140 8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 54 69.481 6.858 8.475 1.00 0.00 H new ATOM 810 N TYR A 55 66.249 6.236 8.168 1.00 0.00 N ATOM 811 CA TYR A 55 65.269 6.899 7.316 1.00 0.00 C ATOM 812 C TYR A 55 63.890 6.877 7.970 1.00 0.00 C ATOM 813 O TYR A 55 63.057 7.747 7.719 1.00 0.00 O ATOM 814 CB TYR A 55 65.188 6.213 5.947 1.00 0.00 C ATOM 815 CG TYR A 55 66.500 6.380 5.214 1.00 0.00 C ATOM 816 CD1 TYR A 55 67.659 5.759 5.696 1.00 0.00 C ATOM 817 CD2 TYR A 55 66.557 7.155 4.048 1.00 0.00 C ATOM 818 CE1 TYR A 55 68.873 5.913 5.016 1.00 0.00 C ATOM 819 CE2 TYR A 55 67.773 7.309 3.367 1.00 0.00 C ATOM 820 CZ TYR A 55 68.929 6.688 3.851 1.00 0.00 C ATOM 821 OH TYR A 55 70.126 6.839 3.181 1.00 0.00 O ATOM 0 H TYR A 55 66.301 5.224 8.051 1.00 0.00 H new ATOM 0 HA TYR A 55 65.589 7.932 7.181 1.00 0.00 H new ATOM 0 HB2 TYR A 55 64.963 5.154 6.073 1.00 0.00 H new ATOM 0 HB3 TYR A 55 64.376 6.644 5.361 1.00 0.00 H new ATOM 0 HD1 TYR A 55 67.616 5.160 6.594 1.00 0.00 H new ATOM 0 HD2 TYR A 55 65.664 7.634 3.674 1.00 0.00 H new ATOM 0 HE1 TYR A 55 69.766 5.434 5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 55 67.817 7.907 2.469 1.00 0.00 H new ATOM 0 HH TYR A 55 69.991 7.406 2.393 1.00 0.00 H new ATOM 831 N GLY A 56 63.654 5.873 8.816 1.00 0.00 N ATOM 832 CA GLY A 56 62.368 5.759 9.496 1.00 0.00 C ATOM 833 C GLY A 56 61.272 5.388 8.506 1.00 0.00 C ATOM 834 O GLY A 56 60.153 5.897 8.574 1.00 0.00 O ATOM 0 H GLY A 56 64.326 5.140 9.043 1.00 0.00 H new ATOM 0 HA2 GLY A 56 62.430 5.003 10.279 1.00 0.00 H new ATOM 0 HA3 GLY A 56 62.122 6.703 9.983 1.00 0.00 H new ATOM 838 N VAL A 57 61.610 4.497 7.579 1.00 0.00 N ATOM 839 CA VAL A 57 60.649 4.065 6.568 1.00 0.00 C ATOM 840 C VAL A 57 60.292 2.596 6.760 1.00 0.00 C ATOM 841 O VAL A 57 61.000 1.853 7.440 1.00 0.00 O ATOM 842 CB VAL A 57 61.229 4.261 5.167 1.00 0.00 C ATOM 843 CG1 VAL A 57 61.449 5.753 4.914 1.00 0.00 C ATOM 844 CG2 VAL A 57 62.568 3.526 5.058 1.00 0.00 C ATOM 0 H VAL A 57 62.531 4.064 7.506 1.00 0.00 H new ATOM 0 HA VAL A 57 59.749 4.670 6.678 1.00 0.00 H new ATOM 0 HB VAL A 57 60.534 3.861 4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 57 61.863 5.896 3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 57 60.498 6.279 4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 57 62.144 6.149 5.655 1.00 0.00 H new ATOM 0 HG21 VAL A 57 62.980 3.667 4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 57 63.263 3.925 5.797 1.00 0.00 H new ATOM 0 HG23 VAL A 57 62.415 2.462 5.241 1.00 0.00 H new ATOM 854 N GLN A 58 59.179 2.183 6.151 1.00 0.00 N ATOM 855 CA GLN A 58 58.734 0.795 6.262 1.00 0.00 C ATOM 856 C GLN A 58 57.444 0.577 5.479 1.00 0.00 C ATOM 857 O GLN A 58 56.344 0.699 6.021 1.00 0.00 O ATOM 858 CB GLN A 58 58.491 0.421 7.726 1.00 0.00 C ATOM 859 CG GLN A 58 58.797 -1.064 7.932 1.00 0.00 C ATOM 860 CD GLN A 58 58.206 -1.527 9.260 1.00 0.00 C ATOM 861 OE1 GLN A 58 57.060 -1.212 9.580 1.00 0.00 O ATOM 862 NE2 GLN A 58 58.928 -2.262 10.060 1.00 0.00 N ATOM 0 H GLN A 58 58.578 2.781 5.584 1.00 0.00 H new ATOM 0 HA GLN A 58 59.521 0.163 5.850 1.00 0.00 H new ATOM 0 HB2 GLN A 58 59.122 1.027 8.376 1.00 0.00 H new ATOM 0 HB3 GLN A 58 57.457 0.631 7.999 1.00 0.00 H new ATOM 0 HG2 GLN A 58 58.380 -1.649 7.113 1.00 0.00 H new ATOM 0 HG3 GLN A 58 59.874 -1.228 7.924 1.00 0.00 H new ATOM 0 HE21 GLN A 58 59.878 -2.523 9.795 1.00 0.00 H new ATOM 0 HE22 GLN A 58 58.543 -2.576 10.951 1.00 0.00 H new ATOM 871 N LEU A 59 57.587 0.246 4.199 1.00 0.00 N ATOM 872 CA LEU A 59 56.422 0.003 3.351 1.00 0.00 C ATOM 873 C LEU A 59 55.866 -1.395 3.604 1.00 0.00 C ATOM 874 O LEU A 59 54.661 -1.625 3.515 1.00 0.00 O ATOM 875 CB LEU A 59 56.797 0.116 1.874 1.00 0.00 C ATOM 876 CG LEU A 59 57.679 1.315 1.517 1.00 0.00 C ATOM 877 CD1 LEU A 59 58.569 0.959 0.322 1.00 0.00 C ATOM 878 CD2 LEU A 59 56.792 2.513 1.159 1.00 0.00 C ATOM 0 H LEU A 59 58.486 0.141 3.729 1.00 0.00 H new ATOM 0 HA LEU A 59 55.670 0.753 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 59 57.313 -0.796 1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.881 0.171 1.286 1.00 0.00 H new ATOM 0 HG LEU A 59 58.307 1.571 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 59 59.197 1.813 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 59 59.200 0.108 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 59 57.944 0.701 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 59 57.420 3.367 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 59 56.163 2.258 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.162 2.767 2.011 1.00 0.00 H new ATOM 890 N GLY A 60 56.763 -2.324 3.918 1.00 0.00 N ATOM 891 CA GLY A 60 56.359 -3.700 4.182 1.00 0.00 C ATOM 892 C GLY A 60 57.565 -4.550 4.566 1.00 0.00 C ATOM 893 O GLY A 60 58.612 -4.499 3.921 1.00 0.00 O ATOM 0 H GLY A 60 57.765 -2.152 3.995 1.00 0.00 H new ATOM 0 HA2 GLY A 60 55.622 -3.721 4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 60 55.878 -4.119 3.298 1.00 0.00 H new ATOM 897 N ASP A 61 57.403 -5.333 5.630 1.00 0.00 N ATOM 898 CA ASP A 61 58.481 -6.200 6.110 1.00 0.00 C ATOM 899 C ASP A 61 58.978 -7.127 5.000 1.00 0.00 C ATOM 900 O ASP A 61 60.130 -7.565 5.008 1.00 0.00 O ATOM 901 CB ASP A 61 57.995 -7.052 7.285 1.00 0.00 C ATOM 902 CG ASP A 61 57.908 -6.189 8.539 1.00 0.00 C ATOM 903 OD1 ASP A 61 58.932 -5.998 9.174 1.00 0.00 O ATOM 904 OD2 ASP A 61 56.820 -5.731 8.845 1.00 0.00 O ATOM 0 H ASP A 61 56.542 -5.387 6.175 1.00 0.00 H new ATOM 0 HA ASP A 61 59.301 -5.558 6.432 1.00 0.00 H new ATOM 0 HB2 ASP A 61 57.019 -7.481 7.058 1.00 0.00 H new ATOM 0 HB3 ASP A 61 58.678 -7.885 7.451 1.00 0.00 H new ATOM 909 N ASP A 62 58.103 -7.419 4.040 1.00 0.00 N ATOM 910 CA ASP A 62 58.473 -8.294 2.932 1.00 0.00 C ATOM 911 C ASP A 62 59.301 -7.555 1.878 1.00 0.00 C ATOM 912 O ASP A 62 59.719 -8.148 0.883 1.00 0.00 O ATOM 913 CB ASP A 62 57.227 -8.875 2.264 1.00 0.00 C ATOM 914 CG ASP A 62 56.288 -7.743 1.860 1.00 0.00 C ATOM 915 OD1 ASP A 62 56.619 -7.030 0.926 1.00 0.00 O ATOM 916 OD2 ASP A 62 55.253 -7.605 2.490 1.00 0.00 O ATOM 0 H ASP A 62 57.146 -7.068 4.007 1.00 0.00 H new ATOM 0 HA ASP A 62 59.077 -9.098 3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 62 57.510 -9.457 1.387 1.00 0.00 H new ATOM 0 HB3 ASP A 62 56.719 -9.556 2.948 1.00 0.00 H new ATOM 921 N ALA A 63 59.563 -6.261 2.103 1.00 0.00 N ATOM 922 CA ALA A 63 60.366 -5.483 1.164 1.00 0.00 C ATOM 923 C ALA A 63 61.731 -6.134 0.987 1.00 0.00 C ATOM 924 O ALA A 63 62.323 -6.100 -0.093 1.00 0.00 O ATOM 925 CB ALA A 63 60.562 -4.061 1.687 1.00 0.00 C ATOM 0 H ALA A 63 59.234 -5.741 2.916 1.00 0.00 H new ATOM 0 HA ALA A 63 59.844 -5.450 0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 63 61.162 -3.492 0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 63 59.591 -3.581 1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 63 61.073 -4.094 2.649 1.00 0.00 H new ATOM 931 N VAL A 64 62.215 -6.740 2.067 1.00 0.00 N ATOM 932 CA VAL A 64 63.506 -7.417 2.034 1.00 0.00 C ATOM 933 C VAL A 64 63.436 -8.641 1.123 1.00 0.00 C ATOM 934 O VAL A 64 64.432 -9.042 0.521 1.00 0.00 O ATOM 935 CB VAL A 64 63.921 -7.858 3.442 1.00 0.00 C ATOM 936 CG1 VAL A 64 64.096 -6.623 4.329 1.00 0.00 C ATOM 937 CG2 VAL A 64 62.842 -8.769 4.042 1.00 0.00 C ATOM 0 H VAL A 64 61.738 -6.776 2.968 1.00 0.00 H new ATOM 0 HA VAL A 64 64.246 -6.717 1.647 1.00 0.00 H new ATOM 0 HB VAL A 64 64.862 -8.406 3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 64 64.391 -6.934 5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 64 64.867 -5.978 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 64 63.155 -6.076 4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 64 63.143 -9.079 5.043 1.00 0.00 H new ATOM 0 HG22 VAL A 64 61.898 -8.227 4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 64 62.717 -9.649 3.412 1.00 0.00 H new ATOM 947 N GLU A 65 62.244 -9.230 1.028 1.00 0.00 N ATOM 948 CA GLU A 65 62.053 -10.407 0.187 1.00 0.00 C ATOM 949 C GLU A 65 62.177 -10.034 -1.287 1.00 0.00 C ATOM 950 O GLU A 65 62.993 -10.596 -2.018 1.00 0.00 O ATOM 951 CB GLU A 65 60.674 -11.023 0.432 1.00 0.00 C ATOM 952 CG GLU A 65 60.596 -12.388 -0.254 1.00 0.00 C ATOM 953 CD GLU A 65 60.063 -12.216 -1.672 1.00 0.00 C ATOM 954 OE1 GLU A 65 58.986 -11.658 -1.816 1.00 0.00 O ATOM 955 OE2 GLU A 65 60.738 -12.643 -2.593 1.00 0.00 O ATOM 0 H GLU A 65 61.406 -8.915 1.517 1.00 0.00 H new ATOM 0 HA GLU A 65 62.824 -11.133 0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 65 60.497 -11.131 1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 65 59.896 -10.365 0.045 1.00 0.00 H new ATOM 0 HG2 GLU A 65 61.582 -12.851 -0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 65 59.945 -13.054 0.312 1.00 0.00 H new ATOM 962 N LYS A 66 61.355 -9.079 -1.714 1.00 0.00 N ATOM 963 CA LYS A 66 61.376 -8.634 -3.103 1.00 0.00 C ATOM 964 C LYS A 66 62.738 -8.046 -3.455 1.00 0.00 C ATOM 965 O LYS A 66 63.223 -8.190 -4.578 1.00 0.00 O ATOM 966 CB LYS A 66 60.300 -7.573 -3.342 1.00 0.00 C ATOM 967 CG LYS A 66 58.920 -8.166 -3.046 1.00 0.00 C ATOM 968 CD LYS A 66 58.299 -8.690 -4.343 1.00 0.00 C ATOM 969 CE LYS A 66 57.431 -7.598 -4.971 1.00 0.00 C ATOM 970 NZ LYS A 66 57.354 -7.810 -6.444 1.00 0.00 N ATOM 0 H LYS A 66 60.673 -8.603 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 66 61.180 -9.500 -3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 66 60.480 -6.708 -2.704 1.00 0.00 H new ATOM 0 HB3 LYS A 66 60.343 -7.223 -4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 66 59.008 -8.975 -2.320 1.00 0.00 H new ATOM 0 HG3 LYS A 66 58.275 -7.408 -2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 66 59.083 -8.991 -5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 66 57.697 -9.575 -4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 66 56.431 -7.619 -4.537 1.00 0.00 H new ATOM 0 HE3 LYS A 66 57.851 -6.616 -4.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 56.764 -7.068 -6.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 58.310 -7.769 -6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 56.934 -8.741 -6.639 1.00 0.00 H new ATOM 984 N ALA A 67 63.351 -7.381 -2.481 1.00 0.00 N ATOM 985 CA ALA A 67 64.661 -6.771 -2.691 1.00 0.00 C ATOM 986 C ALA A 67 65.699 -7.833 -3.042 1.00 0.00 C ATOM 987 O ALA A 67 66.253 -8.497 -2.165 1.00 0.00 O ATOM 988 CB ALA A 67 65.117 -6.032 -1.435 1.00 0.00 C ATOM 0 H ALA A 67 62.966 -7.251 -1.545 1.00 0.00 H new ATOM 0 HA ALA A 67 64.569 -6.065 -3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 67 66.095 -5.584 -1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 67 64.398 -5.249 -1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 67 65.184 -6.734 -0.604 1.00 0.00 H new ATOM 994 N THR A 68 65.963 -7.973 -4.336 1.00 0.00 N ATOM 995 CA THR A 68 66.949 -8.944 -4.810 1.00 0.00 C ATOM 996 C THR A 68 68.220 -8.226 -5.268 1.00 0.00 C ATOM 997 O THR A 68 69.313 -8.790 -5.247 1.00 0.00 O ATOM 998 CB THR A 68 66.384 -9.763 -5.974 1.00 0.00 C ATOM 999 OG1 THR A 68 67.386 -10.645 -6.460 1.00 0.00 O ATOM 1000 CG2 THR A 68 65.940 -8.825 -7.098 1.00 0.00 C ATOM 0 H THR A 68 65.513 -7.431 -5.074 1.00 0.00 H new ATOM 0 HA THR A 68 67.187 -9.615 -3.985 1.00 0.00 H new ATOM 0 HB THR A 68 65.526 -10.340 -5.628 1.00 0.00 H new ATOM 0 HG1 THR A 68 67.026 -11.171 -7.204 1.00 0.00 H new ATOM 0 HG21 THR A 68 65.539 -9.412 -7.924 1.00 0.00 H new ATOM 0 HG22 THR A 68 65.170 -8.149 -6.725 1.00 0.00 H new ATOM 0 HG23 THR A 68 66.794 -8.245 -7.446 1.00 0.00 H new ATOM 1008 N THR A 69 68.058 -6.968 -5.680 1.00 0.00 N ATOM 1009 CA THR A 69 69.187 -6.165 -6.137 1.00 0.00 C ATOM 1010 C THR A 69 69.367 -4.966 -5.204 1.00 0.00 C ATOM 1011 O THR A 69 68.489 -4.675 -4.391 1.00 0.00 O ATOM 1012 CB THR A 69 68.939 -5.641 -7.566 1.00 0.00 C ATOM 1013 OG1 THR A 69 67.564 -5.784 -7.897 1.00 0.00 O ATOM 1014 CG2 THR A 69 69.783 -6.425 -8.567 1.00 0.00 C ATOM 0 H THR A 69 67.159 -6.487 -5.706 1.00 0.00 H new ATOM 0 HA THR A 69 70.079 -6.791 -6.133 1.00 0.00 H new ATOM 0 HB THR A 69 69.219 -4.588 -7.608 1.00 0.00 H new ATOM 0 HG1 THR A 69 67.409 -5.449 -8.805 1.00 0.00 H new ATOM 0 HG21 THR A 69 69.600 -6.046 -9.573 1.00 0.00 H new ATOM 0 HG22 THR A 69 70.839 -6.309 -8.322 1.00 0.00 H new ATOM 0 HG23 THR A 69 69.514 -7.480 -8.522 1.00 0.00 H new ATOM 1022 N PRO A 70 70.480 -4.230 -5.323 1.00 0.00 N ATOM 1023 CA PRO A 70 70.701 -3.045 -4.480 1.00 0.00 C ATOM 1024 C PRO A 70 69.743 -1.931 -4.864 1.00 0.00 C ATOM 1025 O PRO A 70 69.230 -1.206 -4.013 1.00 0.00 O ATOM 1026 CB PRO A 70 72.152 -2.684 -4.781 1.00 0.00 C ATOM 1027 CG PRO A 70 72.478 -3.291 -6.136 1.00 0.00 C ATOM 1028 CD PRO A 70 71.565 -4.508 -6.295 1.00 0.00 C ATOM 0 HA PRO A 70 70.524 -3.216 -3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 70 72.287 -1.602 -4.798 1.00 0.00 H new ATOM 0 HB3 PRO A 70 72.817 -3.076 -4.011 1.00 0.00 H new ATOM 0 HG2 PRO A 70 72.307 -2.570 -6.936 1.00 0.00 H new ATOM 0 HG3 PRO A 70 73.527 -3.583 -6.189 1.00 0.00 H new ATOM 0 HD2 PRO A 70 71.184 -4.598 -7.312 1.00 0.00 H new ATOM 0 HD3 PRO A 70 72.086 -5.438 -6.066 1.00 0.00 H new ATOM 1036 N ARG A 71 69.476 -1.834 -6.163 1.00 0.00 N ATOM 1037 CA ARG A 71 68.540 -0.836 -6.663 1.00 0.00 C ATOM 1038 C ARG A 71 67.147 -1.083 -6.077 1.00 0.00 C ATOM 1039 O ARG A 71 66.337 -0.163 -5.966 1.00 0.00 O ATOM 1040 CB ARG A 71 68.453 -0.899 -8.188 1.00 0.00 C ATOM 1041 CG ARG A 71 69.796 -0.493 -8.794 1.00 0.00 C ATOM 1042 CD ARG A 71 69.772 0.995 -9.141 1.00 0.00 C ATOM 1043 NE ARG A 71 70.778 1.297 -10.158 1.00 0.00 N ATOM 1044 CZ ARG A 71 70.744 2.423 -10.885 1.00 0.00 C ATOM 1045 NH1 ARG A 71 69.797 3.315 -10.713 1.00 0.00 N ATOM 1046 NH2 ARG A 71 71.669 2.636 -11.780 1.00 0.00 N ATOM 0 H ARG A 71 69.890 -2.428 -6.881 1.00 0.00 H new ATOM 0 HA ARG A 71 68.899 0.148 -6.362 1.00 0.00 H new ATOM 0 HB2 ARG A 71 68.189 -1.908 -8.506 1.00 0.00 H new ATOM 0 HB3 ARG A 71 67.666 -0.235 -8.545 1.00 0.00 H new ATOM 0 HG2 ARG A 71 70.602 -0.700 -8.090 1.00 0.00 H new ATOM 0 HG3 ARG A 71 69.996 -1.082 -9.689 1.00 0.00 H new ATOM 0 HD2 ARG A 71 68.783 1.274 -9.504 1.00 0.00 H new ATOM 0 HD3 ARG A 71 69.962 1.587 -8.246 1.00 0.00 H new ATOM 0 HE ARG A 71 71.531 0.628 -10.320 1.00 0.00 H new ATOM 0 HH11 ARG A 71 69.069 3.158 -10.016 1.00 0.00 H new ATOM 0 HH12 ARG A 71 69.789 4.165 -11.276 1.00 0.00 H new ATOM 0 HH21 ARG A 71 72.409 1.949 -11.922 1.00 0.00 H new ATOM 0 HH22 ARG A 71 71.652 3.490 -12.338 1.00 0.00 H new ATOM 1060 N ALA A 72 66.878 -2.338 -5.699 1.00 0.00 N ATOM 1061 CA ALA A 72 65.584 -2.689 -5.121 1.00 0.00 C ATOM 1062 C ALA A 72 65.406 -1.975 -3.791 1.00 0.00 C ATOM 1063 O ALA A 72 64.461 -1.211 -3.599 1.00 0.00 O ATOM 1064 CB ALA A 72 65.485 -4.199 -4.898 1.00 0.00 C ATOM 0 H ALA A 72 67.532 -3.116 -5.783 1.00 0.00 H new ATOM 0 HA ALA A 72 64.802 -2.381 -5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 72 64.513 -4.440 -4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 72 65.597 -4.716 -5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 72 66.274 -4.519 -4.217 1.00 0.00 H new ATOM 1070 N LEU A 73 66.342 -2.222 -2.877 1.00 0.00 N ATOM 1071 CA LEU A 73 66.302 -1.586 -1.556 1.00 0.00 C ATOM 1072 C LEU A 73 66.226 -0.072 -1.702 1.00 0.00 C ATOM 1073 O LEU A 73 65.394 0.588 -1.081 1.00 0.00 O ATOM 1074 CB LEU A 73 67.558 -1.922 -0.756 1.00 0.00 C ATOM 1075 CG LEU A 73 67.806 -3.411 -0.539 1.00 0.00 C ATOM 1076 CD1 LEU A 73 69.080 -3.608 0.296 1.00 0.00 C ATOM 1077 CD2 LEU A 73 66.606 -4.016 0.193 1.00 0.00 C ATOM 0 H LEU A 73 67.132 -2.851 -3.022 1.00 0.00 H new ATOM 0 HA LEU A 73 65.421 -1.961 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 73 68.421 -1.496 -1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 73 67.492 -1.435 0.217 1.00 0.00 H new ATOM 0 HG LEU A 73 67.934 -3.906 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.254 -4.673 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 73 69.930 -3.173 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 73 68.961 -3.117 1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.776 -5.081 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.480 -3.521 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.706 -3.878 -0.407 1.00 0.00 H new ATOM 1089 N ILE A 74 67.102 0.464 -2.545 1.00 0.00 N ATOM 1090 CA ILE A 74 67.126 1.904 -2.784 1.00 0.00 C ATOM 1091 C ILE A 74 65.786 2.352 -3.367 1.00 0.00 C ATOM 1092 O ILE A 74 65.259 3.402 -3.010 1.00 0.00 O ATOM 1093 CB ILE A 74 68.257 2.280 -3.755 1.00 0.00 C ATOM 1094 CG1 ILE A 74 69.600 1.805 -3.183 1.00 0.00 C ATOM 1095 CG2 ILE A 74 68.298 3.802 -3.942 1.00 0.00 C ATOM 1096 CD1 ILE A 74 70.720 2.072 -4.197 1.00 0.00 C ATOM 0 H ILE A 74 67.797 -0.068 -3.069 1.00 0.00 H new ATOM 0 HA ILE A 74 67.302 2.406 -1.833 1.00 0.00 H new ATOM 0 HB ILE A 74 68.076 1.802 -4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 74 69.812 2.324 -2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 74 69.552 0.741 -2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 74 69.101 4.062 -4.631 1.00 0.00 H new ATOM 0 HG22 ILE A 74 67.346 4.144 -4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 74 68.475 4.282 -2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 74 71.671 1.733 -3.786 1.00 0.00 H new ATOM 0 HD12 ILE A 74 70.511 1.532 -5.121 1.00 0.00 H new ATOM 0 HD13 ILE A 74 70.775 3.140 -4.405 1.00 0.00 H new ATOM 1108 N GLU A 75 65.239 1.538 -4.264 1.00 0.00 N ATOM 1109 CA GLU A 75 63.961 1.866 -4.884 1.00 0.00 C ATOM 1110 C GLU A 75 62.837 1.804 -3.858 1.00 0.00 C ATOM 1111 O GLU A 75 62.001 2.703 -3.776 1.00 0.00 O ATOM 1112 CB GLU A 75 63.652 0.897 -6.027 1.00 0.00 C ATOM 1113 CG GLU A 75 64.221 1.451 -7.334 1.00 0.00 C ATOM 1114 CD GLU A 75 63.333 1.024 -8.498 1.00 0.00 C ATOM 1115 OE1 GLU A 75 62.197 1.469 -8.544 1.00 0.00 O ATOM 1116 OE2 GLU A 75 63.802 0.262 -9.326 1.00 0.00 O ATOM 0 H GLU A 75 65.653 0.659 -4.574 1.00 0.00 H new ATOM 0 HA GLU A 75 64.032 2.879 -5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 75 64.084 -0.081 -5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 75 62.575 0.757 -6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 75 64.278 2.538 -7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 75 65.237 1.085 -7.485 1.00 0.00 H new ATOM 1123 N MET A 76 62.828 0.733 -3.074 1.00 0.00 N ATOM 1124 CA MET A 76 61.806 0.560 -2.051 1.00 0.00 C ATOM 1125 C MET A 76 61.911 1.671 -1.014 1.00 0.00 C ATOM 1126 O MET A 76 60.906 2.147 -0.486 1.00 0.00 O ATOM 1127 CB MET A 76 61.969 -0.795 -1.363 1.00 0.00 C ATOM 1128 CG MET A 76 61.339 -1.884 -2.232 1.00 0.00 C ATOM 1129 SD MET A 76 61.347 -3.456 -1.334 1.00 0.00 S ATOM 1130 CE MET A 76 60.082 -4.288 -2.327 1.00 0.00 C ATOM 0 H MET A 76 63.511 -0.023 -3.126 1.00 0.00 H new ATOM 0 HA MET A 76 60.827 0.603 -2.529 1.00 0.00 H new ATOM 0 HB2 MET A 76 63.026 -1.009 -1.202 1.00 0.00 H new ATOM 0 HB3 MET A 76 61.494 -0.777 -0.382 1.00 0.00 H new ATOM 0 HG2 MET A 76 60.318 -1.609 -2.495 1.00 0.00 H new ATOM 0 HG3 MET A 76 61.892 -1.984 -3.166 1.00 0.00 H new ATOM 0 HE1 MET A 76 59.730 -5.174 -1.799 1.00 0.00 H new ATOM 0 HE2 MET A 76 59.246 -3.609 -2.494 1.00 0.00 H new ATOM 0 HE3 MET A 76 60.508 -4.582 -3.286 1.00 0.00 H new ATOM 1140 N THR A 77 63.143 2.086 -0.732 1.00 0.00 N ATOM 1141 CA THR A 77 63.370 3.149 0.239 1.00 0.00 C ATOM 1142 C THR A 77 62.883 4.482 -0.318 1.00 0.00 C ATOM 1143 O THR A 77 62.092 5.180 0.312 1.00 0.00 O ATOM 1144 CB THR A 77 64.859 3.260 0.580 1.00 0.00 C ATOM 1145 OG1 THR A 77 65.349 1.986 0.972 1.00 0.00 O ATOM 1146 CG2 THR A 77 65.054 4.255 1.725 1.00 0.00 C ATOM 0 H THR A 77 63.989 1.707 -1.157 1.00 0.00 H new ATOM 0 HA THR A 77 62.814 2.906 1.144 1.00 0.00 H new ATOM 0 HB THR A 77 65.405 3.609 -0.297 1.00 0.00 H new ATOM 0 HG1 THR A 77 65.826 1.574 0.222 1.00 0.00 H new ATOM 0 HG21 THR A 77 66.115 4.331 1.964 1.00 0.00 H new ATOM 0 HG22 THR A 77 64.679 5.233 1.425 1.00 0.00 H new ATOM 0 HG23 THR A 77 64.508 3.911 2.603 1.00 0.00 H new ATOM 1154 N ASN A 78 63.354 4.823 -1.518 1.00 0.00 N ATOM 1155 CA ASN A 78 62.953 6.079 -2.159 1.00 0.00 C ATOM 1156 C ASN A 78 61.437 6.139 -2.302 1.00 0.00 C ATOM 1157 O ASN A 78 60.826 7.200 -2.192 1.00 0.00 O ATOM 1158 CB ASN A 78 63.585 6.197 -3.545 1.00 0.00 C ATOM 1159 CG ASN A 78 65.025 6.679 -3.409 1.00 0.00 C ATOM 1160 OD1 ASN A 78 65.342 7.819 -3.740 1.00 0.00 O ATOM 1161 ND2 ASN A 78 65.924 5.870 -2.933 1.00 0.00 N ATOM 0 H ASN A 78 64.005 4.256 -2.061 1.00 0.00 H new ATOM 0 HA ASN A 78 63.295 6.902 -1.532 1.00 0.00 H new ATOM 0 HB2 ASN A 78 63.560 5.232 -4.051 1.00 0.00 H new ATOM 0 HB3 ASN A 78 63.014 6.894 -4.159 1.00 0.00 H new ATOM 0 HD21 ASN A 78 66.890 6.182 -2.835 1.00 0.00 H new ATOM 0 HD22 ASN A 78 65.663 4.923 -2.657 1.00 0.00 H new ATOM 1168 N ALA A 79 60.847 4.974 -2.534 1.00 0.00 N ATOM 1169 CA ALA A 79 59.403 4.866 -2.680 1.00 0.00 C ATOM 1170 C ALA A 79 58.724 5.181 -1.354 1.00 0.00 C ATOM 1171 O ALA A 79 57.628 5.740 -1.314 1.00 0.00 O ATOM 1172 CB ALA A 79 59.020 3.449 -3.103 1.00 0.00 C ATOM 0 H ALA A 79 61.347 4.090 -2.625 1.00 0.00 H new ATOM 0 HA ALA A 79 59.079 5.575 -3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 79 57.937 3.381 -3.209 1.00 0.00 H new ATOM 0 HB2 ALA A 79 59.493 3.213 -4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 79 59.356 2.740 -2.346 1.00 0.00 H new ATOM 1178 N SER A 80 59.396 4.810 -0.271 1.00 0.00 N ATOM 1179 CA SER A 80 58.867 5.048 1.060 1.00 0.00 C ATOM 1180 C SER A 80 58.996 6.523 1.425 1.00 0.00 C ATOM 1181 O SER A 80 58.070 7.124 1.968 1.00 0.00 O ATOM 1182 CB SER A 80 59.609 4.184 2.083 1.00 0.00 C ATOM 1183 OG SER A 80 60.843 4.798 2.423 1.00 0.00 O ATOM 0 H SER A 80 60.304 4.345 -0.291 1.00 0.00 H new ATOM 0 HA SER A 80 57.811 4.778 1.070 1.00 0.00 H new ATOM 0 HB2 SER A 80 58.998 4.055 2.976 1.00 0.00 H new ATOM 0 HB3 SER A 80 59.787 3.190 1.673 1.00 0.00 H new ATOM 0 HG SER A 80 61.519 4.568 1.751 1.00 0.00 H new ATOM 1189 N LEU A 81 60.152 7.104 1.114 1.00 0.00 N ATOM 1190 CA LEU A 81 60.377 8.513 1.411 1.00 0.00 C ATOM 1191 C LEU A 81 59.470 9.387 0.551 1.00 0.00 C ATOM 1192 O LEU A 81 58.811 10.300 1.050 1.00 0.00 O ATOM 1193 CB LEU A 81 61.838 8.906 1.151 1.00 0.00 C ATOM 1194 CG LEU A 81 62.870 8.458 2.203 1.00 0.00 C ATOM 1195 CD1 LEU A 81 62.306 8.612 3.619 1.00 0.00 C ATOM 1196 CD2 LEU A 81 63.245 6.996 1.967 1.00 0.00 C ATOM 0 H LEU A 81 60.935 6.629 0.664 1.00 0.00 H new ATOM 0 HA LEU A 81 60.149 8.668 2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 81 62.135 8.495 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 81 61.889 9.991 1.065 1.00 0.00 H new ATOM 0 HG LEU A 81 63.754 9.089 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 81 63.052 8.290 4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 81 62.053 9.657 3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 81 61.411 7.999 3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 81 63.975 6.683 2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 81 62.354 6.374 2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 81 63.674 6.887 0.971 1.00 0.00 H new ATOM 1208 N THR A 82 59.441 9.101 -0.749 1.00 0.00 N ATOM 1209 CA THR A 82 58.604 9.879 -1.662 1.00 0.00 C ATOM 1210 C THR A 82 57.127 9.709 -1.310 1.00 0.00 C ATOM 1211 O THR A 82 56.317 10.614 -1.514 1.00 0.00 O ATOM 1212 CB THR A 82 58.836 9.450 -3.118 1.00 0.00 C ATOM 1213 OG1 THR A 82 58.042 10.255 -3.977 1.00 0.00 O ATOM 1214 CG2 THR A 82 58.456 7.977 -3.304 1.00 0.00 C ATOM 0 H THR A 82 59.976 8.352 -1.188 1.00 0.00 H new ATOM 0 HA THR A 82 58.881 10.928 -1.556 1.00 0.00 H new ATOM 0 HB THR A 82 59.891 9.576 -3.362 1.00 0.00 H new ATOM 0 HG1 THR A 82 58.189 9.984 -4.907 1.00 0.00 H new ATOM 0 HG21 THR A 82 58.625 7.686 -4.341 1.00 0.00 H new ATOM 0 HG22 THR A 82 59.068 7.358 -2.648 1.00 0.00 H new ATOM 0 HG23 THR A 82 57.404 7.838 -3.055 1.00 0.00 H new ATOM 1222 N GLY A 83 56.785 8.536 -0.777 1.00 0.00 N ATOM 1223 CA GLY A 83 55.402 8.250 -0.398 1.00 0.00 C ATOM 1224 C GLY A 83 54.874 9.285 0.595 1.00 0.00 C ATOM 1225 O GLY A 83 53.674 9.555 0.651 1.00 0.00 O ATOM 0 H GLY A 83 57.440 7.775 -0.599 1.00 0.00 H new ATOM 0 HA2 GLY A 83 54.773 8.242 -1.288 1.00 0.00 H new ATOM 0 HA3 GLY A 83 55.342 7.255 0.043 1.00 0.00 H new ATOM 1229 N ALA A 84 55.784 9.863 1.375 1.00 0.00 N ATOM 1230 CA ALA A 84 55.401 10.866 2.358 1.00 0.00 C ATOM 1231 C ALA A 84 56.438 11.988 2.406 1.00 0.00 C ATOM 1232 O ALA A 84 57.108 12.200 3.418 1.00 0.00 O ATOM 1233 CB ALA A 84 55.265 10.232 3.746 1.00 0.00 C ATOM 0 H ALA A 84 56.782 9.655 1.345 1.00 0.00 H new ATOM 0 HA ALA A 84 54.438 11.282 2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 84 54.978 10.996 4.469 1.00 0.00 H new ATOM 0 HB2 ALA A 84 54.502 9.455 3.718 1.00 0.00 H new ATOM 0 HB3 ALA A 84 56.218 9.794 4.041 1.00 0.00 H new ATOM 1239 N SER A 85 56.562 12.704 1.292 1.00 0.00 N ATOM 1240 CA SER A 85 57.517 13.805 1.206 1.00 0.00 C ATOM 1241 C SER A 85 57.073 14.971 2.104 1.00 0.00 C ATOM 1242 O SER A 85 56.045 15.593 1.841 1.00 0.00 O ATOM 1243 CB SER A 85 57.619 14.306 -0.234 1.00 0.00 C ATOM 1244 OG SER A 85 58.800 15.084 -0.380 1.00 0.00 O ATOM 0 H SER A 85 56.019 12.544 0.444 1.00 0.00 H new ATOM 0 HA SER A 85 58.488 13.437 1.538 1.00 0.00 H new ATOM 0 HB2 SER A 85 57.638 13.462 -0.924 1.00 0.00 H new ATOM 0 HB3 SER A 85 56.743 14.904 -0.486 1.00 0.00 H new ATOM 0 HG SER A 85 58.868 15.405 -1.303 1.00 0.00 H new ATOM 1250 N PRO A 86 57.827 15.291 3.175 1.00 0.00 N ATOM 1251 CA PRO A 86 57.457 16.397 4.076 1.00 0.00 C ATOM 1252 C PRO A 86 57.892 17.760 3.541 1.00 0.00 C ATOM 1253 O PRO A 86 57.139 18.731 3.588 1.00 0.00 O ATOM 1254 CB PRO A 86 58.219 16.049 5.350 1.00 0.00 C ATOM 1255 CG PRO A 86 59.392 15.167 4.943 1.00 0.00 C ATOM 1256 CD PRO A 86 59.077 14.591 3.559 1.00 0.00 C ATOM 0 HA PRO A 86 56.379 16.487 4.207 1.00 0.00 H new ATOM 0 HB2 PRO A 86 58.571 16.953 5.847 1.00 0.00 H new ATOM 0 HB3 PRO A 86 57.572 15.528 6.056 1.00 0.00 H new ATOM 0 HG2 PRO A 86 60.315 15.746 4.916 1.00 0.00 H new ATOM 0 HG3 PRO A 86 59.539 14.366 5.667 1.00 0.00 H new ATOM 0 HD2 PRO A 86 59.881 14.786 2.850 1.00 0.00 H new ATOM 0 HD3 PRO A 86 58.938 13.510 3.595 1.00 0.00 H new ATOM 1264 N SER A 87 59.120 17.818 3.031 1.00 0.00 N ATOM 1265 CA SER A 87 59.651 19.065 2.487 1.00 0.00 C ATOM 1266 C SER A 87 58.837 19.506 1.276 1.00 0.00 C ATOM 1267 O SER A 87 58.104 18.717 0.681 1.00 0.00 O ATOM 1268 CB SER A 87 61.111 18.888 2.070 1.00 0.00 C ATOM 1269 OG SER A 87 61.787 18.108 3.046 1.00 0.00 O ATOM 0 H SER A 87 59.760 17.025 2.983 1.00 0.00 H new ATOM 0 HA SER A 87 59.587 19.826 3.264 1.00 0.00 H new ATOM 0 HB2 SER A 87 61.167 18.401 1.096 1.00 0.00 H new ATOM 0 HB3 SER A 87 61.592 19.861 1.968 1.00 0.00 H new ATOM 0 HG SER A 87 62.723 17.991 2.780 1.00 0.00 H new ATOM 1275 N ALA A 88 58.977 20.779 0.916 1.00 0.00 N ATOM 1276 CA ALA A 88 58.250 21.321 -0.229 1.00 0.00 C ATOM 1277 C ALA A 88 59.152 22.242 -1.045 1.00 0.00 C ATOM 1278 O ALA A 88 60.354 22.338 -0.795 1.00 0.00 O ATOM 1279 CB ALA A 88 57.025 22.110 0.239 1.00 0.00 C ATOM 0 H ALA A 88 59.580 21.448 1.394 1.00 0.00 H new ATOM 0 HA ALA A 88 57.927 20.485 -0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 88 56.495 22.507 -0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 88 56.361 21.452 0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 88 57.345 22.934 0.877 1.00 0.00 H new ATOM 1285 N GLY A 89 58.558 22.916 -2.025 1.00 0.00 N ATOM 1286 CA GLY A 89 59.315 23.829 -2.877 1.00 0.00 C ATOM 1287 C GLY A 89 59.700 25.090 -2.111 1.00 0.00 C ATOM 1288 O GLY A 89 60.875 25.339 -1.845 1.00 0.00 O ATOM 0 H GLY A 89 57.565 22.849 -2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 89 60.213 23.332 -3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 89 58.720 24.096 -3.751 1.00 0.00 H new ATOM 1292 N GLY A 90 58.692 25.884 -1.759 1.00 0.00 N ATOM 1293 CA GLY A 90 58.933 27.121 -1.022 1.00 0.00 C ATOM 1294 C GLY A 90 57.991 28.224 -1.493 1.00 0.00 C ATOM 1295 O GLY A 90 57.504 28.203 -2.623 1.00 0.00 O ATOM 0 H GLY A 90 57.712 25.696 -1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 90 58.792 26.947 0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 90 59.967 27.436 -1.160 1.00 0.00 H new ATOM 1299 N ALA A 91 57.742 29.188 -0.612 1.00 0.00 N ATOM 1300 CA ALA A 91 56.855 30.300 -0.945 1.00 0.00 C ATOM 1301 C ALA A 91 56.843 31.327 0.185 1.00 0.00 C ATOM 1302 O ALA A 91 55.809 31.922 0.494 1.00 0.00 O ATOM 1303 CB ALA A 91 55.429 29.794 -1.179 1.00 0.00 C ATOM 0 H ALA A 91 58.136 29.223 0.328 1.00 0.00 H new ATOM 0 HA ALA A 91 57.226 30.769 -1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 91 54.781 30.635 -1.426 1.00 0.00 H new ATOM 0 HB2 ALA A 91 55.427 29.080 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 91 55.063 29.307 -0.275 1.00 0.00 H new ATOM 1309 N ALA A 92 58.008 31.531 0.797 1.00 0.00 N ATOM 1310 CA ALA A 92 58.128 32.489 1.893 1.00 0.00 C ATOM 1311 C ALA A 92 57.222 32.087 3.055 1.00 0.00 C ATOM 1312 O ALA A 92 56.640 32.936 3.732 1.00 0.00 O ATOM 1313 CB ALA A 92 57.749 33.895 1.423 1.00 0.00 C ATOM 0 H ALA A 92 58.875 31.050 0.555 1.00 0.00 H new ATOM 0 HA ALA A 92 59.166 32.489 2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 92 57.845 34.594 2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 92 58.413 34.199 0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 92 56.719 33.894 1.066 1.00 0.00 H new ATOM 1319 N ARG A 93 57.112 30.780 3.278 1.00 0.00 N ATOM 1320 CA ARG A 93 56.275 30.268 4.361 1.00 0.00 C ATOM 1321 C ARG A 93 56.782 30.769 5.709 1.00 0.00 C ATOM 1322 O ARG A 93 56.018 31.290 6.522 1.00 0.00 O ATOM 1323 CB ARG A 93 56.282 28.739 4.364 1.00 0.00 C ATOM 1324 CG ARG A 93 55.023 28.223 5.065 1.00 0.00 C ATOM 1325 CD ARG A 93 54.617 26.878 4.460 1.00 0.00 C ATOM 1326 NE ARG A 93 55.732 25.929 4.513 1.00 0.00 N ATOM 1327 CZ ARG A 93 55.745 24.803 3.786 1.00 0.00 C ATOM 1328 NH1 ARG A 93 54.751 24.497 2.988 1.00 0.00 N ATOM 1329 NH2 ARG A 93 56.767 23.996 3.875 1.00 0.00 N ATOM 0 H ARG A 93 57.586 30.062 2.730 1.00 0.00 H new ATOM 0 HA ARG A 93 55.259 30.627 4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 93 56.322 28.363 3.342 1.00 0.00 H new ATOM 0 HB3 ARG A 93 57.172 28.370 4.874 1.00 0.00 H new ATOM 0 HG2 ARG A 93 55.208 28.112 6.133 1.00 0.00 H new ATOM 0 HG3 ARG A 93 54.212 28.943 4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 93 53.762 26.473 5.002 1.00 0.00 H new ATOM 0 HD3 ARG A 93 54.302 27.019 3.426 1.00 0.00 H new ATOM 0 HE ARG A 93 56.524 26.132 5.123 1.00 0.00 H new ATOM 0 HH11 ARG A 93 53.948 25.121 2.912 1.00 0.00 H new ATOM 0 HH12 ARG A 93 54.781 23.635 2.443 1.00 0.00 H new ATOM 0 HH21 ARG A 93 57.545 24.225 4.493 1.00 0.00 H new ATOM 0 HH22 ARG A 93 56.787 23.136 3.326 1.00 0.00 H new ATOM 1343 N ASP A 94 58.083 30.607 5.937 1.00 0.00 N ATOM 1344 CA ASP A 94 58.688 31.046 7.191 1.00 0.00 C ATOM 1345 C ASP A 94 60.209 30.963 7.105 1.00 0.00 C ATOM 1346 O ASP A 94 60.908 31.971 7.215 1.00 0.00 O ATOM 1347 CB ASP A 94 58.206 30.176 8.353 1.00 0.00 C ATOM 1348 CG ASP A 94 58.377 30.936 9.664 1.00 0.00 C ATOM 1349 OD1 ASP A 94 57.576 31.819 9.922 1.00 0.00 O ATOM 1350 OD2 ASP A 94 59.307 30.625 10.388 1.00 0.00 O ATOM 0 H ASP A 94 58.733 30.179 5.277 1.00 0.00 H new ATOM 0 HA ASP A 94 58.389 32.080 7.365 1.00 0.00 H new ATOM 0 HB2 ASP A 94 57.159 29.907 8.210 1.00 0.00 H new ATOM 0 HB3 ASP A 94 58.773 29.245 8.384 1.00 0.00 H new ATOM 1355 N LYS A 95 60.712 29.748 6.907 1.00 0.00 N ATOM 1356 CA LYS A 95 62.154 29.538 6.807 1.00 0.00 C ATOM 1357 C LYS A 95 62.510 28.921 5.458 1.00 0.00 C ATOM 1358 O LYS A 95 61.611 28.425 4.800 1.00 0.00 O ATOM 1359 CB LYS A 95 62.639 28.611 7.923 1.00 0.00 C ATOM 1360 CG LYS A 95 64.071 28.986 8.313 1.00 0.00 C ATOM 1361 CD LYS A 95 64.272 28.744 9.809 1.00 0.00 C ATOM 1362 CE LYS A 95 65.763 28.814 10.142 1.00 0.00 C ATOM 1363 NZ LYS A 95 66.358 27.450 10.047 1.00 0.00 N ATOM 1364 OXT LYS A 95 63.676 28.955 5.103 1.00 0.00 O ATOM 0 H LYS A 95 60.150 28.902 6.813 1.00 0.00 H new ATOM 0 HA LYS A 95 62.643 30.508 6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 95 61.982 28.692 8.789 1.00 0.00 H new ATOM 0 HB3 LYS A 95 62.601 27.574 7.591 1.00 0.00 H new ATOM 0 HG2 LYS A 95 64.783 28.393 7.739 1.00 0.00 H new ATOM 0 HG3 LYS A 95 64.262 30.032 8.074 1.00 0.00 H new ATOM 0 HD2 LYS A 95 63.725 29.490 10.385 1.00 0.00 H new ATOM 0 HD3 LYS A 95 63.872 27.769 10.087 1.00 0.00 H new ATOM 0 HE2 LYS A 95 66.269 29.492 9.454 1.00 0.00 H new ATOM 0 HE3 LYS A 95 65.904 29.215 11.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 67.372 27.497 10.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 65.882 26.816 10.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 66.236 27.084 9.081 1.00 0.00 H new TER 1378 LYS A 95