USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 862 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 94 THR OG1 : rot -80:sc= -1.53! USER MOD Set 1.2: A 96 TYR OH : rot 112:sc= 0.284 USER MOD Set 2.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 74 ASN : amide:sc= -0.109 K(o=-0.11,f=-2!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0127 USER MOD Single : A 10 THR OG1 : rot -33:sc= 0.0173! USER MOD Single : A 11 SER OG : rot -9:sc= -2.45! USER MOD Single : A 13 SER OG : rot 71:sc= -0.0778! USER MOD Single : A 14 THR OG1 : rot 7:sc= 0.847! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= -0.0244 (180deg=-0.32) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.031 K(o=-0.031,f=-5.5!) USER MOD Single : A 45 ASN : amide:sc= -0.0286 K(o=-0.029,f=-1.9!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -26:sc= 0.191 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS :FLIP no HE2:sc= 0.0228 F(o=-0.51,f=0.023) USER MOD Single : A 69 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.2!) USER MOD Single : A 71 SER OG : rot -170:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc=-0.00981 K(o=-0.0098,f=-1.4) USER MOD Single : A 79 ASN : amide:sc= -0.589 K(o=-0.59,f=-3) USER MOD Single : A 80 LYS NZ :NH3+ -157:sc= -0.0233 (180deg=-0.115) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0215 K(o=-0.022,f=-1.7!) USER MOD Single : A 88 MET CE :methyl 159:sc= -0.151 (180deg=-0.745) USER MOD Single : A 90 HIS : no HD1:sc= -0.075 X(o=-0.075,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.136 K(o=-0.14,f=-3!) USER MOD Single : A 93 ASN : amide:sc= -2.43! C(o=-2.4!,f=-5.5!) USER MOD Single : A 97 SER OG : rot 160:sc= 0.562 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc=-0.00307 K(o=-0.0031,f=-1.9!) USER MOD Single : A 108 LYS NZ :NH3+ -170:sc= 0.15 (180deg=-0.294) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -155:sc= -0.141 (180deg=-0.973) USER MOD Single : A 117 ASN : amide:sc= -0.0972 K(o=-0.097,f=-1.6!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 117.202 12.555 -4.690 1.00 0.00 N ATOM 19 CA LYS A 2 116.898 11.115 -4.455 1.00 0.00 C ATOM 20 C LYS A 2 116.923 10.832 -2.950 1.00 0.00 C ATOM 21 O LYS A 2 117.497 11.576 -2.180 1.00 0.00 O ATOM 22 CB LYS A 2 117.946 10.251 -5.162 1.00 0.00 C ATOM 23 CG LYS A 2 117.959 10.583 -6.658 1.00 0.00 C ATOM 24 CD LYS A 2 116.676 10.066 -7.316 1.00 0.00 C ATOM 25 CE LYS A 2 116.876 9.984 -8.831 1.00 0.00 C ATOM 26 NZ LYS A 2 117.535 8.692 -9.176 1.00 0.00 N ATOM 0 HA LYS A 2 115.911 10.878 -4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 2 118.931 10.430 -4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 2 117.721 9.195 -5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 2 118.043 11.660 -6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 2 118.830 10.131 -7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 2 116.421 9.084 -6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 2 115.843 10.729 -7.084 1.00 0.00 H new ATOM 0 HE2 LYS A 2 115.915 10.062 -9.340 1.00 0.00 H new ATOM 0 HE3 LYS A 2 117.487 10.819 -9.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 117.671 8.636 -10.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 118.458 8.636 -8.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 116.936 7.902 -8.862 1.00 0.00 H new ATOM 40 N VAL A 3 116.291 9.772 -2.525 1.00 0.00 N ATOM 41 CA VAL A 3 116.259 9.449 -1.068 1.00 0.00 C ATOM 42 C VAL A 3 117.219 8.296 -0.769 1.00 0.00 C ATOM 43 O VAL A 3 117.244 7.300 -1.462 1.00 0.00 O ATOM 44 CB VAL A 3 114.842 9.026 -0.679 1.00 0.00 C ATOM 45 CG1 VAL A 3 114.841 8.481 0.750 1.00 0.00 C ATOM 46 CG2 VAL A 3 113.905 10.230 -0.770 1.00 0.00 C ATOM 0 H VAL A 3 115.794 9.114 -3.125 1.00 0.00 H new ATOM 0 HA VAL A 3 116.559 10.329 -0.499 1.00 0.00 H new ATOM 0 HB VAL A 3 114.498 8.248 -1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 3 113.830 8.180 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 3 115.505 7.619 0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 3 115.188 9.255 1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.895 9.927 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 3 114.249 11.011 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.901 10.612 -1.791 1.00 0.00 H new ATOM 56 N LYS A 4 118.016 8.423 0.260 1.00 0.00 N ATOM 57 CA LYS A 4 118.960 7.322 0.591 1.00 0.00 C ATOM 58 C LYS A 4 118.156 6.112 1.061 1.00 0.00 C ATOM 59 O LYS A 4 117.431 6.176 2.034 1.00 0.00 O ATOM 60 CB LYS A 4 119.907 7.765 1.712 1.00 0.00 C ATOM 61 CG LYS A 4 120.704 8.996 1.272 1.00 0.00 C ATOM 62 CD LYS A 4 121.616 8.630 0.100 1.00 0.00 C ATOM 63 CE LYS A 4 122.711 9.687 -0.045 1.00 0.00 C ATOM 64 NZ LYS A 4 123.639 9.291 -1.143 1.00 0.00 N ATOM 0 H LYS A 4 118.052 9.234 0.878 1.00 0.00 H new ATOM 0 HA LYS A 4 119.547 7.066 -0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 4 119.336 7.994 2.612 1.00 0.00 H new ATOM 0 HB3 LYS A 4 120.588 6.953 1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 4 120.024 9.796 0.979 1.00 0.00 H new ATOM 0 HG3 LYS A 4 121.299 9.372 2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 4 122.062 7.649 0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 4 121.035 8.565 -0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 4 122.267 10.659 -0.262 1.00 0.00 H new ATOM 0 HE3 LYS A 4 123.260 9.789 0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 124.385 10.009 -1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 124.071 8.372 -0.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 123.109 9.215 -2.035 1.00 0.00 H new ATOM 78 N GLY A 5 118.274 5.011 0.375 1.00 0.00 N ATOM 79 CA GLY A 5 117.507 3.806 0.786 1.00 0.00 C ATOM 80 C GLY A 5 117.811 2.654 -0.167 1.00 0.00 C ATOM 81 O GLY A 5 118.523 2.811 -1.139 1.00 0.00 O ATOM 0 H GLY A 5 118.865 4.894 -0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 5 117.770 3.526 1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 5 116.439 4.023 0.780 1.00 0.00 H new ATOM 85 N CYS A 6 117.275 1.494 0.103 1.00 0.00 N ATOM 86 CA CYS A 6 117.527 0.323 -0.783 1.00 0.00 C ATOM 87 C CYS A 6 116.198 -0.190 -1.334 1.00 0.00 C ATOM 88 O CYS A 6 115.236 -0.374 -0.609 1.00 0.00 O ATOM 89 CB CYS A 6 118.211 -0.778 0.025 1.00 0.00 C ATOM 90 SG CYS A 6 119.117 -1.881 -1.088 1.00 0.00 S ATOM 0 H CYS A 6 116.671 1.307 0.903 1.00 0.00 H new ATOM 0 HA CYS A 6 118.170 0.617 -1.612 1.00 0.00 H new ATOM 0 HB2 CYS A 6 118.894 -0.338 0.751 1.00 0.00 H new ATOM 0 HB3 CYS A 6 117.468 -1.344 0.588 1.00 0.00 H new ATOM 95 N ASP A 7 116.139 -0.417 -2.618 1.00 0.00 N ATOM 96 CA ASP A 7 114.879 -0.925 -3.232 1.00 0.00 C ATOM 97 C ASP A 7 115.057 -2.395 -3.621 1.00 0.00 C ATOM 98 O ASP A 7 115.760 -2.718 -4.558 1.00 0.00 O ATOM 99 CB ASP A 7 114.555 -0.102 -4.480 1.00 0.00 C ATOM 100 CG ASP A 7 113.118 -0.389 -4.923 1.00 0.00 C ATOM 101 OD1 ASP A 7 112.591 -1.415 -4.528 1.00 0.00 O ATOM 102 OD2 ASP A 7 112.572 0.422 -5.652 1.00 0.00 O ATOM 0 H ASP A 7 116.910 -0.272 -3.269 1.00 0.00 H new ATOM 0 HA ASP A 7 114.063 -0.836 -2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 7 114.676 0.961 -4.269 1.00 0.00 H new ATOM 0 HB3 ASP A 7 115.250 -0.349 -5.282 1.00 0.00 H new ATOM 107 N PHE A 8 114.418 -3.288 -2.916 1.00 0.00 N ATOM 108 CA PHE A 8 114.541 -4.734 -3.255 1.00 0.00 C ATOM 109 C PHE A 8 113.507 -5.082 -4.327 1.00 0.00 C ATOM 110 O PHE A 8 113.406 -6.210 -4.769 1.00 0.00 O ATOM 111 CB PHE A 8 114.280 -5.580 -2.006 1.00 0.00 C ATOM 112 CG PHE A 8 115.398 -5.380 -1.010 1.00 0.00 C ATOM 113 CD1 PHE A 8 116.568 -6.143 -1.108 1.00 0.00 C ATOM 114 CD2 PHE A 8 115.260 -4.437 0.016 1.00 0.00 C ATOM 115 CE1 PHE A 8 117.602 -5.961 -0.181 1.00 0.00 C ATOM 116 CE2 PHE A 8 116.294 -4.256 0.943 1.00 0.00 C ATOM 117 CZ PHE A 8 117.465 -5.018 0.844 1.00 0.00 C ATOM 0 H PHE A 8 113.816 -3.079 -2.120 1.00 0.00 H new ATOM 0 HA PHE A 8 115.545 -4.940 -3.625 1.00 0.00 H new ATOM 0 HB2 PHE A 8 113.327 -5.299 -1.558 1.00 0.00 H new ATOM 0 HB3 PHE A 8 114.207 -6.633 -2.278 1.00 0.00 H new ATOM 0 HD1 PHE A 8 116.673 -6.872 -1.898 1.00 0.00 H new ATOM 0 HD2 PHE A 8 114.357 -3.850 0.092 1.00 0.00 H new ATOM 0 HE1 PHE A 8 118.505 -6.548 -0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 8 116.188 -3.529 1.734 1.00 0.00 H new ATOM 0 HZ PHE A 8 118.262 -4.878 1.559 1.00 0.00 H new ATOM 127 N THR A 9 112.724 -4.119 -4.728 1.00 0.00 N ATOM 128 CA THR A 9 111.674 -4.385 -5.753 1.00 0.00 C ATOM 129 C THR A 9 112.125 -3.881 -7.128 1.00 0.00 C ATOM 130 O THR A 9 111.552 -4.235 -8.140 1.00 0.00 O ATOM 131 CB THR A 9 110.390 -3.658 -5.346 1.00 0.00 C ATOM 132 OG1 THR A 9 110.103 -3.937 -3.983 1.00 0.00 O ATOM 133 CG2 THR A 9 109.230 -4.135 -6.222 1.00 0.00 C ATOM 0 H THR A 9 112.766 -3.158 -4.390 1.00 0.00 H new ATOM 0 HA THR A 9 111.500 -5.459 -5.814 1.00 0.00 H new ATOM 0 HB THR A 9 110.523 -2.584 -5.478 1.00 0.00 H new ATOM 0 HG1 THR A 9 109.282 -3.471 -3.720 1.00 0.00 H new ATOM 0 HG21 THR A 9 108.317 -3.616 -5.931 1.00 0.00 H new ATOM 0 HG22 THR A 9 109.451 -3.920 -7.267 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.094 -5.209 -6.093 1.00 0.00 H new ATOM 141 N THR A 10 113.130 -3.051 -7.183 1.00 0.00 N ATOM 142 CA THR A 10 113.579 -2.534 -8.509 1.00 0.00 C ATOM 143 C THR A 10 115.028 -2.039 -8.423 1.00 0.00 C ATOM 144 O THR A 10 115.372 -1.234 -7.580 1.00 0.00 O ATOM 145 CB THR A 10 112.672 -1.374 -8.928 1.00 0.00 C ATOM 146 OG1 THR A 10 111.318 -1.717 -8.668 1.00 0.00 O ATOM 147 CG2 THR A 10 112.850 -1.093 -10.421 1.00 0.00 C ATOM 0 H THR A 10 113.655 -2.711 -6.378 1.00 0.00 H new ATOM 0 HA THR A 10 113.523 -3.337 -9.243 1.00 0.00 H new ATOM 0 HB THR A 10 112.939 -0.483 -8.360 1.00 0.00 H new ATOM 0 HG1 THR A 10 111.194 -2.681 -8.796 1.00 0.00 H new ATOM 0 HG21 THR A 10 112.203 -0.267 -10.715 1.00 0.00 H new ATOM 0 HG22 THR A 10 113.889 -0.829 -10.620 1.00 0.00 H new ATOM 0 HG23 THR A 10 112.586 -1.983 -10.993 1.00 0.00 H new ATOM 155 N SER A 11 115.871 -2.509 -9.303 1.00 0.00 N ATOM 156 CA SER A 11 117.292 -2.052 -9.281 1.00 0.00 C ATOM 157 C SER A 11 117.345 -0.580 -9.686 1.00 0.00 C ATOM 158 O SER A 11 118.261 0.140 -9.337 1.00 0.00 O ATOM 159 CB SER A 11 118.116 -2.886 -10.259 1.00 0.00 C ATOM 160 OG SER A 11 117.544 -2.787 -11.556 1.00 0.00 O ATOM 0 H SER A 11 115.640 -3.185 -10.031 1.00 0.00 H new ATOM 0 HA SER A 11 117.703 -2.173 -8.279 1.00 0.00 H new ATOM 0 HB2 SER A 11 119.148 -2.534 -10.276 1.00 0.00 H new ATOM 0 HB3 SER A 11 118.139 -3.927 -9.937 1.00 0.00 H new ATOM 0 HG SER A 11 116.681 -2.326 -11.499 1.00 0.00 H new ATOM 166 N GLU A 12 116.357 -0.128 -10.412 1.00 0.00 N ATOM 167 CA GLU A 12 116.327 1.301 -10.839 1.00 0.00 C ATOM 168 C GLU A 12 115.132 1.984 -10.168 1.00 0.00 C ATOM 169 O GLU A 12 114.127 2.252 -10.794 1.00 0.00 O ATOM 170 CB GLU A 12 116.166 1.374 -12.358 1.00 0.00 C ATOM 171 CG GLU A 12 117.376 0.727 -13.034 1.00 0.00 C ATOM 172 CD GLU A 12 117.169 -0.786 -13.104 1.00 0.00 C ATOM 173 OE1 GLU A 12 116.182 -1.253 -12.559 1.00 0.00 O ATOM 174 OE2 GLU A 12 117.998 -1.451 -13.703 1.00 0.00 O ATOM 0 H GLU A 12 115.567 -0.690 -10.729 1.00 0.00 H new ATOM 0 HA GLU A 12 117.254 1.798 -10.551 1.00 0.00 H new ATOM 0 HB2 GLU A 12 115.252 0.865 -12.662 1.00 0.00 H new ATOM 0 HB3 GLU A 12 116.072 2.413 -12.674 1.00 0.00 H new ATOM 0 HG2 GLU A 12 117.507 1.134 -14.037 1.00 0.00 H new ATOM 0 HG3 GLU A 12 118.284 0.956 -12.476 1.00 0.00 H new ATOM 181 N SER A 13 115.232 2.249 -8.897 1.00 0.00 N ATOM 182 CA SER A 13 114.093 2.895 -8.182 1.00 0.00 C ATOM 183 C SER A 13 113.957 4.354 -8.614 1.00 0.00 C ATOM 184 O SER A 13 114.911 4.991 -9.015 1.00 0.00 O ATOM 185 CB SER A 13 114.342 2.839 -6.675 1.00 0.00 C ATOM 186 OG SER A 13 115.643 3.341 -6.396 1.00 0.00 O ATOM 0 H SER A 13 116.050 2.048 -8.322 1.00 0.00 H new ATOM 0 HA SER A 13 113.174 2.362 -8.428 1.00 0.00 H new ATOM 0 HB2 SER A 13 113.591 3.428 -6.148 1.00 0.00 H new ATOM 0 HB3 SER A 13 114.251 1.813 -6.317 1.00 0.00 H new ATOM 0 HG SER A 13 115.656 4.311 -6.536 1.00 0.00 H new ATOM 192 N THR A 14 112.773 4.888 -8.515 1.00 0.00 N ATOM 193 CA THR A 14 112.554 6.311 -8.895 1.00 0.00 C ATOM 194 C THR A 14 112.496 7.150 -7.621 1.00 0.00 C ATOM 195 O THR A 14 112.312 8.350 -7.661 1.00 0.00 O ATOM 196 CB THR A 14 111.231 6.441 -9.656 1.00 0.00 C ATOM 197 OG1 THR A 14 110.793 7.793 -9.613 1.00 0.00 O ATOM 198 CG2 THR A 14 110.179 5.542 -9.006 1.00 0.00 C ATOM 0 H THR A 14 111.942 4.397 -8.185 1.00 0.00 H new ATOM 0 HA THR A 14 113.367 6.657 -9.534 1.00 0.00 H new ATOM 0 HB THR A 14 111.375 6.138 -10.693 1.00 0.00 H new ATOM 0 HG1 THR A 14 111.490 8.350 -9.207 1.00 0.00 H new ATOM 0 HG21 THR A 14 109.237 5.634 -9.547 1.00 0.00 H new ATOM 0 HG22 THR A 14 110.516 4.506 -9.038 1.00 0.00 H new ATOM 0 HG23 THR A 14 110.033 5.844 -7.969 1.00 0.00 H new ATOM 206 N ILE A 15 112.656 6.518 -6.487 1.00 0.00 N ATOM 207 CA ILE A 15 112.613 7.259 -5.194 1.00 0.00 C ATOM 208 C ILE A 15 113.900 7.016 -4.402 1.00 0.00 C ATOM 209 O ILE A 15 114.285 7.823 -3.582 1.00 0.00 O ATOM 210 CB ILE A 15 111.407 6.782 -4.383 1.00 0.00 C ATOM 211 CG1 ILE A 15 111.353 5.253 -4.402 1.00 0.00 C ATOM 212 CG2 ILE A 15 110.122 7.342 -4.996 1.00 0.00 C ATOM 213 CD1 ILE A 15 110.344 4.763 -3.360 1.00 0.00 C ATOM 0 H ILE A 15 112.816 5.514 -6.402 1.00 0.00 H new ATOM 0 HA ILE A 15 112.523 8.327 -5.393 1.00 0.00 H new ATOM 0 HB ILE A 15 111.502 7.132 -3.355 1.00 0.00 H new ATOM 0 HG12 ILE A 15 111.067 4.901 -5.393 1.00 0.00 H new ATOM 0 HG13 ILE A 15 112.340 4.841 -4.190 1.00 0.00 H new ATOM 0 HG21 ILE A 15 109.264 7.001 -4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 15 110.158 8.431 -4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 15 110.027 6.993 -6.024 1.00 0.00 H new ATOM 0 HD11 ILE A 15 110.306 3.674 -3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 15 110.649 5.103 -2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 15 109.357 5.163 -3.593 1.00 0.00 H new ATOM 225 N PHE A 16 114.564 5.907 -4.627 1.00 0.00 N ATOM 226 CA PHE A 16 115.820 5.619 -3.864 1.00 0.00 C ATOM 227 C PHE A 16 117.023 5.643 -4.808 1.00 0.00 C ATOM 228 O PHE A 16 116.961 5.177 -5.928 1.00 0.00 O ATOM 229 CB PHE A 16 115.719 4.239 -3.205 1.00 0.00 C ATOM 230 CG PHE A 16 114.656 4.264 -2.132 1.00 0.00 C ATOM 231 CD1 PHE A 16 114.866 4.994 -0.955 1.00 0.00 C ATOM 232 CD2 PHE A 16 113.461 3.562 -2.313 1.00 0.00 C ATOM 233 CE1 PHE A 16 113.881 5.019 0.040 1.00 0.00 C ATOM 234 CE2 PHE A 16 112.477 3.587 -1.319 1.00 0.00 C ATOM 235 CZ PHE A 16 112.686 4.314 -0.141 1.00 0.00 C ATOM 0 H PHE A 16 114.292 5.192 -5.302 1.00 0.00 H new ATOM 0 HA PHE A 16 115.950 6.382 -3.096 1.00 0.00 H new ATOM 0 HB2 PHE A 16 115.476 3.485 -3.954 1.00 0.00 H new ATOM 0 HB3 PHE A 16 116.680 3.961 -2.772 1.00 0.00 H new ATOM 0 HD1 PHE A 16 115.788 5.538 -0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 16 113.297 3.000 -3.221 1.00 0.00 H new ATOM 0 HE1 PHE A 16 114.044 5.582 0.947 1.00 0.00 H new ATOM 0 HE2 PHE A 16 111.554 3.044 -1.461 1.00 0.00 H new ATOM 0 HZ PHE A 16 111.926 4.331 0.627 1.00 0.00 H new ATOM 245 N SER A 17 118.113 6.207 -4.362 1.00 0.00 N ATOM 246 CA SER A 17 119.329 6.293 -5.222 1.00 0.00 C ATOM 247 C SER A 17 119.944 4.905 -5.434 1.00 0.00 C ATOM 248 O SER A 17 120.756 4.717 -6.317 1.00 0.00 O ATOM 249 CB SER A 17 120.360 7.195 -4.547 1.00 0.00 C ATOM 250 OG SER A 17 120.701 6.649 -3.281 1.00 0.00 O ATOM 0 H SER A 17 118.214 6.615 -3.432 1.00 0.00 H new ATOM 0 HA SER A 17 119.042 6.703 -6.190 1.00 0.00 H new ATOM 0 HB2 SER A 17 121.250 7.281 -5.171 1.00 0.00 H new ATOM 0 HB3 SER A 17 119.957 8.201 -4.426 1.00 0.00 H new ATOM 0 HG SER A 17 121.364 7.224 -2.845 1.00 0.00 H new ATOM 256 N LYS A 18 119.585 3.936 -4.633 1.00 0.00 N ATOM 257 CA LYS A 18 120.182 2.574 -4.805 1.00 0.00 C ATOM 258 C LYS A 18 119.102 1.491 -4.722 1.00 0.00 C ATOM 259 O LYS A 18 118.137 1.603 -3.986 1.00 0.00 O ATOM 260 CB LYS A 18 121.221 2.339 -3.707 1.00 0.00 C ATOM 261 CG LYS A 18 122.422 3.262 -3.927 1.00 0.00 C ATOM 262 CD LYS A 18 123.445 3.040 -2.810 1.00 0.00 C ATOM 263 CE LYS A 18 124.626 3.994 -3.001 1.00 0.00 C ATOM 264 NZ LYS A 18 125.372 3.618 -4.235 1.00 0.00 N ATOM 0 H LYS A 18 118.911 4.025 -3.873 1.00 0.00 H new ATOM 0 HA LYS A 18 120.652 2.520 -5.787 1.00 0.00 H new ATOM 0 HB2 LYS A 18 120.779 2.528 -2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 18 121.544 1.298 -3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 18 122.877 3.060 -4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 18 122.098 4.303 -3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 18 122.981 3.209 -1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 18 123.793 2.007 -2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 18 124.269 5.021 -3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 18 125.287 3.950 -2.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 126.314 4.058 -4.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 125.474 2.584 -4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 124.849 3.949 -5.071 1.00 0.00 H new ATOM 278 N GLY A 19 119.266 0.434 -5.470 1.00 0.00 N ATOM 279 CA GLY A 19 118.262 -0.667 -5.440 1.00 0.00 C ATOM 280 C GLY A 19 118.866 -1.933 -6.047 1.00 0.00 C ATOM 281 O GLY A 19 119.962 -1.917 -6.569 1.00 0.00 O ATOM 0 H GLY A 19 120.053 0.285 -6.101 1.00 0.00 H new ATOM 0 HA2 GLY A 19 117.949 -0.858 -4.414 1.00 0.00 H new ATOM 0 HA3 GLY A 19 117.371 -0.375 -5.996 1.00 0.00 H new ATOM 285 N TYR A 20 118.161 -3.031 -5.977 1.00 0.00 N ATOM 286 CA TYR A 20 118.686 -4.310 -6.544 1.00 0.00 C ATOM 287 C TYR A 20 117.665 -4.894 -7.522 1.00 0.00 C ATOM 288 O TYR A 20 116.503 -4.546 -7.506 1.00 0.00 O ATOM 289 CB TYR A 20 118.931 -5.311 -5.414 1.00 0.00 C ATOM 290 CG TYR A 20 120.182 -4.936 -4.657 1.00 0.00 C ATOM 291 CD1 TYR A 20 120.142 -3.921 -3.695 1.00 0.00 C ATOM 292 CD2 TYR A 20 121.382 -5.611 -4.913 1.00 0.00 C ATOM 293 CE1 TYR A 20 121.302 -3.581 -2.988 1.00 0.00 C ATOM 294 CE2 TYR A 20 122.541 -5.270 -4.208 1.00 0.00 C ATOM 295 CZ TYR A 20 122.501 -4.255 -3.245 1.00 0.00 C ATOM 296 OH TYR A 20 123.644 -3.920 -2.547 1.00 0.00 O ATOM 0 H TYR A 20 117.238 -3.098 -5.549 1.00 0.00 H new ATOM 0 HA TYR A 20 119.622 -4.113 -7.066 1.00 0.00 H new ATOM 0 HB2 TYR A 20 118.077 -5.325 -4.737 1.00 0.00 H new ATOM 0 HB3 TYR A 20 119.031 -6.317 -5.823 1.00 0.00 H new ATOM 0 HD1 TYR A 20 119.217 -3.400 -3.498 1.00 0.00 H new ATOM 0 HD2 TYR A 20 121.413 -6.395 -5.655 1.00 0.00 H new ATOM 0 HE1 TYR A 20 121.271 -2.798 -2.244 1.00 0.00 H new ATOM 0 HE2 TYR A 20 123.467 -5.790 -4.407 1.00 0.00 H new ATOM 0 HH TYR A 20 124.387 -4.484 -2.846 1.00 0.00 H new ATOM 527 N ILE A 36 120.954 -10.435 2.403 1.00 0.00 N ATOM 528 CA ILE A 36 121.258 -9.252 1.547 1.00 0.00 C ATOM 529 C ILE A 36 121.321 -8.017 2.440 1.00 0.00 C ATOM 530 O ILE A 36 120.376 -7.697 3.129 1.00 0.00 O ATOM 531 CB ILE A 36 120.152 -9.067 0.507 1.00 0.00 C ATOM 532 CG1 ILE A 36 119.779 -10.427 -0.093 1.00 0.00 C ATOM 533 CG2 ILE A 36 120.652 -8.142 -0.605 1.00 0.00 C ATOM 534 CD1 ILE A 36 121.003 -11.049 -0.767 1.00 0.00 C ATOM 0 HA ILE A 36 122.208 -9.399 1.033 1.00 0.00 H new ATOM 0 HB ILE A 36 119.275 -8.628 0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 36 119.407 -11.090 0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 36 118.975 -10.306 -0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 36 119.866 -8.008 -1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 36 120.919 -7.174 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 36 121.528 -8.584 -1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 36 120.732 -12.016 -1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 36 121.356 -10.390 -1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 36 121.794 -11.185 -0.030 1.00 0.00 H new ATOM 546 N VAL A 37 122.433 -7.329 2.448 1.00 0.00 N ATOM 547 CA VAL A 37 122.553 -6.119 3.315 1.00 0.00 C ATOM 548 C VAL A 37 122.782 -4.876 2.463 1.00 0.00 C ATOM 549 O VAL A 37 123.700 -4.811 1.668 1.00 0.00 O ATOM 550 CB VAL A 37 123.738 -6.294 4.265 1.00 0.00 C ATOM 551 CG1 VAL A 37 123.868 -5.051 5.148 1.00 0.00 C ATOM 552 CG2 VAL A 37 123.509 -7.522 5.147 1.00 0.00 C ATOM 0 H VAL A 37 123.260 -7.551 1.894 1.00 0.00 H new ATOM 0 HA VAL A 37 121.629 -6.000 3.881 1.00 0.00 H new ATOM 0 HB VAL A 37 124.652 -6.429 3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 37 124.712 -5.173 5.826 1.00 0.00 H new ATOM 0 HG12 VAL A 37 124.030 -4.174 4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 37 122.954 -4.919 5.727 1.00 0.00 H new ATOM 0 HG21 VAL A 37 124.354 -7.646 5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 37 122.596 -7.388 5.727 1.00 0.00 H new ATOM 0 HG23 VAL A 37 123.414 -8.408 4.519 1.00 0.00 H new ATOM 562 N CYS A 38 121.970 -3.869 2.644 1.00 0.00 N ATOM 563 CA CYS A 38 122.165 -2.615 1.870 1.00 0.00 C ATOM 564 C CYS A 38 122.838 -1.589 2.782 1.00 0.00 C ATOM 565 O CYS A 38 122.199 -0.973 3.611 1.00 0.00 O ATOM 566 CB CYS A 38 120.811 -2.066 1.418 1.00 0.00 C ATOM 567 SG CYS A 38 120.097 -3.145 0.150 1.00 0.00 S ATOM 0 H CYS A 38 121.183 -3.863 3.293 1.00 0.00 H new ATOM 0 HA CYS A 38 122.780 -2.814 0.993 1.00 0.00 H new ATOM 0 HB2 CYS A 38 120.135 -1.996 2.270 1.00 0.00 H new ATOM 0 HB3 CYS A 38 120.932 -1.057 1.023 1.00 0.00 H new ATOM 572 N THR A 39 124.122 -1.400 2.640 1.00 0.00 N ATOM 573 CA THR A 39 124.825 -0.419 3.512 1.00 0.00 C ATOM 574 C THR A 39 124.885 0.936 2.814 1.00 0.00 C ATOM 575 O THR A 39 125.452 1.075 1.748 1.00 0.00 O ATOM 576 CB THR A 39 126.248 -0.914 3.791 1.00 0.00 C ATOM 577 OG1 THR A 39 126.192 -2.150 4.491 1.00 0.00 O ATOM 578 CG2 THR A 39 126.992 0.119 4.637 1.00 0.00 C ATOM 0 H THR A 39 124.712 -1.881 1.961 1.00 0.00 H new ATOM 0 HA THR A 39 124.283 -0.317 4.452 1.00 0.00 H new ATOM 0 HB THR A 39 126.774 -1.055 2.847 1.00 0.00 H new ATOM 0 HG1 THR A 39 127.102 -2.467 4.668 1.00 0.00 H new ATOM 0 HG21 THR A 39 128.004 -0.234 4.835 1.00 0.00 H new ATOM 0 HG22 THR A 39 127.037 1.066 4.099 1.00 0.00 H new ATOM 0 HG23 THR A 39 126.467 0.263 5.581 1.00 0.00 H new ATOM 586 N VAL A 40 124.310 1.940 3.416 1.00 0.00 N ATOM 587 CA VAL A 40 124.335 3.298 2.797 1.00 0.00 C ATOM 588 C VAL A 40 124.565 4.345 3.888 1.00 0.00 C ATOM 589 O VAL A 40 124.019 4.255 4.970 1.00 0.00 O ATOM 590 CB VAL A 40 123.000 3.571 2.098 1.00 0.00 C ATOM 591 CG1 VAL A 40 122.890 2.700 0.844 1.00 0.00 C ATOM 592 CG2 VAL A 40 121.849 3.237 3.049 1.00 0.00 C ATOM 0 H VAL A 40 123.823 1.880 4.310 1.00 0.00 H new ATOM 0 HA VAL A 40 125.140 3.349 2.064 1.00 0.00 H new ATOM 0 HB VAL A 40 122.948 4.623 1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 40 121.939 2.895 0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.709 2.935 0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 40 122.943 1.648 1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 40 120.898 3.431 2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 40 121.903 2.185 3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 40 121.924 3.856 3.943 1.00 0.00 H new ATOM 602 N LYS A 41 125.367 5.338 3.618 1.00 0.00 N ATOM 603 CA LYS A 41 125.621 6.384 4.648 1.00 0.00 C ATOM 604 C LYS A 41 124.481 7.405 4.624 1.00 0.00 C ATOM 605 O LYS A 41 124.141 7.948 3.592 1.00 0.00 O ATOM 606 CB LYS A 41 126.943 7.087 4.346 1.00 0.00 C ATOM 607 CG LYS A 41 127.255 8.085 5.463 1.00 0.00 C ATOM 608 CD LYS A 41 128.582 8.789 5.168 1.00 0.00 C ATOM 609 CE LYS A 41 129.747 7.858 5.510 1.00 0.00 C ATOM 610 NZ LYS A 41 131.019 8.631 5.498 1.00 0.00 N ATOM 0 H LYS A 41 125.856 5.470 2.732 1.00 0.00 H new ATOM 0 HA LYS A 41 125.675 5.921 5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 41 127.746 6.355 4.263 1.00 0.00 H new ATOM 0 HB3 LYS A 41 126.882 7.604 3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 41 126.453 8.819 5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 41 127.311 7.568 6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 41 128.628 9.074 4.117 1.00 0.00 H new ATOM 0 HD3 LYS A 41 128.655 9.707 5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 41 129.591 7.408 6.491 1.00 0.00 H new ATOM 0 HE3 LYS A 41 129.798 7.042 4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 131.812 7.999 5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 131.168 9.040 4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 130.968 9.395 6.202 1.00 0.00 H new ATOM 624 N ALA A 42 123.884 7.665 5.756 1.00 0.00 N ATOM 625 CA ALA A 42 122.760 8.644 5.797 1.00 0.00 C ATOM 626 C ALA A 42 123.286 10.004 6.256 1.00 0.00 C ATOM 627 O ALA A 42 124.289 10.092 6.936 1.00 0.00 O ATOM 628 CB ALA A 42 121.693 8.149 6.776 1.00 0.00 C ATOM 0 H ALA A 42 124.126 7.243 6.652 1.00 0.00 H new ATOM 0 HA ALA A 42 122.324 8.742 4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 42 120.870 8.863 6.808 1.00 0.00 H new ATOM 0 HB2 ALA A 42 121.320 7.179 6.447 1.00 0.00 H new ATOM 0 HB3 ALA A 42 122.129 8.052 7.771 1.00 0.00 H new ATOM 634 N HIS A 43 122.618 11.066 5.887 1.00 0.00 N ATOM 635 CA HIS A 43 123.082 12.425 6.298 1.00 0.00 C ATOM 636 C HIS A 43 121.923 13.190 6.943 1.00 0.00 C ATOM 637 O HIS A 43 120.767 12.946 6.660 1.00 0.00 O ATOM 638 CB HIS A 43 123.574 13.187 5.066 1.00 0.00 C ATOM 639 CG HIS A 43 124.456 14.323 5.499 1.00 0.00 C ATOM 640 ND1 HIS A 43 123.940 15.529 5.953 1.00 0.00 N ATOM 641 CD2 HIS A 43 125.822 14.456 5.552 1.00 0.00 C ATOM 642 CE1 HIS A 43 124.981 16.327 6.256 1.00 0.00 C ATOM 643 NE2 HIS A 43 126.147 15.720 6.030 1.00 0.00 N ATOM 0 H HIS A 43 121.771 11.051 5.319 1.00 0.00 H new ATOM 0 HA HIS A 43 123.896 12.329 7.017 1.00 0.00 H new ATOM 0 HB2 HIS A 43 124.124 12.516 4.406 1.00 0.00 H new ATOM 0 HB3 HIS A 43 122.725 13.568 4.498 1.00 0.00 H new ATOM 0 HD2 HIS A 43 126.534 13.696 5.266 1.00 0.00 H new ATOM 0 HE1 HIS A 43 124.884 17.334 6.635 1.00 0.00 H new ATOM 0 HE2 HIS A 43 127.081 16.103 6.177 1.00 0.00 H new ATOM 652 N ALA A 44 122.228 14.108 7.819 1.00 0.00 N ATOM 653 CA ALA A 44 121.151 14.886 8.496 1.00 0.00 C ATOM 654 C ALA A 44 120.264 15.562 7.448 1.00 0.00 C ATOM 655 O ALA A 44 119.112 15.860 7.696 1.00 0.00 O ATOM 656 CB ALA A 44 121.795 15.951 9.398 1.00 0.00 C ATOM 0 H ALA A 44 123.179 14.354 8.096 1.00 0.00 H new ATOM 0 HA ALA A 44 120.537 14.217 9.099 1.00 0.00 H new ATOM 0 HB1 ALA A 44 121.015 16.525 9.897 1.00 0.00 H new ATOM 0 HB2 ALA A 44 122.422 15.464 10.145 1.00 0.00 H new ATOM 0 HB3 ALA A 44 122.406 16.620 8.792 1.00 0.00 H new ATOM 662 N ASN A 45 120.792 15.819 6.284 1.00 0.00 N ATOM 663 CA ASN A 45 119.976 16.482 5.227 1.00 0.00 C ATOM 664 C ASN A 45 119.412 15.423 4.278 1.00 0.00 C ATOM 665 O ASN A 45 118.411 15.631 3.623 1.00 0.00 O ATOM 666 CB ASN A 45 120.857 17.453 4.438 1.00 0.00 C ATOM 667 CG ASN A 45 121.202 18.661 5.310 1.00 0.00 C ATOM 668 OD1 ASN A 45 120.548 18.917 6.301 1.00 0.00 O ATOM 669 ND2 ASN A 45 122.211 19.422 4.980 1.00 0.00 N ATOM 0 H ASN A 45 121.752 15.599 6.018 1.00 0.00 H new ATOM 0 HA ASN A 45 119.155 17.029 5.692 1.00 0.00 H new ATOM 0 HB2 ASN A 45 121.770 16.952 4.117 1.00 0.00 H new ATOM 0 HB3 ASN A 45 120.338 17.779 3.537 1.00 0.00 H new ATOM 0 HD21 ASN A 45 122.449 20.231 5.554 1.00 0.00 H new ATOM 0 HD22 ASN A 45 122.761 19.208 4.148 1.00 0.00 H new ATOM 676 N ASP A 46 120.057 14.293 4.195 1.00 0.00 N ATOM 677 CA ASP A 46 119.569 13.221 3.280 1.00 0.00 C ATOM 678 C ASP A 46 118.370 12.505 3.909 1.00 0.00 C ATOM 679 O ASP A 46 118.374 12.179 5.079 1.00 0.00 O ATOM 680 CB ASP A 46 120.693 12.210 3.046 1.00 0.00 C ATOM 681 CG ASP A 46 121.690 12.776 2.033 1.00 0.00 C ATOM 682 OD1 ASP A 46 121.412 13.827 1.479 1.00 0.00 O ATOM 683 OD2 ASP A 46 122.718 12.150 1.830 1.00 0.00 O ATOM 0 H ASP A 46 120.901 14.064 4.721 1.00 0.00 H new ATOM 0 HA ASP A 46 119.265 13.666 2.333 1.00 0.00 H new ATOM 0 HB2 ASP A 46 121.199 11.990 3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 46 120.280 11.270 2.679 1.00 0.00 H new ATOM 688 N LEU A 47 117.352 12.237 3.135 1.00 0.00 N ATOM 689 CA LEU A 47 116.167 11.519 3.685 1.00 0.00 C ATOM 690 C LEU A 47 116.488 10.029 3.750 1.00 0.00 C ATOM 691 O LEU A 47 117.246 9.522 2.946 1.00 0.00 O ATOM 692 CB LEU A 47 114.953 11.741 2.779 1.00 0.00 C ATOM 693 CG LEU A 47 114.606 13.232 2.734 1.00 0.00 C ATOM 694 CD1 LEU A 47 113.435 13.449 1.774 1.00 0.00 C ATOM 695 CD2 LEU A 47 114.212 13.710 4.133 1.00 0.00 C ATOM 0 H LEU A 47 117.290 12.484 2.147 1.00 0.00 H new ATOM 0 HA LEU A 47 115.937 11.899 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 47 115.166 11.377 1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 47 114.101 11.171 3.150 1.00 0.00 H new ATOM 0 HG LEU A 47 115.472 13.797 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 47 113.185 14.509 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 47 113.714 13.109 0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 47 112.570 12.883 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 47 113.965 14.771 4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 47 113.345 13.147 4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 47 115.044 13.553 4.819 1.00 0.00 H new ATOM 707 N ILE A 48 115.928 9.315 4.697 1.00 0.00 N ATOM 708 CA ILE A 48 116.223 7.852 4.796 1.00 0.00 C ATOM 709 C ILE A 48 114.927 7.044 4.669 1.00 0.00 C ATOM 710 O ILE A 48 113.884 7.432 5.158 1.00 0.00 O ATOM 711 CB ILE A 48 116.866 7.563 6.156 1.00 0.00 C ATOM 712 CG1 ILE A 48 116.013 8.178 7.268 1.00 0.00 C ATOM 713 CG2 ILE A 48 118.268 8.171 6.198 1.00 0.00 C ATOM 714 CD1 ILE A 48 116.523 7.698 8.629 1.00 0.00 C ATOM 0 H ILE A 48 115.285 9.679 5.400 1.00 0.00 H new ATOM 0 HA ILE A 48 116.901 7.567 3.992 1.00 0.00 H new ATOM 0 HB ILE A 48 116.931 6.485 6.302 1.00 0.00 H new ATOM 0 HG12 ILE A 48 116.057 9.266 7.215 1.00 0.00 H new ATOM 0 HG13 ILE A 48 114.969 7.894 7.139 1.00 0.00 H new ATOM 0 HG21 ILE A 48 118.725 7.965 7.166 1.00 0.00 H new ATOM 0 HG22 ILE A 48 118.878 7.733 5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 48 118.202 9.249 6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 48 115.915 8.136 9.421 1.00 0.00 H new ATOM 0 HD12 ILE A 48 116.456 6.611 8.680 1.00 0.00 H new ATOM 0 HD13 ILE A 48 117.561 8.004 8.757 1.00 0.00 H new ATOM 726 N GLY A 49 114.997 5.922 4.008 1.00 0.00 N ATOM 727 CA GLY A 49 113.778 5.075 3.837 1.00 0.00 C ATOM 728 C GLY A 49 114.126 3.849 2.989 1.00 0.00 C ATOM 729 O GLY A 49 115.272 3.616 2.667 1.00 0.00 O ATOM 0 H GLY A 49 115.845 5.553 3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.399 4.762 4.810 1.00 0.00 H new ATOM 0 HA3 GLY A 49 112.986 5.650 3.357 1.00 0.00 H new ATOM 733 N PHE A 50 113.150 3.063 2.623 1.00 0.00 N ATOM 734 CA PHE A 50 113.440 1.859 1.791 1.00 0.00 C ATOM 735 C PHE A 50 112.130 1.207 1.346 1.00 0.00 C ATOM 736 O PHE A 50 111.058 1.583 1.783 1.00 0.00 O ATOM 737 CB PHE A 50 114.264 0.855 2.600 1.00 0.00 C ATOM 738 CG PHE A 50 113.469 0.393 3.797 1.00 0.00 C ATOM 739 CD1 PHE A 50 112.605 -0.702 3.682 1.00 0.00 C ATOM 740 CD2 PHE A 50 113.599 1.057 5.023 1.00 0.00 C ATOM 741 CE1 PHE A 50 111.871 -1.134 4.791 1.00 0.00 C ATOM 742 CE2 PHE A 50 112.864 0.625 6.133 1.00 0.00 C ATOM 743 CZ PHE A 50 112.000 -0.471 6.018 1.00 0.00 C ATOM 0 H PHE A 50 112.168 3.201 2.863 1.00 0.00 H new ATOM 0 HA PHE A 50 114.007 2.164 0.911 1.00 0.00 H new ATOM 0 HB2 PHE A 50 114.530 0.002 1.976 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.197 1.314 2.926 1.00 0.00 H new ATOM 0 HD1 PHE A 50 112.505 -1.214 2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 50 114.266 1.902 5.112 1.00 0.00 H new ATOM 0 HE1 PHE A 50 111.204 -1.979 4.701 1.00 0.00 H new ATOM 0 HE2 PHE A 50 112.963 1.137 7.079 1.00 0.00 H new ATOM 0 HZ PHE A 50 111.434 -0.805 6.875 1.00 0.00 H new ATOM 753 N LYS A 51 112.205 0.230 0.478 1.00 0.00 N ATOM 754 CA LYS A 51 110.960 -0.444 0.007 1.00 0.00 C ATOM 755 C LYS A 51 111.237 -1.925 -0.251 1.00 0.00 C ATOM 756 O LYS A 51 112.304 -2.297 -0.704 1.00 0.00 O ATOM 757 CB LYS A 51 110.485 0.220 -1.285 1.00 0.00 C ATOM 758 CG LYS A 51 109.238 -0.494 -1.810 1.00 0.00 C ATOM 759 CD LYS A 51 108.792 0.149 -3.125 1.00 0.00 C ATOM 760 CE LYS A 51 108.063 1.464 -2.838 1.00 0.00 C ATOM 761 NZ LYS A 51 107.412 1.953 -4.084 1.00 0.00 N ATOM 0 H LYS A 51 113.072 -0.128 0.077 1.00 0.00 H new ATOM 0 HA LYS A 51 110.188 -0.354 0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 51 110.263 1.272 -1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 51 111.276 0.186 -2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 51 109.451 -1.552 -1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 51 108.436 -0.434 -1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 51 109.657 0.334 -3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 51 108.135 -0.530 -3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 51 107.315 1.315 -2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 51 108.767 2.209 -2.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 106.917 2.846 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 108.135 2.110 -4.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 106.729 1.244 -4.420 1.00 0.00 H new ATOM 775 N CYS A 52 110.280 -2.776 0.025 1.00 0.00 N ATOM 776 CA CYS A 52 110.462 -4.236 -0.204 1.00 0.00 C ATOM 777 C CYS A 52 109.324 -4.751 -1.099 1.00 0.00 C ATOM 778 O CYS A 52 108.245 -4.192 -1.119 1.00 0.00 O ATOM 779 CB CYS A 52 110.415 -4.964 1.146 1.00 0.00 C ATOM 780 SG CYS A 52 111.979 -4.736 2.025 1.00 0.00 S ATOM 0 H CYS A 52 109.370 -2.514 0.404 1.00 0.00 H new ATOM 0 HA CYS A 52 111.421 -4.420 -0.688 1.00 0.00 H new ATOM 0 HB2 CYS A 52 109.591 -4.580 1.747 1.00 0.00 H new ATOM 0 HB3 CYS A 52 110.228 -6.026 0.990 1.00 0.00 H new ATOM 785 N PRO A 53 109.553 -5.815 -1.826 1.00 0.00 N ATOM 786 CA PRO A 53 108.523 -6.411 -2.729 1.00 0.00 C ATOM 787 C PRO A 53 107.195 -6.662 -2.001 1.00 0.00 C ATOM 788 O PRO A 53 107.163 -6.952 -0.823 1.00 0.00 O ATOM 789 CB PRO A 53 109.151 -7.736 -3.203 1.00 0.00 C ATOM 790 CG PRO A 53 110.364 -7.943 -2.352 1.00 0.00 C ATOM 791 CD PRO A 53 110.810 -6.568 -1.881 1.00 0.00 C ATOM 0 HA PRO A 53 108.275 -5.743 -3.554 1.00 0.00 H new ATOM 0 HB2 PRO A 53 108.450 -8.563 -3.091 1.00 0.00 H new ATOM 0 HB3 PRO A 53 109.418 -7.686 -4.259 1.00 0.00 H new ATOM 0 HG2 PRO A 53 110.135 -8.587 -1.503 1.00 0.00 H new ATOM 0 HG3 PRO A 53 111.155 -8.433 -2.919 1.00 0.00 H new ATOM 0 HD2 PRO A 53 111.296 -6.613 -0.907 1.00 0.00 H new ATOM 0 HD3 PRO A 53 111.522 -6.116 -2.572 1.00 0.00 H new ATOM 799 N SER A 54 106.102 -6.533 -2.700 1.00 0.00 N ATOM 800 CA SER A 54 104.768 -6.744 -2.067 1.00 0.00 C ATOM 801 C SER A 54 104.571 -8.217 -1.697 1.00 0.00 C ATOM 802 O SER A 54 103.659 -8.563 -0.972 1.00 0.00 O ATOM 803 CB SER A 54 103.673 -6.319 -3.043 1.00 0.00 C ATOM 804 OG SER A 54 102.406 -6.441 -2.410 1.00 0.00 O ATOM 0 H SER A 54 106.074 -6.289 -3.690 1.00 0.00 H new ATOM 0 HA SER A 54 104.714 -6.145 -1.158 1.00 0.00 H new ATOM 0 HB2 SER A 54 103.835 -5.290 -3.363 1.00 0.00 H new ATOM 0 HB3 SER A 54 103.707 -6.940 -3.938 1.00 0.00 H new ATOM 0 HG SER A 54 102.454 -7.126 -1.710 1.00 0.00 H new ATOM 810 N ASN A 55 105.405 -9.092 -2.191 1.00 0.00 N ATOM 811 CA ASN A 55 105.238 -10.538 -1.867 1.00 0.00 C ATOM 812 C ASN A 55 106.033 -10.893 -0.610 1.00 0.00 C ATOM 813 O ASN A 55 106.022 -12.019 -0.166 1.00 0.00 O ATOM 814 CB ASN A 55 105.748 -11.381 -3.037 1.00 0.00 C ATOM 815 CG ASN A 55 104.874 -11.133 -4.267 1.00 0.00 C ATOM 816 OD1 ASN A 55 103.669 -11.270 -4.210 1.00 0.00 O ATOM 817 ND2 ASN A 55 105.437 -10.767 -5.384 1.00 0.00 N ATOM 0 H ASN A 55 106.191 -8.870 -2.802 1.00 0.00 H new ATOM 0 HA ASN A 55 104.182 -10.742 -1.692 1.00 0.00 H new ATOM 0 HB2 ASN A 55 106.785 -11.126 -3.257 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.729 -12.438 -2.772 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.865 -10.595 -6.211 1.00 0.00 H new ATOM 0 HD22 ASN A 55 106.449 -10.652 -5.431 1.00 0.00 H new ATOM 824 N TYR A 56 106.718 -9.946 -0.033 1.00 0.00 N ATOM 825 CA TYR A 56 107.514 -10.226 1.203 1.00 0.00 C ATOM 826 C TYR A 56 106.862 -9.554 2.416 1.00 0.00 C ATOM 827 O TYR A 56 106.028 -8.679 2.281 1.00 0.00 O ATOM 828 CB TYR A 56 108.933 -9.700 1.017 1.00 0.00 C ATOM 829 CG TYR A 56 109.735 -10.698 0.213 1.00 0.00 C ATOM 830 CD1 TYR A 56 109.436 -10.918 -1.136 1.00 0.00 C ATOM 831 CD2 TYR A 56 110.787 -11.395 0.817 1.00 0.00 C ATOM 832 CE1 TYR A 56 110.186 -11.835 -1.879 1.00 0.00 C ATOM 833 CE2 TYR A 56 111.538 -12.313 0.075 1.00 0.00 C ATOM 834 CZ TYR A 56 111.237 -12.533 -1.274 1.00 0.00 C ATOM 835 OH TYR A 56 111.978 -13.437 -2.007 1.00 0.00 O ATOM 0 H TYR A 56 106.763 -8.982 -0.364 1.00 0.00 H new ATOM 0 HA TYR A 56 107.544 -11.302 1.376 1.00 0.00 H new ATOM 0 HB2 TYR A 56 108.912 -8.737 0.506 1.00 0.00 H new ATOM 0 HB3 TYR A 56 109.402 -9.536 1.987 1.00 0.00 H new ATOM 0 HD1 TYR A 56 108.625 -10.379 -1.604 1.00 0.00 H new ATOM 0 HD2 TYR A 56 111.020 -11.224 1.858 1.00 0.00 H new ATOM 0 HE1 TYR A 56 109.954 -12.005 -2.920 1.00 0.00 H new ATOM 0 HE2 TYR A 56 112.349 -12.851 0.543 1.00 0.00 H new ATOM 0 HH TYR A 56 112.669 -13.833 -1.436 1.00 0.00 H new ATOM 845 N SER A 57 107.242 -9.958 3.603 1.00 0.00 N ATOM 846 CA SER A 57 106.652 -9.339 4.828 1.00 0.00 C ATOM 847 C SER A 57 107.674 -8.384 5.444 1.00 0.00 C ATOM 848 O SER A 57 108.838 -8.708 5.576 1.00 0.00 O ATOM 849 CB SER A 57 106.301 -10.434 5.834 1.00 0.00 C ATOM 850 OG SER A 57 106.511 -9.945 7.151 1.00 0.00 O ATOM 0 H SER A 57 107.933 -10.688 3.776 1.00 0.00 H new ATOM 0 HA SER A 57 105.748 -8.790 4.566 1.00 0.00 H new ATOM 0 HB2 SER A 57 105.262 -10.740 5.708 1.00 0.00 H new ATOM 0 HB3 SER A 57 106.917 -11.316 5.659 1.00 0.00 H new ATOM 0 HG SER A 57 106.285 -10.644 7.799 1.00 0.00 H new ATOM 856 N VAL A 58 107.259 -7.201 5.812 1.00 0.00 N ATOM 857 CA VAL A 58 108.227 -6.234 6.402 1.00 0.00 C ATOM 858 C VAL A 58 108.259 -6.370 7.930 1.00 0.00 C ATOM 859 O VAL A 58 107.315 -6.045 8.624 1.00 0.00 O ATOM 860 CB VAL A 58 107.826 -4.804 6.016 1.00 0.00 C ATOM 861 CG1 VAL A 58 107.475 -4.755 4.528 1.00 0.00 C ATOM 862 CG2 VAL A 58 106.612 -4.364 6.838 1.00 0.00 C ATOM 0 H VAL A 58 106.299 -6.865 5.730 1.00 0.00 H new ATOM 0 HA VAL A 58 109.222 -6.451 6.013 1.00 0.00 H new ATOM 0 HB VAL A 58 108.661 -4.133 6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 58 107.190 -3.739 4.255 1.00 0.00 H new ATOM 0 HG12 VAL A 58 108.340 -5.060 3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 58 106.644 -5.431 4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 58 106.333 -3.348 6.559 1.00 0.00 H new ATOM 0 HG22 VAL A 58 105.777 -5.037 6.642 1.00 0.00 H new ATOM 0 HG23 VAL A 58 106.861 -4.394 7.899 1.00 0.00 H new ATOM 872 N GLU A 59 109.362 -6.823 8.453 1.00 0.00 N ATOM 873 CA GLU A 59 109.507 -6.961 9.929 1.00 0.00 C ATOM 874 C GLU A 59 110.703 -6.112 10.367 1.00 0.00 C ATOM 875 O GLU A 59 111.771 -6.215 9.794 1.00 0.00 O ATOM 876 CB GLU A 59 109.769 -8.422 10.299 1.00 0.00 C ATOM 877 CG GLU A 59 108.451 -9.196 10.357 1.00 0.00 C ATOM 878 CD GLU A 59 107.568 -8.628 11.471 1.00 0.00 C ATOM 879 OE1 GLU A 59 108.116 -8.226 12.484 1.00 0.00 O ATOM 880 OE2 GLU A 59 106.362 -8.601 11.289 1.00 0.00 O ATOM 0 H GLU A 59 110.180 -7.107 7.914 1.00 0.00 H new ATOM 0 HA GLU A 59 108.593 -6.632 10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.434 -8.877 9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 59 110.274 -8.476 11.264 1.00 0.00 H new ATOM 0 HG2 GLU A 59 107.935 -9.127 9.399 1.00 0.00 H new ATOM 0 HG3 GLU A 59 108.646 -10.253 10.538 1.00 0.00 H new ATOM 887 N PRO A 60 110.548 -5.271 11.358 1.00 0.00 N ATOM 888 CA PRO A 60 111.662 -4.405 11.826 1.00 0.00 C ATOM 889 C PRO A 60 112.656 -5.164 12.697 1.00 0.00 C ATOM 890 O PRO A 60 112.340 -5.566 13.787 1.00 0.00 O ATOM 891 CB PRO A 60 110.948 -3.334 12.651 1.00 0.00 C ATOM 892 CG PRO A 60 109.727 -4.006 13.181 1.00 0.00 C ATOM 893 CD PRO A 60 109.317 -5.044 12.137 1.00 0.00 C ATOM 0 HA PRO A 60 112.249 -4.009 10.997 1.00 0.00 H new ATOM 0 HB2 PRO A 60 111.582 -2.971 13.460 1.00 0.00 H new ATOM 0 HB3 PRO A 60 110.689 -2.471 12.038 1.00 0.00 H new ATOM 0 HG2 PRO A 60 109.931 -4.480 14.141 1.00 0.00 H new ATOM 0 HG3 PRO A 60 108.927 -3.284 13.346 1.00 0.00 H new ATOM 0 HD2 PRO A 60 108.965 -5.964 12.605 1.00 0.00 H new ATOM 0 HD3 PRO A 60 108.507 -4.677 11.506 1.00 0.00 H new ATOM 901 N HIS A 61 113.862 -5.339 12.235 1.00 0.00 N ATOM 902 CA HIS A 61 114.877 -6.054 13.057 1.00 0.00 C ATOM 903 C HIS A 61 115.591 -5.021 13.929 1.00 0.00 C ATOM 904 O HIS A 61 116.114 -5.323 14.982 1.00 0.00 O ATOM 905 CB HIS A 61 115.885 -6.753 12.144 1.00 0.00 C ATOM 906 CG HIS A 61 116.555 -7.870 12.896 1.00 0.00 C ATOM 907 ND1 HIS A 61 117.326 -7.881 14.032 1.00 0.00 N flip ATOM 908 CD2 HIS A 61 116.460 -9.194 12.489 1.00 0.00 C flip ATOM 909 CE1 HIS A 61 117.703 -9.187 14.323 1.00 0.00 C flip ATOM 910 NE2 HIS A 61 117.158 -9.939 13.366 1.00 0.00 N flip ATOM 0 H HIS A 61 114.189 -5.018 11.324 1.00 0.00 H new ATOM 0 HA HIS A 61 114.397 -6.808 13.681 1.00 0.00 H new ATOM 0 HB2 HIS A 61 115.380 -7.146 11.262 1.00 0.00 H new ATOM 0 HB3 HIS A 61 116.630 -6.039 11.793 1.00 0.00 H new ATOM 0 HD1 HIS A 61 117.582 -7.058 14.578 1.00 0.00 H new ATOM 0 HD2 HIS A 61 115.924 -9.560 11.626 1.00 0.00 H new ATOM 0 HE1 HIS A 61 118.310 -9.522 15.151 1.00 0.00 H new ATOM 919 N ASP A 62 115.597 -3.793 13.489 1.00 0.00 N ATOM 920 CA ASP A 62 116.253 -2.707 14.266 1.00 0.00 C ATOM 921 C ASP A 62 115.883 -1.367 13.628 1.00 0.00 C ATOM 922 O ASP A 62 116.685 -0.462 13.552 1.00 0.00 O ATOM 923 CB ASP A 62 117.773 -2.896 14.237 1.00 0.00 C ATOM 924 CG ASP A 62 118.437 -1.823 15.101 1.00 0.00 C ATOM 925 OD1 ASP A 62 117.732 -0.942 15.563 1.00 0.00 O ATOM 926 OD2 ASP A 62 119.642 -1.897 15.283 1.00 0.00 O ATOM 0 H ASP A 62 115.169 -3.493 12.613 1.00 0.00 H new ATOM 0 HA ASP A 62 115.918 -2.732 15.303 1.00 0.00 H new ATOM 0 HB2 ASP A 62 118.034 -3.888 14.606 1.00 0.00 H new ATOM 0 HB3 ASP A 62 118.139 -2.831 13.212 1.00 0.00 H new ATOM 931 N CYS A 63 114.667 -1.247 13.161 1.00 0.00 N ATOM 932 CA CYS A 63 114.226 0.024 12.512 1.00 0.00 C ATOM 933 C CYS A 63 114.325 1.176 13.514 1.00 0.00 C ATOM 934 O CYS A 63 115.122 1.136 14.429 1.00 0.00 O ATOM 935 CB CYS A 63 112.781 -0.131 12.032 1.00 0.00 C ATOM 936 SG CYS A 63 112.705 -1.411 10.753 1.00 0.00 S ATOM 0 H CYS A 63 113.957 -1.978 13.202 1.00 0.00 H new ATOM 0 HA CYS A 63 114.868 0.243 11.659 1.00 0.00 H new ATOM 0 HB2 CYS A 63 112.135 -0.399 12.868 1.00 0.00 H new ATOM 0 HB3 CYS A 63 112.414 0.816 11.636 1.00 0.00 H new ATOM 941 N PHE A 64 113.538 2.214 13.344 1.00 0.00 N ATOM 942 CA PHE A 64 113.615 3.371 14.290 1.00 0.00 C ATOM 943 C PHE A 64 112.357 3.454 15.171 1.00 0.00 C ATOM 944 O PHE A 64 112.445 3.421 16.383 1.00 0.00 O ATOM 945 CB PHE A 64 113.786 4.669 13.500 1.00 0.00 C ATOM 946 CG PHE A 64 112.917 4.643 12.266 1.00 0.00 C ATOM 947 CD1 PHE A 64 113.331 3.930 11.133 1.00 0.00 C ATOM 948 CD2 PHE A 64 111.702 5.336 12.252 1.00 0.00 C ATOM 949 CE1 PHE A 64 112.526 3.911 9.988 1.00 0.00 C ATOM 950 CE2 PHE A 64 110.899 5.317 11.106 1.00 0.00 C ATOM 951 CZ PHE A 64 111.310 4.604 9.974 1.00 0.00 C ATOM 0 H PHE A 64 112.851 2.308 12.596 1.00 0.00 H new ATOM 0 HA PHE A 64 114.475 3.224 14.944 1.00 0.00 H new ATOM 0 HB2 PHE A 64 113.519 5.522 14.124 1.00 0.00 H new ATOM 0 HB3 PHE A 64 114.831 4.796 13.216 1.00 0.00 H new ATOM 0 HD1 PHE A 64 114.270 3.396 11.143 1.00 0.00 H new ATOM 0 HD2 PHE A 64 111.384 5.886 13.125 1.00 0.00 H new ATOM 0 HE1 PHE A 64 112.844 3.361 9.114 1.00 0.00 H new ATOM 0 HE2 PHE A 64 109.961 5.853 11.095 1.00 0.00 H new ATOM 0 HZ PHE A 64 110.689 4.589 9.090 1.00 0.00 H new ATOM 961 N VAL A 65 111.189 3.563 14.596 1.00 0.00 N ATOM 962 CA VAL A 65 109.964 3.654 15.452 1.00 0.00 C ATOM 963 C VAL A 65 110.032 2.574 16.534 1.00 0.00 C ATOM 964 O VAL A 65 110.286 2.855 17.692 1.00 0.00 O ATOM 965 CB VAL A 65 108.706 3.444 14.602 1.00 0.00 C ATOM 966 CG1 VAL A 65 107.474 3.877 15.401 1.00 0.00 C ATOM 967 CG2 VAL A 65 108.801 4.283 13.327 1.00 0.00 C ATOM 0 H VAL A 65 111.028 3.593 13.589 1.00 0.00 H new ATOM 0 HA VAL A 65 109.918 4.642 15.910 1.00 0.00 H new ATOM 0 HB VAL A 65 108.621 2.390 14.338 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.578 3.728 14.798 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.402 3.281 16.311 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.563 4.931 15.664 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.905 4.132 12.724 1.00 0.00 H new ATOM 0 HG22 VAL A 65 108.887 5.337 13.591 1.00 0.00 H new ATOM 0 HG23 VAL A 65 109.678 3.979 12.756 1.00 0.00 H new ATOM 977 N SER A 66 109.836 1.340 16.156 1.00 0.00 N ATOM 978 CA SER A 66 109.908 0.227 17.145 1.00 0.00 C ATOM 979 C SER A 66 110.670 -0.933 16.506 1.00 0.00 C ATOM 980 O SER A 66 110.418 -1.296 15.375 1.00 0.00 O ATOM 981 CB SER A 66 108.494 -0.225 17.517 1.00 0.00 C ATOM 982 OG SER A 66 108.573 -1.273 18.473 1.00 0.00 O ATOM 0 H SER A 66 109.628 1.054 15.199 1.00 0.00 H new ATOM 0 HA SER A 66 110.418 0.559 18.049 1.00 0.00 H new ATOM 0 HB2 SER A 66 107.927 0.612 17.924 1.00 0.00 H new ATOM 0 HB3 SER A 66 107.963 -0.567 16.628 1.00 0.00 H new ATOM 0 HG SER A 66 107.669 -1.564 18.715 1.00 0.00 H new ATOM 988 N ALA A 67 111.608 -1.512 17.204 1.00 0.00 N ATOM 989 CA ALA A 67 112.380 -2.632 16.598 1.00 0.00 C ATOM 990 C ALA A 67 113.287 -3.285 17.644 1.00 0.00 C ATOM 991 O ALA A 67 113.299 -2.911 18.798 1.00 0.00 O ATOM 992 CB ALA A 67 113.244 -2.080 15.463 1.00 0.00 C ATOM 0 H ALA A 67 111.871 -1.261 18.157 1.00 0.00 H new ATOM 0 HA ALA A 67 111.684 -3.380 16.219 1.00 0.00 H new ATOM 0 HB1 ALA A 67 113.814 -2.892 15.012 1.00 0.00 H new ATOM 0 HB2 ALA A 67 112.604 -1.623 14.708 1.00 0.00 H new ATOM 0 HB3 ALA A 67 113.930 -1.331 15.859 1.00 0.00 H new ATOM 998 N PHE A 68 114.041 -4.270 17.235 1.00 0.00 N ATOM 999 CA PHE A 68 114.948 -4.967 18.188 1.00 0.00 C ATOM 1000 C PHE A 68 116.326 -4.301 18.123 1.00 0.00 C ATOM 1001 O PHE A 68 116.883 -4.119 17.061 1.00 0.00 O ATOM 1002 CB PHE A 68 115.084 -6.441 17.793 1.00 0.00 C ATOM 1003 CG PHE A 68 113.719 -7.027 17.506 1.00 0.00 C ATOM 1004 CD1 PHE A 68 113.054 -6.690 16.323 1.00 0.00 C ATOM 1005 CD2 PHE A 68 113.126 -7.914 18.410 1.00 0.00 C ATOM 1006 CE1 PHE A 68 111.794 -7.241 16.043 1.00 0.00 C ATOM 1007 CE2 PHE A 68 111.866 -8.462 18.131 1.00 0.00 C ATOM 1008 CZ PHE A 68 111.202 -8.122 16.942 1.00 0.00 C ATOM 0 H PHE A 68 114.067 -4.622 16.278 1.00 0.00 H new ATOM 0 HA PHE A 68 114.541 -4.903 19.197 1.00 0.00 H new ATOM 0 HB2 PHE A 68 115.721 -6.533 16.913 1.00 0.00 H new ATOM 0 HB3 PHE A 68 115.567 -6.998 18.596 1.00 0.00 H new ATOM 0 HD1 PHE A 68 113.511 -6.005 15.624 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.639 -8.177 19.323 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.283 -6.981 15.128 1.00 0.00 H new ATOM 0 HE2 PHE A 68 111.407 -9.145 18.830 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.232 -8.544 16.725 1.00 0.00 H new ATOM 1018 N ASN A 69 116.874 -3.921 19.245 1.00 0.00 N ATOM 1019 CA ASN A 69 118.208 -3.253 19.230 1.00 0.00 C ATOM 1020 C ASN A 69 119.293 -4.275 18.890 1.00 0.00 C ATOM 1021 O ASN A 69 119.012 -5.411 18.570 1.00 0.00 O ATOM 1022 CB ASN A 69 118.493 -2.646 20.604 1.00 0.00 C ATOM 1023 CG ASN A 69 117.591 -1.430 20.823 1.00 0.00 C ATOM 1024 OD1 ASN A 69 117.045 -0.888 19.882 1.00 0.00 O ATOM 1025 ND2 ASN A 69 117.410 -0.977 22.032 1.00 0.00 N ATOM 0 H ASN A 69 116.458 -4.043 20.168 1.00 0.00 H new ATOM 0 HA ASN A 69 118.206 -2.464 18.477 1.00 0.00 H new ATOM 0 HB2 ASN A 69 118.318 -3.387 21.384 1.00 0.00 H new ATOM 0 HB3 ASN A 69 119.540 -2.352 20.673 1.00 0.00 H new ATOM 0 HD21 ASN A 69 116.810 -0.167 22.189 1.00 0.00 H new ATOM 0 HD22 ASN A 69 117.868 -1.432 22.821 1.00 0.00 H new ATOM 1032 N LEU A 70 120.534 -3.878 18.960 1.00 0.00 N ATOM 1033 CA LEU A 70 121.639 -4.825 18.643 1.00 0.00 C ATOM 1034 C LEU A 70 121.627 -5.966 19.660 1.00 0.00 C ATOM 1035 O LEU A 70 122.170 -7.027 19.423 1.00 0.00 O ATOM 1036 CB LEU A 70 122.982 -4.088 18.709 1.00 0.00 C ATOM 1037 CG LEU A 70 123.064 -3.066 17.571 1.00 0.00 C ATOM 1038 CD1 LEU A 70 124.285 -2.168 17.776 1.00 0.00 C ATOM 1039 CD2 LEU A 70 123.193 -3.796 16.229 1.00 0.00 C ATOM 0 H LEU A 70 120.830 -2.938 19.223 1.00 0.00 H new ATOM 0 HA LEU A 70 121.502 -5.228 17.640 1.00 0.00 H new ATOM 0 HB2 LEU A 70 123.086 -3.585 19.671 1.00 0.00 H new ATOM 0 HB3 LEU A 70 123.803 -4.800 18.631 1.00 0.00 H new ATOM 0 HG LEU A 70 122.159 -2.459 17.569 1.00 0.00 H new ATOM 0 HD11 LEU A 70 124.342 -1.441 16.966 1.00 0.00 H new ATOM 0 HD12 LEU A 70 124.196 -1.644 18.728 1.00 0.00 H new ATOM 0 HD13 LEU A 70 125.188 -2.778 17.781 1.00 0.00 H new ATOM 0 HD21 LEU A 70 123.251 -3.066 15.422 1.00 0.00 H new ATOM 0 HD22 LEU A 70 124.096 -4.406 16.232 1.00 0.00 H new ATOM 0 HD23 LEU A 70 122.324 -4.436 16.078 1.00 0.00 H new ATOM 1051 N SER A 71 121.003 -5.759 20.788 1.00 0.00 N ATOM 1052 CA SER A 71 120.943 -6.833 21.816 1.00 0.00 C ATOM 1053 C SER A 71 119.782 -7.772 21.485 1.00 0.00 C ATOM 1054 O SER A 71 119.626 -8.821 22.077 1.00 0.00 O ATOM 1055 CB SER A 71 120.712 -6.208 23.192 1.00 0.00 C ATOM 1056 OG SER A 71 119.430 -5.591 23.218 1.00 0.00 O ATOM 0 H SER A 71 120.532 -4.890 21.041 1.00 0.00 H new ATOM 0 HA SER A 71 121.880 -7.390 21.824 1.00 0.00 H new ATOM 0 HB2 SER A 71 120.777 -6.972 23.967 1.00 0.00 H new ATOM 0 HB3 SER A 71 121.487 -5.472 23.405 1.00 0.00 H new ATOM 0 HG SER A 71 119.340 -5.057 24.035 1.00 0.00 H new ATOM 1062 N GLY A 72 118.967 -7.398 20.535 1.00 0.00 N ATOM 1063 CA GLY A 72 117.814 -8.258 20.152 1.00 0.00 C ATOM 1064 C GLY A 72 116.632 -7.967 21.077 1.00 0.00 C ATOM 1065 O GLY A 72 115.717 -8.760 21.198 1.00 0.00 O ATOM 0 H GLY A 72 119.052 -6.530 20.007 1.00 0.00 H new ATOM 0 HA2 GLY A 72 117.534 -8.069 19.116 1.00 0.00 H new ATOM 0 HA3 GLY A 72 118.093 -9.310 20.220 1.00 0.00 H new ATOM 1069 N LYS A 73 116.639 -6.834 21.727 1.00 0.00 N ATOM 1070 CA LYS A 73 115.512 -6.488 22.642 1.00 0.00 C ATOM 1071 C LYS A 73 114.630 -5.430 21.972 1.00 0.00 C ATOM 1072 O LYS A 73 115.117 -4.525 21.326 1.00 0.00 O ATOM 1073 CB LYS A 73 116.075 -5.931 23.951 1.00 0.00 C ATOM 1074 CG LYS A 73 116.848 -7.031 24.687 1.00 0.00 C ATOM 1075 CD LYS A 73 117.464 -6.457 25.967 1.00 0.00 C ATOM 1076 CE LYS A 73 116.356 -6.178 26.986 1.00 0.00 C ATOM 1077 NZ LYS A 73 116.954 -6.007 28.339 1.00 0.00 N ATOM 0 H LYS A 73 117.377 -6.133 21.664 1.00 0.00 H new ATOM 0 HA LYS A 73 114.920 -7.378 22.853 1.00 0.00 H new ATOM 0 HB2 LYS A 73 116.732 -5.086 23.746 1.00 0.00 H new ATOM 0 HB3 LYS A 73 115.265 -5.560 24.578 1.00 0.00 H new ATOM 0 HG2 LYS A 73 116.181 -7.857 24.931 1.00 0.00 H new ATOM 0 HG3 LYS A 73 117.630 -7.433 24.043 1.00 0.00 H new ATOM 0 HD2 LYS A 73 118.186 -7.160 26.382 1.00 0.00 H new ATOM 0 HD3 LYS A 73 118.006 -5.538 25.742 1.00 0.00 H new ATOM 0 HE2 LYS A 73 115.806 -5.280 26.704 1.00 0.00 H new ATOM 0 HE3 LYS A 73 115.640 -7.000 26.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 116.200 -5.818 29.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 117.460 -6.875 28.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 117.620 -5.209 28.326 1.00 0.00 H new ATOM 1091 N ASN A 74 113.335 -5.536 22.120 1.00 0.00 N ATOM 1092 CA ASN A 74 112.425 -4.539 21.481 1.00 0.00 C ATOM 1093 C ASN A 74 112.480 -3.211 22.241 1.00 0.00 C ATOM 1094 O ASN A 74 112.231 -3.152 23.430 1.00 0.00 O ATOM 1095 CB ASN A 74 110.991 -5.074 21.490 1.00 0.00 C ATOM 1096 CG ASN A 74 110.170 -4.342 20.426 1.00 0.00 C ATOM 1097 OD1 ASN A 74 110.675 -4.014 19.371 1.00 0.00 O ATOM 1098 ND2 ASN A 74 108.914 -4.072 20.659 1.00 0.00 N ATOM 0 H ASN A 74 112.869 -6.269 22.655 1.00 0.00 H new ATOM 0 HA ASN A 74 112.747 -4.373 20.453 1.00 0.00 H new ATOM 0 HB2 ASN A 74 110.990 -6.146 21.293 1.00 0.00 H new ATOM 0 HB3 ASN A 74 110.543 -4.930 22.473 1.00 0.00 H new ATOM 0 HD21 ASN A 74 108.358 -3.586 19.955 1.00 0.00 H new ATOM 0 HD22 ASN A 74 108.489 -4.347 21.545 1.00 0.00 H new ATOM 1105 N GLU A 75 112.812 -2.143 21.561 1.00 0.00 N ATOM 1106 CA GLU A 75 112.886 -0.818 22.239 1.00 0.00 C ATOM 1107 C GLU A 75 112.678 0.307 21.214 1.00 0.00 C ATOM 1108 O GLU A 75 113.280 0.315 20.159 1.00 0.00 O ATOM 1109 CB GLU A 75 114.267 -0.656 22.889 1.00 0.00 C ATOM 1110 CG GLU A 75 114.343 0.687 23.622 1.00 0.00 C ATOM 1111 CD GLU A 75 113.366 0.682 24.799 1.00 0.00 C ATOM 1112 OE1 GLU A 75 112.997 -0.397 25.232 1.00 0.00 O ATOM 1113 OE2 GLU A 75 113.002 1.757 25.246 1.00 0.00 O ATOM 0 H GLU A 75 113.035 -2.134 20.566 1.00 0.00 H new ATOM 0 HA GLU A 75 112.108 -0.762 23.000 1.00 0.00 H new ATOM 0 HB2 GLU A 75 114.448 -1.473 23.588 1.00 0.00 H new ATOM 0 HB3 GLU A 75 115.045 -0.710 22.128 1.00 0.00 H new ATOM 0 HG2 GLU A 75 115.358 0.862 23.979 1.00 0.00 H new ATOM 0 HG3 GLU A 75 114.101 1.501 22.938 1.00 0.00 H new ATOM 1120 N ASN A 76 111.830 1.249 21.523 1.00 0.00 N ATOM 1121 CA ASN A 76 111.581 2.366 20.561 1.00 0.00 C ATOM 1122 C ASN A 76 112.884 3.135 20.336 1.00 0.00 C ATOM 1123 O ASN A 76 113.700 3.263 21.226 1.00 0.00 O ATOM 1124 CB ASN A 76 110.523 3.310 21.141 1.00 0.00 C ATOM 1125 CG ASN A 76 109.141 2.653 21.058 1.00 0.00 C ATOM 1126 OD1 ASN A 76 108.933 1.579 21.586 1.00 0.00 O ATOM 1127 ND2 ASN A 76 108.178 3.259 20.415 1.00 0.00 N ATOM 0 H ASN A 76 111.301 1.296 22.394 1.00 0.00 H new ATOM 0 HA ASN A 76 111.226 1.963 19.613 1.00 0.00 H new ATOM 0 HB2 ASN A 76 110.762 3.546 22.178 1.00 0.00 H new ATOM 0 HB3 ASN A 76 110.522 4.252 20.592 1.00 0.00 H new ATOM 0 HD21 ASN A 76 107.254 2.830 20.357 1.00 0.00 H new ATOM 0 HD22 ASN A 76 108.350 4.161 19.971 1.00 0.00 H new ATOM 1134 N LEU A 77 113.091 3.642 19.148 1.00 0.00 N ATOM 1135 CA LEU A 77 114.350 4.400 18.868 1.00 0.00 C ATOM 1136 C LEU A 77 114.069 5.910 18.928 1.00 0.00 C ATOM 1137 O LEU A 77 114.913 6.723 18.608 1.00 0.00 O ATOM 1138 CB LEU A 77 114.858 4.038 17.470 1.00 0.00 C ATOM 1139 CG LEU A 77 116.360 4.329 17.361 1.00 0.00 C ATOM 1140 CD1 LEU A 77 117.156 3.174 17.979 1.00 0.00 C ATOM 1141 CD2 LEU A 77 116.746 4.475 15.887 1.00 0.00 C ATOM 0 H LEU A 77 112.446 3.565 18.362 1.00 0.00 H new ATOM 0 HA LEU A 77 115.102 4.140 19.614 1.00 0.00 H new ATOM 0 HB2 LEU A 77 114.669 2.984 17.268 1.00 0.00 H new ATOM 0 HB3 LEU A 77 114.314 4.609 16.718 1.00 0.00 H new ATOM 0 HG LEU A 77 116.586 5.253 17.893 1.00 0.00 H new ATOM 0 HD11 LEU A 77 118.223 3.384 17.900 1.00 0.00 H new ATOM 0 HD12 LEU A 77 116.884 3.066 19.029 1.00 0.00 H new ATOM 0 HD13 LEU A 77 116.928 2.250 17.448 1.00 0.00 H new ATOM 0 HD21 LEU A 77 117.813 4.682 15.809 1.00 0.00 H new ATOM 0 HD22 LEU A 77 116.516 3.551 15.357 1.00 0.00 H new ATOM 0 HD23 LEU A 77 116.184 5.297 15.443 1.00 0.00 H new ATOM 1153 N GLU A 78 112.882 6.293 19.315 1.00 0.00 N ATOM 1154 CA GLU A 78 112.555 7.747 19.372 1.00 0.00 C ATOM 1155 C GLU A 78 113.276 8.402 20.554 1.00 0.00 C ATOM 1156 O GLU A 78 113.741 9.521 20.466 1.00 0.00 O ATOM 1157 CB GLU A 78 111.040 7.935 19.509 1.00 0.00 C ATOM 1158 CG GLU A 78 110.555 7.299 20.816 1.00 0.00 C ATOM 1159 CD GLU A 78 110.508 8.364 21.915 1.00 0.00 C ATOM 1160 OE1 GLU A 78 111.262 9.318 21.819 1.00 0.00 O ATOM 1161 OE2 GLU A 78 109.724 8.205 22.834 1.00 0.00 O ATOM 0 H GLU A 78 112.128 5.665 19.593 1.00 0.00 H new ATOM 0 HA GLU A 78 112.889 8.223 18.450 1.00 0.00 H new ATOM 0 HB2 GLU A 78 110.793 8.997 19.497 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.529 7.479 18.661 1.00 0.00 H new ATOM 0 HG2 GLU A 78 109.566 6.862 20.675 1.00 0.00 H new ATOM 0 HG3 GLU A 78 111.223 6.489 21.108 1.00 0.00 H new ATOM 1168 N ASN A 79 113.362 7.720 21.662 1.00 0.00 N ATOM 1169 CA ASN A 79 114.045 8.316 22.844 1.00 0.00 C ATOM 1170 C ASN A 79 115.495 8.632 22.479 1.00 0.00 C ATOM 1171 O ASN A 79 116.169 9.382 23.156 1.00 0.00 O ATOM 1172 CB ASN A 79 114.016 7.318 24.006 1.00 0.00 C ATOM 1173 CG ASN A 79 112.574 7.135 24.487 1.00 0.00 C ATOM 1174 OD1 ASN A 79 111.800 8.072 24.496 1.00 0.00 O ATOM 1175 ND2 ASN A 79 112.176 5.958 24.888 1.00 0.00 N ATOM 0 H ASN A 79 112.991 6.780 21.800 1.00 0.00 H new ATOM 0 HA ASN A 79 113.534 9.232 23.141 1.00 0.00 H new ATOM 0 HB2 ASN A 79 114.428 6.361 23.687 1.00 0.00 H new ATOM 0 HB3 ASN A 79 114.640 7.678 24.824 1.00 0.00 H new ATOM 0 HD21 ASN A 79 111.217 5.826 25.208 1.00 0.00 H new ATOM 0 HD22 ASN A 79 112.824 5.171 24.881 1.00 0.00 H new ATOM 1182 N LYS A 80 115.976 8.072 21.401 1.00 0.00 N ATOM 1183 CA LYS A 80 117.380 8.341 20.976 1.00 0.00 C ATOM 1184 C LYS A 80 117.375 9.335 19.814 1.00 0.00 C ATOM 1185 O LYS A 80 118.251 10.169 19.693 1.00 0.00 O ATOM 1186 CB LYS A 80 118.031 7.028 20.528 1.00 0.00 C ATOM 1187 CG LYS A 80 119.321 7.327 19.759 1.00 0.00 C ATOM 1188 CD LYS A 80 120.244 6.107 19.814 1.00 0.00 C ATOM 1189 CE LYS A 80 119.625 4.956 19.021 1.00 0.00 C ATOM 1190 NZ LYS A 80 120.614 3.849 18.892 1.00 0.00 N ATOM 0 H LYS A 80 115.455 7.438 20.795 1.00 0.00 H new ATOM 0 HA LYS A 80 117.944 8.761 21.809 1.00 0.00 H new ATOM 0 HB2 LYS A 80 118.249 6.405 21.395 1.00 0.00 H new ATOM 0 HB3 LYS A 80 117.342 6.466 19.897 1.00 0.00 H new ATOM 0 HG2 LYS A 80 119.090 7.575 18.723 1.00 0.00 H new ATOM 0 HG3 LYS A 80 119.821 8.194 20.190 1.00 0.00 H new ATOM 0 HD2 LYS A 80 121.222 6.360 19.403 1.00 0.00 H new ATOM 0 HD3 LYS A 80 120.402 5.805 20.849 1.00 0.00 H new ATOM 0 HE2 LYS A 80 118.726 4.597 19.523 1.00 0.00 H new ATOM 0 HE3 LYS A 80 119.322 5.303 18.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 120.373 3.263 18.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 121.567 4.247 18.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 120.593 3.263 19.751 1.00 0.00 H new ATOM 1204 N LEU A 81 116.393 9.251 18.960 1.00 0.00 N ATOM 1205 CA LEU A 81 116.315 10.185 17.801 1.00 0.00 C ATOM 1206 C LEU A 81 114.900 10.762 17.709 1.00 0.00 C ATOM 1207 O LEU A 81 113.934 10.038 17.607 1.00 0.00 O ATOM 1208 CB LEU A 81 116.638 9.417 16.517 1.00 0.00 C ATOM 1209 CG LEU A 81 116.706 10.384 15.333 1.00 0.00 C ATOM 1210 CD1 LEU A 81 117.871 11.359 15.524 1.00 0.00 C ATOM 1211 CD2 LEU A 81 116.915 9.587 14.044 1.00 0.00 C ATOM 0 H LEU A 81 115.635 8.570 19.016 1.00 0.00 H new ATOM 0 HA LEU A 81 117.030 10.998 17.932 1.00 0.00 H new ATOM 0 HB2 LEU A 81 117.588 8.894 16.625 1.00 0.00 H new ATOM 0 HB3 LEU A 81 115.876 8.659 16.335 1.00 0.00 H new ATOM 0 HG LEU A 81 115.775 10.947 15.272 1.00 0.00 H new ATOM 0 HD11 LEU A 81 117.914 12.045 14.678 1.00 0.00 H new ATOM 0 HD12 LEU A 81 117.724 11.926 16.443 1.00 0.00 H new ATOM 0 HD13 LEU A 81 118.805 10.801 15.587 1.00 0.00 H new ATOM 0 HD21 LEU A 81 116.964 10.271 13.197 1.00 0.00 H new ATOM 0 HD22 LEU A 81 117.846 9.025 14.111 1.00 0.00 H new ATOM 0 HD23 LEU A 81 116.083 8.896 13.904 1.00 0.00 H new ATOM 1223 N LYS A 82 114.766 12.056 17.734 1.00 0.00 N ATOM 1224 CA LYS A 82 113.406 12.664 17.636 1.00 0.00 C ATOM 1225 C LYS A 82 112.985 12.726 16.163 1.00 0.00 C ATOM 1226 O LYS A 82 113.138 13.730 15.501 1.00 0.00 O ATOM 1227 CB LYS A 82 113.436 14.075 18.230 1.00 0.00 C ATOM 1228 CG LYS A 82 114.540 14.898 17.554 1.00 0.00 C ATOM 1229 CD LYS A 82 115.021 15.992 18.506 1.00 0.00 C ATOM 1230 CE LYS A 82 116.100 15.426 19.432 1.00 0.00 C ATOM 1231 NZ LYS A 82 116.682 16.527 20.248 1.00 0.00 N ATOM 0 H LYS A 82 115.535 12.721 17.818 1.00 0.00 H new ATOM 0 HA LYS A 82 112.689 12.058 18.190 1.00 0.00 H new ATOM 0 HB2 LYS A 82 112.470 14.560 18.089 1.00 0.00 H new ATOM 0 HB3 LYS A 82 113.613 14.024 19.304 1.00 0.00 H new ATOM 0 HG2 LYS A 82 115.372 14.251 17.278 1.00 0.00 H new ATOM 0 HG3 LYS A 82 114.163 15.343 16.633 1.00 0.00 H new ATOM 0 HD2 LYS A 82 115.419 16.833 17.939 1.00 0.00 H new ATOM 0 HD3 LYS A 82 114.185 16.371 19.094 1.00 0.00 H new ATOM 0 HE2 LYS A 82 115.672 14.664 20.083 1.00 0.00 H new ATOM 0 HE3 LYS A 82 116.881 14.942 18.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 117.415 16.142 20.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 117.104 17.239 19.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 115.933 16.969 20.819 1.00 0.00 H new ATOM 1245 N LEU A 83 112.457 11.653 15.645 1.00 0.00 N ATOM 1246 CA LEU A 83 112.032 11.642 14.216 1.00 0.00 C ATOM 1247 C LEU A 83 110.708 12.393 14.054 1.00 0.00 C ATOM 1248 O LEU A 83 109.822 12.297 14.877 1.00 0.00 O ATOM 1249 CB LEU A 83 111.852 10.196 13.749 1.00 0.00 C ATOM 1250 CG LEU A 83 113.215 9.504 13.666 1.00 0.00 C ATOM 1251 CD1 LEU A 83 113.011 8.011 13.398 1.00 0.00 C ATOM 1252 CD2 LEU A 83 114.040 10.117 12.528 1.00 0.00 C ATOM 0 H LEU A 83 112.301 10.781 16.150 1.00 0.00 H new ATOM 0 HA LEU A 83 112.798 12.133 13.615 1.00 0.00 H new ATOM 0 HB2 LEU A 83 111.203 9.659 14.441 1.00 0.00 H new ATOM 0 HB3 LEU A 83 111.364 10.177 12.774 1.00 0.00 H new ATOM 0 HG LEU A 83 113.745 9.639 14.609 1.00 0.00 H new ATOM 0 HD11 LEU A 83 113.980 7.516 13.338 1.00 0.00 H new ATOM 0 HD12 LEU A 83 112.429 7.572 14.208 1.00 0.00 H new ATOM 0 HD13 LEU A 83 112.478 7.880 12.456 1.00 0.00 H new ATOM 0 HD21 LEU A 83 115.009 9.621 12.473 1.00 0.00 H new ATOM 0 HD22 LEU A 83 113.511 9.986 11.584 1.00 0.00 H new ATOM 0 HD23 LEU A 83 114.187 11.180 12.717 1.00 0.00 H new ATOM 1264 N THR A 84 110.573 13.139 12.988 1.00 0.00 N ATOM 1265 CA THR A 84 109.306 13.898 12.759 1.00 0.00 C ATOM 1266 C THR A 84 108.783 13.597 11.352 1.00 0.00 C ATOM 1267 O THR A 84 109.524 13.189 10.482 1.00 0.00 O ATOM 1268 CB THR A 84 109.579 15.401 12.887 1.00 0.00 C ATOM 1269 OG1 THR A 84 110.470 15.807 11.858 1.00 0.00 O ATOM 1270 CG2 THR A 84 110.203 15.697 14.251 1.00 0.00 C ATOM 0 H THR A 84 111.284 13.256 12.266 1.00 0.00 H new ATOM 0 HA THR A 84 108.564 13.599 13.499 1.00 0.00 H new ATOM 0 HB THR A 84 108.641 15.949 12.795 1.00 0.00 H new ATOM 0 HG1 THR A 84 110.645 16.768 11.937 1.00 0.00 H new ATOM 0 HG21 THR A 84 110.396 16.766 14.339 1.00 0.00 H new ATOM 0 HG22 THR A 84 109.518 15.386 15.040 1.00 0.00 H new ATOM 0 HG23 THR A 84 111.141 15.150 14.348 1.00 0.00 H new ATOM 1278 N ASN A 85 107.512 13.797 11.123 1.00 0.00 N ATOM 1279 CA ASN A 85 106.947 13.524 9.769 1.00 0.00 C ATOM 1280 C ASN A 85 107.272 12.088 9.356 1.00 0.00 C ATOM 1281 O ASN A 85 107.775 11.839 8.277 1.00 0.00 O ATOM 1282 CB ASN A 85 107.553 14.499 8.757 1.00 0.00 C ATOM 1283 CG ASN A 85 107.048 15.915 9.043 1.00 0.00 C ATOM 1284 OD1 ASN A 85 106.030 16.090 9.682 1.00 0.00 O ATOM 1285 ND2 ASN A 85 107.723 16.938 8.596 1.00 0.00 N ATOM 0 H ASN A 85 106.842 14.137 11.813 1.00 0.00 H new ATOM 0 HA ASN A 85 105.865 13.654 9.795 1.00 0.00 H new ATOM 0 HB2 ASN A 85 108.641 14.471 8.816 1.00 0.00 H new ATOM 0 HB3 ASN A 85 107.281 14.203 7.744 1.00 0.00 H new ATOM 0 HD21 ASN A 85 107.396 17.886 8.783 1.00 0.00 H new ATOM 0 HD22 ASN A 85 108.578 16.790 8.060 1.00 0.00 H new ATOM 1292 N ILE A 86 106.997 11.140 10.209 1.00 0.00 N ATOM 1293 CA ILE A 86 107.298 9.717 9.878 1.00 0.00 C ATOM 1294 C ILE A 86 106.221 9.163 8.937 1.00 0.00 C ATOM 1295 O ILE A 86 105.037 9.329 9.163 1.00 0.00 O ATOM 1296 CB ILE A 86 107.327 8.903 11.172 1.00 0.00 C ATOM 1297 CG1 ILE A 86 108.442 9.437 12.075 1.00 0.00 C ATOM 1298 CG2 ILE A 86 107.599 7.435 10.846 1.00 0.00 C ATOM 1299 CD1 ILE A 86 108.324 8.806 13.463 1.00 0.00 C ATOM 0 H ILE A 86 106.575 11.290 11.125 1.00 0.00 H new ATOM 0 HA ILE A 86 108.266 9.651 9.381 1.00 0.00 H new ATOM 0 HB ILE A 86 106.367 8.989 11.680 1.00 0.00 H new ATOM 0 HG12 ILE A 86 109.416 9.208 11.642 1.00 0.00 H new ATOM 0 HG13 ILE A 86 108.374 10.522 12.151 1.00 0.00 H new ATOM 0 HG21 ILE A 86 107.620 6.855 11.769 1.00 0.00 H new ATOM 0 HG22 ILE A 86 106.811 7.055 10.196 1.00 0.00 H new ATOM 0 HG23 ILE A 86 108.561 7.347 10.340 1.00 0.00 H new ATOM 0 HD11 ILE A 86 109.118 9.187 14.105 1.00 0.00 H new ATOM 0 HD12 ILE A 86 107.356 9.058 13.896 1.00 0.00 H new ATOM 0 HD13 ILE A 86 108.414 7.723 13.379 1.00 0.00 H new ATOM 1311 N ILE A 87 106.629 8.504 7.881 1.00 0.00 N ATOM 1312 CA ILE A 87 105.642 7.929 6.915 1.00 0.00 C ATOM 1313 C ILE A 87 105.760 6.403 6.916 1.00 0.00 C ATOM 1314 O ILE A 87 106.794 5.859 6.588 1.00 0.00 O ATOM 1315 CB ILE A 87 105.955 8.447 5.506 1.00 0.00 C ATOM 1316 CG1 ILE A 87 106.310 9.938 5.562 1.00 0.00 C ATOM 1317 CG2 ILE A 87 104.739 8.245 4.601 1.00 0.00 C ATOM 1318 CD1 ILE A 87 105.130 10.738 6.119 1.00 0.00 C ATOM 0 H ILE A 87 107.608 8.339 7.645 1.00 0.00 H new ATOM 0 HA ILE A 87 104.634 8.223 7.207 1.00 0.00 H new ATOM 0 HB ILE A 87 106.803 7.892 5.104 1.00 0.00 H new ATOM 0 HG12 ILE A 87 107.189 10.087 6.189 1.00 0.00 H new ATOM 0 HG13 ILE A 87 106.565 10.297 4.565 1.00 0.00 H new ATOM 0 HG21 ILE A 87 104.965 8.614 3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 87 104.496 7.184 4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 87 103.889 8.793 5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 87 105.392 11.795 6.155 1.00 0.00 H new ATOM 0 HD12 ILE A 87 104.261 10.601 5.475 1.00 0.00 H new ATOM 0 HD13 ILE A 87 104.895 10.388 7.124 1.00 0.00 H new ATOM 1330 N MET A 88 104.711 5.703 7.284 1.00 0.00 N ATOM 1331 CA MET A 88 104.783 4.207 7.300 1.00 0.00 C ATOM 1332 C MET A 88 103.656 3.624 6.442 1.00 0.00 C ATOM 1333 O MET A 88 102.497 3.678 6.802 1.00 0.00 O ATOM 1334 CB MET A 88 104.637 3.702 8.738 1.00 0.00 C ATOM 1335 CG MET A 88 105.501 4.554 9.669 1.00 0.00 C ATOM 1336 SD MET A 88 105.289 3.992 11.378 1.00 0.00 S ATOM 1337 CE MET A 88 106.261 2.470 11.248 1.00 0.00 C ATOM 0 H MET A 88 103.816 6.099 7.571 1.00 0.00 H new ATOM 0 HA MET A 88 105.745 3.891 6.897 1.00 0.00 H new ATOM 0 HB2 MET A 88 103.593 3.751 9.047 1.00 0.00 H new ATOM 0 HB3 MET A 88 104.939 2.657 8.800 1.00 0.00 H new ATOM 0 HG2 MET A 88 106.549 4.480 9.378 1.00 0.00 H new ATOM 0 HG3 MET A 88 105.220 5.604 9.583 1.00 0.00 H new ATOM 0 HE1 MET A 88 106.578 2.155 12.242 1.00 0.00 H new ATOM 0 HE2 MET A 88 105.652 1.687 10.796 1.00 0.00 H new ATOM 0 HE3 MET A 88 107.139 2.651 10.627 1.00 0.00 H new ATOM 1347 N ASP A 89 103.993 3.053 5.313 1.00 0.00 N ATOM 1348 CA ASP A 89 102.948 2.446 4.430 1.00 0.00 C ATOM 1349 C ASP A 89 103.157 0.929 4.387 1.00 0.00 C ATOM 1350 O ASP A 89 104.029 0.433 3.700 1.00 0.00 O ATOM 1351 CB ASP A 89 103.078 3.021 3.020 1.00 0.00 C ATOM 1352 CG ASP A 89 102.836 4.532 3.057 1.00 0.00 C ATOM 1353 OD1 ASP A 89 103.580 5.214 3.743 1.00 0.00 O ATOM 1354 OD2 ASP A 89 101.912 4.980 2.399 1.00 0.00 O ATOM 0 H ASP A 89 104.948 2.980 4.963 1.00 0.00 H new ATOM 0 HA ASP A 89 101.955 2.671 4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 89 104.070 2.811 2.621 1.00 0.00 H new ATOM 0 HB3 ASP A 89 102.359 2.544 2.354 1.00 0.00 H new ATOM 1359 N HIS A 90 102.370 0.185 5.116 1.00 0.00 N ATOM 1360 CA HIS A 90 102.528 -1.297 5.122 1.00 0.00 C ATOM 1361 C HIS A 90 102.094 -1.892 3.777 1.00 0.00 C ATOM 1362 O HIS A 90 102.696 -2.822 3.280 1.00 0.00 O ATOM 1363 CB HIS A 90 101.680 -1.895 6.244 1.00 0.00 C ATOM 1364 CG HIS A 90 102.293 -1.543 7.572 1.00 0.00 C ATOM 1365 ND1 HIS A 90 101.706 -1.908 8.776 1.00 0.00 N ATOM 1366 CD2 HIS A 90 103.436 -0.857 7.904 1.00 0.00 C ATOM 1367 CE1 HIS A 90 102.492 -1.444 9.767 1.00 0.00 C ATOM 1368 NE2 HIS A 90 103.555 -0.799 9.287 1.00 0.00 N ATOM 0 H HIS A 90 101.621 0.542 5.710 1.00 0.00 H new ATOM 0 HA HIS A 90 103.579 -1.536 5.286 1.00 0.00 H new ATOM 0 HB2 HIS A 90 100.661 -1.513 6.188 1.00 0.00 H new ATOM 0 HB3 HIS A 90 101.621 -2.978 6.133 1.00 0.00 H new ATOM 0 HD2 HIS A 90 104.134 -0.429 7.199 1.00 0.00 H new ATOM 0 HE1 HIS A 90 102.286 -1.578 10.819 1.00 0.00 H new ATOM 0 HE2 HIS A 90 104.301 -0.355 9.823 1.00 0.00 H new ATOM 1377 N TYR A 91 101.051 -1.375 3.187 1.00 0.00 N ATOM 1378 CA TYR A 91 100.589 -1.930 1.882 1.00 0.00 C ATOM 1379 C TYR A 91 101.703 -1.786 0.842 1.00 0.00 C ATOM 1380 O TYR A 91 101.997 -2.707 0.104 1.00 0.00 O ATOM 1381 CB TYR A 91 99.346 -1.178 1.407 1.00 0.00 C ATOM 1382 CG TYR A 91 98.949 -1.685 0.040 1.00 0.00 C ATOM 1383 CD1 TYR A 91 98.266 -2.901 -0.086 1.00 0.00 C ATOM 1384 CD2 TYR A 91 99.268 -0.940 -1.101 1.00 0.00 C ATOM 1385 CE1 TYR A 91 97.902 -3.372 -1.353 1.00 0.00 C ATOM 1386 CE2 TYR A 91 98.905 -1.410 -2.368 1.00 0.00 C ATOM 1387 CZ TYR A 91 98.222 -2.626 -2.495 1.00 0.00 C ATOM 1388 OH TYR A 91 97.864 -3.090 -3.745 1.00 0.00 O ATOM 0 H TYR A 91 100.501 -0.596 3.549 1.00 0.00 H new ATOM 0 HA TYR A 91 100.342 -2.984 2.009 1.00 0.00 H new ATOM 0 HB2 TYR A 91 98.528 -1.322 2.113 1.00 0.00 H new ATOM 0 HB3 TYR A 91 99.548 -0.108 1.366 1.00 0.00 H new ATOM 0 HD1 TYR A 91 98.020 -3.476 0.795 1.00 0.00 H new ATOM 0 HD2 TYR A 91 99.794 -0.002 -1.004 1.00 0.00 H new ATOM 0 HE1 TYR A 91 97.375 -4.310 -1.450 1.00 0.00 H new ATOM 0 HE2 TYR A 91 99.152 -0.835 -3.248 1.00 0.00 H new ATOM 0 HH TYR A 91 98.160 -2.452 -4.428 1.00 0.00 H new ATOM 1398 N ASN A 92 102.328 -0.642 0.777 1.00 0.00 N ATOM 1399 CA ASN A 92 103.423 -0.453 -0.216 1.00 0.00 C ATOM 1400 C ASN A 92 104.737 -0.948 0.387 1.00 0.00 C ATOM 1401 O ASN A 92 105.751 -1.018 -0.279 1.00 0.00 O ATOM 1402 CB ASN A 92 103.543 1.031 -0.571 1.00 0.00 C ATOM 1403 CG ASN A 92 102.393 1.429 -1.496 1.00 0.00 C ATOM 1404 OD1 ASN A 92 101.764 0.584 -2.101 1.00 0.00 O ATOM 1405 ND2 ASN A 92 102.089 2.691 -1.636 1.00 0.00 N ATOM 0 H ASN A 92 102.129 0.167 1.366 1.00 0.00 H new ATOM 0 HA ASN A 92 103.201 -1.019 -1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 92 103.520 1.636 0.336 1.00 0.00 H new ATOM 0 HB3 ASN A 92 104.499 1.223 -1.058 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.324 2.966 -2.253 1.00 0.00 H new ATOM 0 HD22 ASN A 92 102.616 3.402 -1.129 1.00 0.00 H new ATOM 1412 N ASN A 93 104.720 -1.314 1.642 1.00 0.00 N ATOM 1413 CA ASN A 93 105.956 -1.833 2.290 1.00 0.00 C ATOM 1414 C ASN A 93 107.098 -0.829 2.131 1.00 0.00 C ATOM 1415 O ASN A 93 108.198 -1.186 1.754 1.00 0.00 O ATOM 1416 CB ASN A 93 106.347 -3.164 1.643 1.00 0.00 C ATOM 1417 CG ASN A 93 105.333 -4.242 2.036 1.00 0.00 C ATOM 1418 OD1 ASN A 93 104.610 -4.090 3.001 1.00 0.00 O ATOM 1419 ND2 ASN A 93 105.247 -5.333 1.323 1.00 0.00 N ATOM 0 H ASN A 93 103.899 -1.275 2.246 1.00 0.00 H new ATOM 0 HA ASN A 93 105.766 -1.983 3.353 1.00 0.00 H new ATOM 0 HB2 ASN A 93 106.378 -3.058 0.559 1.00 0.00 H new ATOM 0 HB3 ASN A 93 107.347 -3.456 1.964 1.00 0.00 H new ATOM 0 HD21 ASN A 93 104.574 -6.056 1.576 1.00 0.00 H new ATOM 0 HD22 ASN A 93 105.853 -5.462 0.513 1.00 0.00 H new ATOM 1426 N THR A 94 106.857 0.427 2.414 1.00 0.00 N ATOM 1427 CA THR A 94 107.938 1.448 2.278 1.00 0.00 C ATOM 1428 C THR A 94 107.955 2.341 3.524 1.00 0.00 C ATOM 1429 O THR A 94 106.923 2.713 4.047 1.00 0.00 O ATOM 1430 CB THR A 94 107.683 2.306 1.037 1.00 0.00 C ATOM 1431 OG1 THR A 94 108.567 3.417 1.042 1.00 0.00 O ATOM 1432 CG2 THR A 94 106.238 2.802 1.043 1.00 0.00 C ATOM 0 H THR A 94 105.958 0.788 2.733 1.00 0.00 H new ATOM 0 HA THR A 94 108.900 0.946 2.177 1.00 0.00 H new ATOM 0 HB THR A 94 107.854 1.708 0.142 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.220 4.108 1.644 1.00 0.00 H new ATOM 0 HG21 THR A 94 106.059 3.413 0.158 1.00 0.00 H new ATOM 0 HG22 THR A 94 105.560 1.948 1.038 1.00 0.00 H new ATOM 0 HG23 THR A 94 106.062 3.399 1.938 1.00 0.00 H new ATOM 1440 N PHE A 95 109.125 2.677 4.005 1.00 0.00 N ATOM 1441 CA PHE A 95 109.210 3.539 5.226 1.00 0.00 C ATOM 1442 C PHE A 95 110.128 4.736 4.961 1.00 0.00 C ATOM 1443 O PHE A 95 111.156 4.612 4.326 1.00 0.00 O ATOM 1444 CB PHE A 95 109.785 2.710 6.379 1.00 0.00 C ATOM 1445 CG PHE A 95 108.845 1.573 6.701 1.00 0.00 C ATOM 1446 CD1 PHE A 95 108.938 0.368 5.994 1.00 0.00 C ATOM 1447 CD2 PHE A 95 107.882 1.722 7.705 1.00 0.00 C ATOM 1448 CE1 PHE A 95 108.066 -0.688 6.291 1.00 0.00 C ATOM 1449 CE2 PHE A 95 107.011 0.667 8.003 1.00 0.00 C ATOM 1450 CZ PHE A 95 107.103 -0.537 7.295 1.00 0.00 C ATOM 0 H PHE A 95 110.021 2.394 3.609 1.00 0.00 H new ATOM 0 HA PHE A 95 108.215 3.903 5.482 1.00 0.00 H new ATOM 0 HB2 PHE A 95 110.765 2.319 6.106 1.00 0.00 H new ATOM 0 HB3 PHE A 95 109.926 3.339 7.258 1.00 0.00 H new ATOM 0 HD1 PHE A 95 109.682 0.252 5.220 1.00 0.00 H new ATOM 0 HD2 PHE A 95 107.810 2.651 8.250 1.00 0.00 H new ATOM 0 HE1 PHE A 95 108.137 -1.617 5.746 1.00 0.00 H new ATOM 0 HE2 PHE A 95 106.269 0.782 8.779 1.00 0.00 H new ATOM 0 HZ PHE A 95 106.430 -1.350 7.524 1.00 0.00 H new ATOM 1460 N TYR A 96 109.765 5.899 5.449 1.00 0.00 N ATOM 1461 CA TYR A 96 110.617 7.107 5.232 1.00 0.00 C ATOM 1462 C TYR A 96 110.718 7.896 6.542 1.00 0.00 C ATOM 1463 O TYR A 96 109.783 7.948 7.318 1.00 0.00 O ATOM 1464 CB TYR A 96 109.983 8.015 4.173 1.00 0.00 C ATOM 1465 CG TYR A 96 109.759 7.253 2.889 1.00 0.00 C ATOM 1466 CD1 TYR A 96 110.762 7.205 1.914 1.00 0.00 C ATOM 1467 CD2 TYR A 96 108.536 6.609 2.668 1.00 0.00 C ATOM 1468 CE1 TYR A 96 110.542 6.509 0.719 1.00 0.00 C ATOM 1469 CE2 TYR A 96 108.316 5.916 1.473 1.00 0.00 C ATOM 1470 CZ TYR A 96 109.318 5.865 0.497 1.00 0.00 C ATOM 1471 OH TYR A 96 109.101 5.183 -0.682 1.00 0.00 O ATOM 0 H TYR A 96 108.915 6.062 5.988 1.00 0.00 H new ATOM 0 HA TYR A 96 111.604 6.786 4.900 1.00 0.00 H new ATOM 0 HB2 TYR A 96 109.034 8.406 4.541 1.00 0.00 H new ATOM 0 HB3 TYR A 96 110.630 8.872 3.986 1.00 0.00 H new ATOM 0 HD1 TYR A 96 111.705 7.704 2.083 1.00 0.00 H new ATOM 0 HD2 TYR A 96 107.762 6.647 3.420 1.00 0.00 H new ATOM 0 HE1 TYR A 96 111.317 6.469 -0.032 1.00 0.00 H new ATOM 0 HE2 TYR A 96 107.372 5.420 1.303 1.00 0.00 H new ATOM 0 HH TYR A 96 109.041 4.222 -0.498 1.00 0.00 H new ATOM 1481 N SER A 97 111.834 8.528 6.788 1.00 0.00 N ATOM 1482 CA SER A 97 111.984 9.329 8.038 1.00 0.00 C ATOM 1483 C SER A 97 112.938 10.499 7.776 1.00 0.00 C ATOM 1484 O SER A 97 113.814 10.423 6.934 1.00 0.00 O ATOM 1485 CB SER A 97 112.549 8.447 9.155 1.00 0.00 C ATOM 1486 OG SER A 97 111.647 7.381 9.413 1.00 0.00 O ATOM 0 H SER A 97 112.650 8.524 6.176 1.00 0.00 H new ATOM 0 HA SER A 97 111.010 9.711 8.343 1.00 0.00 H new ATOM 0 HB2 SER A 97 113.523 8.052 8.865 1.00 0.00 H new ATOM 0 HB3 SER A 97 112.700 9.037 10.059 1.00 0.00 H new ATOM 0 HG SER A 97 112.119 6.658 9.876 1.00 0.00 H new ATOM 1492 N ARG A 98 112.778 11.587 8.488 1.00 0.00 N ATOM 1493 CA ARG A 98 113.679 12.759 8.269 1.00 0.00 C ATOM 1494 C ARG A 98 114.743 12.795 9.373 1.00 0.00 C ATOM 1495 O ARG A 98 114.445 12.664 10.545 1.00 0.00 O ATOM 1496 CB ARG A 98 112.854 14.052 8.314 1.00 0.00 C ATOM 1497 CG ARG A 98 111.833 14.057 7.171 1.00 0.00 C ATOM 1498 CD ARG A 98 111.018 15.348 7.224 1.00 0.00 C ATOM 1499 NE ARG A 98 109.897 15.264 6.231 1.00 0.00 N ATOM 1500 CZ ARG A 98 110.130 15.114 4.957 1.00 0.00 C ATOM 1501 NH1 ARG A 98 111.349 15.194 4.499 1.00 0.00 N ATOM 1502 NH2 ARG A 98 109.138 14.920 4.132 1.00 0.00 N ATOM 0 H ARG A 98 112.066 11.714 9.208 1.00 0.00 H new ATOM 0 HA ARG A 98 114.164 12.670 7.297 1.00 0.00 H new ATOM 0 HB2 ARG A 98 112.341 14.134 9.272 1.00 0.00 H new ATOM 0 HB3 ARG A 98 113.512 14.917 8.230 1.00 0.00 H new ATOM 0 HG2 ARG A 98 112.344 13.976 6.212 1.00 0.00 H new ATOM 0 HG3 ARG A 98 111.173 13.194 7.255 1.00 0.00 H new ATOM 0 HD2 ARG A 98 110.620 15.500 8.227 1.00 0.00 H new ATOM 0 HD3 ARG A 98 111.655 16.204 7.000 1.00 0.00 H new ATOM 0 HE ARG A 98 108.933 15.325 6.559 1.00 0.00 H new ATOM 0 HH11 ARG A 98 112.123 15.374 5.138 1.00 0.00 H new ATOM 0 HH12 ARG A 98 111.528 15.076 3.502 1.00 0.00 H new ATOM 0 HH21 ARG A 98 108.181 14.886 4.484 1.00 0.00 H new ATOM 0 HH22 ARG A 98 109.319 14.803 3.135 1.00 0.00 H new ATOM 1516 N LEU A 99 115.983 12.969 9.002 1.00 0.00 N ATOM 1517 CA LEU A 99 117.078 13.011 10.011 1.00 0.00 C ATOM 1518 C LEU A 99 117.300 14.459 10.470 1.00 0.00 C ATOM 1519 O LEU A 99 117.329 15.362 9.658 1.00 0.00 O ATOM 1520 CB LEU A 99 118.374 12.497 9.382 1.00 0.00 C ATOM 1521 CG LEU A 99 118.258 11.004 9.070 1.00 0.00 C ATOM 1522 CD1 LEU A 99 119.551 10.528 8.404 1.00 0.00 C ATOM 1523 CD2 LEU A 99 118.036 10.219 10.368 1.00 0.00 C ATOM 0 H LEU A 99 116.286 13.085 8.035 1.00 0.00 H new ATOM 0 HA LEU A 99 116.801 12.388 10.861 1.00 0.00 H new ATOM 0 HB2 LEU A 99 118.587 13.051 8.468 1.00 0.00 H new ATOM 0 HB3 LEU A 99 119.209 12.670 10.061 1.00 0.00 H new ATOM 0 HG LEU A 99 117.414 10.838 8.401 1.00 0.00 H new ATOM 0 HD11 LEU A 99 119.474 9.464 8.179 1.00 0.00 H new ATOM 0 HD12 LEU A 99 119.710 11.084 7.480 1.00 0.00 H new ATOM 0 HD13 LEU A 99 120.391 10.697 9.078 1.00 0.00 H new ATOM 0 HD21 LEU A 99 117.954 9.156 10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 99 118.878 10.382 11.041 1.00 0.00 H new ATOM 0 HD23 LEU A 99 117.118 10.560 10.847 1.00 0.00 H new ATOM 1535 N PRO A 100 117.488 14.690 11.749 1.00 0.00 N ATOM 1536 CA PRO A 100 117.741 16.059 12.269 1.00 0.00 C ATOM 1537 C PRO A 100 118.786 16.790 11.424 1.00 0.00 C ATOM 1538 O PRO A 100 119.495 16.187 10.645 1.00 0.00 O ATOM 1539 CB PRO A 100 118.275 15.818 13.682 1.00 0.00 C ATOM 1540 CG PRO A 100 117.701 14.508 14.105 1.00 0.00 C ATOM 1541 CD PRO A 100 117.474 13.691 12.833 1.00 0.00 C ATOM 0 HA PRO A 100 116.847 16.682 12.247 1.00 0.00 H new ATOM 0 HB2 PRO A 100 119.365 15.791 13.691 1.00 0.00 H new ATOM 0 HB3 PRO A 100 117.971 16.617 14.358 1.00 0.00 H new ATOM 0 HG2 PRO A 100 118.380 13.989 14.781 1.00 0.00 H new ATOM 0 HG3 PRO A 100 116.764 14.653 14.643 1.00 0.00 H new ATOM 0 HD2 PRO A 100 118.256 12.944 12.695 1.00 0.00 H new ATOM 0 HD3 PRO A 100 116.525 13.156 12.868 1.00 0.00 H new ATOM 1549 N SER A 101 118.877 18.082 11.554 1.00 0.00 N ATOM 1550 CA SER A 101 119.869 18.838 10.742 1.00 0.00 C ATOM 1551 C SER A 101 121.278 18.587 11.286 1.00 0.00 C ATOM 1552 O SER A 101 122.263 18.939 10.668 1.00 0.00 O ATOM 1553 CB SER A 101 119.554 20.331 10.811 1.00 0.00 C ATOM 1554 OG SER A 101 119.692 20.779 12.152 1.00 0.00 O ATOM 0 H SER A 101 118.309 18.647 12.186 1.00 0.00 H new ATOM 0 HA SER A 101 119.817 18.503 9.706 1.00 0.00 H new ATOM 0 HB2 SER A 101 120.228 20.887 10.159 1.00 0.00 H new ATOM 0 HB3 SER A 101 118.540 20.517 10.456 1.00 0.00 H new ATOM 0 HG SER A 101 119.492 21.737 12.199 1.00 0.00 H new ATOM 1560 N LEU A 102 121.385 18.001 12.450 1.00 0.00 N ATOM 1561 CA LEU A 102 122.733 17.751 13.041 1.00 0.00 C ATOM 1562 C LEU A 102 122.800 16.350 13.658 1.00 0.00 C ATOM 1563 O LEU A 102 121.953 15.967 14.439 1.00 0.00 O ATOM 1564 CB LEU A 102 122.996 18.800 14.124 1.00 0.00 C ATOM 1565 CG LEU A 102 124.356 18.549 14.778 1.00 0.00 C ATOM 1566 CD1 LEU A 102 125.453 18.567 13.711 1.00 0.00 C ATOM 1567 CD2 LEU A 102 124.630 19.647 15.807 1.00 0.00 C ATOM 0 H LEU A 102 120.598 17.685 13.016 1.00 0.00 H new ATOM 0 HA LEU A 102 123.487 17.818 12.257 1.00 0.00 H new ATOM 0 HB2 LEU A 102 122.972 19.799 13.688 1.00 0.00 H new ATOM 0 HB3 LEU A 102 122.209 18.762 14.877 1.00 0.00 H new ATOM 0 HG LEU A 102 124.348 17.576 15.270 1.00 0.00 H new ATOM 0 HD11 LEU A 102 126.420 18.388 14.181 1.00 0.00 H new ATOM 0 HD12 LEU A 102 125.257 17.788 12.975 1.00 0.00 H new ATOM 0 HD13 LEU A 102 125.464 19.538 13.217 1.00 0.00 H new ATOM 0 HD21 LEU A 102 125.598 19.473 16.276 1.00 0.00 H new ATOM 0 HD22 LEU A 102 124.637 20.617 15.311 1.00 0.00 H new ATOM 0 HD23 LEU A 102 123.850 19.635 16.569 1.00 0.00 H new ATOM 1579 N ILE A 103 123.816 15.596 13.330 1.00 0.00 N ATOM 1580 CA ILE A 103 123.966 14.228 13.912 1.00 0.00 C ATOM 1581 C ILE A 103 125.457 13.942 14.115 1.00 0.00 C ATOM 1582 O ILE A 103 126.171 13.639 13.179 1.00 0.00 O ATOM 1583 CB ILE A 103 123.370 13.182 12.966 1.00 0.00 C ATOM 1584 CG1 ILE A 103 121.854 13.377 12.867 1.00 0.00 C ATOM 1585 CG2 ILE A 103 123.665 11.779 13.504 1.00 0.00 C ATOM 1586 CD1 ILE A 103 121.290 12.458 11.783 1.00 0.00 C ATOM 0 H ILE A 103 124.553 15.870 12.680 1.00 0.00 H new ATOM 0 HA ILE A 103 123.439 14.178 14.865 1.00 0.00 H new ATOM 0 HB ILE A 103 123.815 13.297 11.978 1.00 0.00 H new ATOM 0 HG12 ILE A 103 121.385 13.156 13.826 1.00 0.00 H new ATOM 0 HG13 ILE A 103 121.625 14.417 12.632 1.00 0.00 H new ATOM 0 HG21 ILE A 103 123.241 11.034 12.831 1.00 0.00 H new ATOM 0 HG22 ILE A 103 124.743 11.635 13.572 1.00 0.00 H new ATOM 0 HG23 ILE A 103 123.221 11.668 14.493 1.00 0.00 H new ATOM 0 HD11 ILE A 103 120.211 12.597 11.713 1.00 0.00 H new ATOM 0 HD12 ILE A 103 121.750 12.700 10.825 1.00 0.00 H new ATOM 0 HD13 ILE A 103 121.506 11.420 12.037 1.00 0.00 H new ATOM 1598 N SER A 104 125.937 14.041 15.325 1.00 0.00 N ATOM 1599 CA SER A 104 127.385 13.781 15.576 1.00 0.00 C ATOM 1600 C SER A 104 127.578 12.342 16.064 1.00 0.00 C ATOM 1601 O SER A 104 128.688 11.877 16.226 1.00 0.00 O ATOM 1602 CB SER A 104 127.896 14.752 16.641 1.00 0.00 C ATOM 1603 OG SER A 104 127.429 16.062 16.343 1.00 0.00 O ATOM 0 H SER A 104 125.391 14.290 16.150 1.00 0.00 H new ATOM 0 HA SER A 104 127.943 13.923 14.650 1.00 0.00 H new ATOM 0 HB2 SER A 104 127.548 14.445 17.627 1.00 0.00 H new ATOM 0 HB3 SER A 104 128.986 14.739 16.669 1.00 0.00 H new ATOM 0 HG SER A 104 127.753 16.688 17.024 1.00 0.00 H new ATOM 1609 N ASP A 105 126.508 11.638 16.307 1.00 0.00 N ATOM 1610 CA ASP A 105 126.631 10.235 16.793 1.00 0.00 C ATOM 1611 C ASP A 105 126.833 9.286 15.608 1.00 0.00 C ATOM 1612 O ASP A 105 126.436 9.570 14.495 1.00 0.00 O ATOM 1613 CB ASP A 105 125.364 9.847 17.555 1.00 0.00 C ATOM 1614 CG ASP A 105 125.387 10.474 18.948 1.00 0.00 C ATOM 1615 OD1 ASP A 105 126.400 11.053 19.299 1.00 0.00 O ATOM 1616 OD2 ASP A 105 124.389 10.360 19.642 1.00 0.00 O ATOM 0 H ASP A 105 125.552 11.974 16.190 1.00 0.00 H new ATOM 0 HA ASP A 105 127.492 10.160 17.457 1.00 0.00 H new ATOM 0 HB2 ASP A 105 124.483 10.183 17.009 1.00 0.00 H new ATOM 0 HB3 ASP A 105 125.294 8.762 17.635 1.00 0.00 H new ATOM 1621 N ASN A 106 127.443 8.159 15.843 1.00 0.00 N ATOM 1622 CA ASN A 106 127.677 7.174 14.746 1.00 0.00 C ATOM 1623 C ASN A 106 126.708 6.000 14.907 1.00 0.00 C ATOM 1624 O ASN A 106 127.038 4.868 14.622 1.00 0.00 O ATOM 1625 CB ASN A 106 129.113 6.654 14.816 1.00 0.00 C ATOM 1626 CG ASN A 106 130.087 7.760 14.407 1.00 0.00 C ATOM 1627 OD1 ASN A 106 129.696 8.742 13.808 1.00 0.00 O ATOM 1628 ND2 ASN A 106 131.352 7.638 14.706 1.00 0.00 N ATOM 0 H ASN A 106 127.794 7.873 16.757 1.00 0.00 H new ATOM 0 HA ASN A 106 127.515 7.660 13.784 1.00 0.00 H new ATOM 0 HB2 ASN A 106 129.338 6.315 15.827 1.00 0.00 H new ATOM 0 HB3 ASN A 106 129.230 5.793 14.158 1.00 0.00 H new ATOM 0 HD21 ASN A 106 132.012 8.367 14.437 1.00 0.00 H new ATOM 0 HD22 ASN A 106 131.680 6.813 15.209 1.00 0.00 H new ATOM 1635 N TRP A 107 125.527 6.255 15.395 1.00 0.00 N ATOM 1636 CA TRP A 107 124.554 5.145 15.612 1.00 0.00 C ATOM 1637 C TRP A 107 124.144 4.523 14.276 1.00 0.00 C ATOM 1638 O TRP A 107 124.183 5.154 13.238 1.00 0.00 O ATOM 1639 CB TRP A 107 123.307 5.685 16.323 1.00 0.00 C ATOM 1640 CG TRP A 107 122.671 6.762 15.499 1.00 0.00 C ATOM 1641 CD1 TRP A 107 123.155 8.014 15.354 1.00 0.00 C ATOM 1642 CD2 TRP A 107 121.440 6.710 14.722 1.00 0.00 C ATOM 1643 NE1 TRP A 107 122.310 8.734 14.535 1.00 0.00 N ATOM 1644 CE2 TRP A 107 121.235 7.975 14.119 1.00 0.00 C ATOM 1645 CE3 TRP A 107 120.494 5.699 14.482 1.00 0.00 C ATOM 1646 CZ2 TRP A 107 120.130 8.227 13.308 1.00 0.00 C ATOM 1647 CZ3 TRP A 107 119.380 5.951 13.667 1.00 0.00 C ATOM 1648 CH2 TRP A 107 119.198 7.210 13.082 1.00 0.00 C ATOM 0 H TRP A 107 125.192 7.183 15.653 1.00 0.00 H new ATOM 0 HA TRP A 107 125.029 4.381 16.227 1.00 0.00 H new ATOM 0 HB2 TRP A 107 122.596 4.876 16.491 1.00 0.00 H new ATOM 0 HB3 TRP A 107 123.579 6.078 17.303 1.00 0.00 H new ATOM 0 HD1 TRP A 107 124.060 8.392 15.807 1.00 0.00 H new ATOM 0 HE1 TRP A 107 122.461 9.707 14.270 1.00 0.00 H new ATOM 0 HE3 TRP A 107 120.625 4.724 14.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 119.995 9.199 12.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 118.658 5.168 13.490 1.00 0.00 H new ATOM 0 HH2 TRP A 107 118.338 7.395 12.456 1.00 0.00 H new ATOM 1659 N LYS A 108 123.758 3.275 14.307 1.00 0.00 N ATOM 1660 CA LYS A 108 123.345 2.575 13.059 1.00 0.00 C ATOM 1661 C LYS A 108 122.024 1.846 13.317 1.00 0.00 C ATOM 1662 O LYS A 108 121.720 1.481 14.437 1.00 0.00 O ATOM 1663 CB LYS A 108 124.424 1.559 12.659 1.00 0.00 C ATOM 1664 CG LYS A 108 125.769 1.979 13.257 1.00 0.00 C ATOM 1665 CD LYS A 108 126.859 1.010 12.791 1.00 0.00 C ATOM 1666 CE LYS A 108 128.185 1.368 13.465 1.00 0.00 C ATOM 1667 NZ LYS A 108 128.569 2.761 13.102 1.00 0.00 N ATOM 0 H LYS A 108 123.711 2.707 15.153 1.00 0.00 H new ATOM 0 HA LYS A 108 123.218 3.297 12.253 1.00 0.00 H new ATOM 0 HB2 LYS A 108 124.151 0.565 13.013 1.00 0.00 H new ATOM 0 HB3 LYS A 108 124.499 1.501 11.573 1.00 0.00 H new ATOM 0 HG2 LYS A 108 126.015 2.995 12.949 1.00 0.00 H new ATOM 0 HG3 LYS A 108 125.710 1.981 14.345 1.00 0.00 H new ATOM 0 HD2 LYS A 108 126.579 -0.014 13.037 1.00 0.00 H new ATOM 0 HD3 LYS A 108 126.965 1.060 11.707 1.00 0.00 H new ATOM 0 HE2 LYS A 108 128.091 1.276 14.547 1.00 0.00 H new ATOM 0 HE3 LYS A 108 128.963 0.672 13.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 129.543 2.946 13.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 128.510 2.880 12.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 127.922 3.431 13.565 1.00 0.00 H new ATOM 1681 N PHE A 109 121.244 1.612 12.296 1.00 0.00 N ATOM 1682 CA PHE A 109 119.956 0.886 12.504 1.00 0.00 C ATOM 1683 C PHE A 109 119.589 0.158 11.208 1.00 0.00 C ATOM 1684 O PHE A 109 120.077 0.492 10.146 1.00 0.00 O ATOM 1685 CB PHE A 109 118.857 1.884 12.884 1.00 0.00 C ATOM 1686 CG PHE A 109 118.444 2.690 11.677 1.00 0.00 C ATOM 1687 CD1 PHE A 109 119.139 3.854 11.337 1.00 0.00 C ATOM 1688 CD2 PHE A 109 117.352 2.274 10.904 1.00 0.00 C ATOM 1689 CE1 PHE A 109 118.744 4.604 10.223 1.00 0.00 C ATOM 1690 CE2 PHE A 109 116.957 3.023 9.791 1.00 0.00 C ATOM 1691 CZ PHE A 109 117.654 4.188 9.449 1.00 0.00 C ATOM 0 H PHE A 109 121.440 1.889 11.334 1.00 0.00 H new ATOM 0 HA PHE A 109 120.059 0.161 13.312 1.00 0.00 H new ATOM 0 HB2 PHE A 109 117.995 1.351 13.287 1.00 0.00 H new ATOM 0 HB3 PHE A 109 119.216 2.549 13.669 1.00 0.00 H new ATOM 0 HD1 PHE A 109 119.980 4.175 11.933 1.00 0.00 H new ATOM 0 HD2 PHE A 109 116.815 1.375 11.168 1.00 0.00 H new ATOM 0 HE1 PHE A 109 119.280 5.504 9.960 1.00 0.00 H new ATOM 0 HE2 PHE A 109 116.115 2.703 9.196 1.00 0.00 H new ATOM 0 HZ PHE A 109 117.351 4.766 8.588 1.00 0.00 H new ATOM 1701 N PHE A 110 118.751 -0.845 11.274 1.00 0.00 N ATOM 1702 CA PHE A 110 118.402 -1.581 10.024 1.00 0.00 C ATOM 1703 C PHE A 110 116.988 -2.173 10.089 1.00 0.00 C ATOM 1704 O PHE A 110 116.428 -2.389 11.145 1.00 0.00 O ATOM 1705 CB PHE A 110 119.413 -2.710 9.818 1.00 0.00 C ATOM 1706 CG PHE A 110 119.675 -3.405 11.134 1.00 0.00 C ATOM 1707 CD1 PHE A 110 120.533 -2.820 12.074 1.00 0.00 C ATOM 1708 CD2 PHE A 110 119.066 -4.635 11.414 1.00 0.00 C ATOM 1709 CE1 PHE A 110 120.780 -3.463 13.292 1.00 0.00 C ATOM 1710 CE2 PHE A 110 119.315 -5.278 12.633 1.00 0.00 C ATOM 1711 CZ PHE A 110 120.172 -4.693 13.571 1.00 0.00 C ATOM 0 H PHE A 110 118.300 -1.181 12.125 1.00 0.00 H new ATOM 0 HA PHE A 110 118.432 -0.877 9.192 1.00 0.00 H new ATOM 0 HB2 PHE A 110 119.032 -3.424 9.088 1.00 0.00 H new ATOM 0 HB3 PHE A 110 120.343 -2.309 9.416 1.00 0.00 H new ATOM 0 HD1 PHE A 110 121.004 -1.872 11.859 1.00 0.00 H new ATOM 0 HD2 PHE A 110 118.405 -5.087 10.690 1.00 0.00 H new ATOM 0 HE1 PHE A 110 121.440 -3.010 14.017 1.00 0.00 H new ATOM 0 HE2 PHE A 110 118.845 -6.226 12.849 1.00 0.00 H new ATOM 0 HZ PHE A 110 120.365 -5.190 14.510 1.00 0.00 H new ATOM 1721 N CYS A 111 116.427 -2.456 8.941 1.00 0.00 N ATOM 1722 CA CYS A 111 115.065 -3.061 8.871 1.00 0.00 C ATOM 1723 C CYS A 111 115.172 -4.370 8.086 1.00 0.00 C ATOM 1724 O CYS A 111 116.090 -4.550 7.315 1.00 0.00 O ATOM 1725 CB CYS A 111 114.111 -2.098 8.157 1.00 0.00 C ATOM 1726 SG CYS A 111 113.791 -0.666 9.220 1.00 0.00 S ATOM 0 H CYS A 111 116.864 -2.290 8.034 1.00 0.00 H new ATOM 0 HA CYS A 111 114.678 -3.253 9.872 1.00 0.00 H new ATOM 0 HB2 CYS A 111 114.546 -1.773 7.212 1.00 0.00 H new ATOM 0 HB3 CYS A 111 113.176 -2.605 7.920 1.00 0.00 H new ATOM 1731 N VAL A 112 114.273 -5.301 8.286 1.00 0.00 N ATOM 1732 CA VAL A 112 114.383 -6.603 7.555 1.00 0.00 C ATOM 1733 C VAL A 112 113.065 -6.987 6.878 1.00 0.00 C ATOM 1734 O VAL A 112 111.992 -6.818 7.420 1.00 0.00 O ATOM 1735 CB VAL A 112 114.779 -7.700 8.542 1.00 0.00 C ATOM 1736 CG1 VAL A 112 114.582 -9.069 7.888 1.00 0.00 C ATOM 1737 CG2 VAL A 112 116.251 -7.530 8.927 1.00 0.00 C ATOM 0 H VAL A 112 113.475 -5.219 8.916 1.00 0.00 H new ATOM 0 HA VAL A 112 115.140 -6.492 6.779 1.00 0.00 H new ATOM 0 HB VAL A 112 114.157 -7.629 9.434 1.00 0.00 H new ATOM 0 HG11 VAL A 112 114.864 -9.852 8.591 1.00 0.00 H new ATOM 0 HG12 VAL A 112 113.535 -9.192 7.609 1.00 0.00 H new ATOM 0 HG13 VAL A 112 115.206 -9.140 6.997 1.00 0.00 H new ATOM 0 HG21 VAL A 112 116.536 -8.312 9.631 1.00 0.00 H new ATOM 0 HG22 VAL A 112 116.871 -7.603 8.034 1.00 0.00 H new ATOM 0 HG23 VAL A 112 116.395 -6.554 9.390 1.00 0.00 H new ATOM 1747 N CYS A 113 113.162 -7.554 5.699 1.00 0.00 N ATOM 1748 CA CYS A 113 111.956 -8.024 4.959 1.00 0.00 C ATOM 1749 C CYS A 113 112.130 -9.530 4.732 1.00 0.00 C ATOM 1750 O CYS A 113 113.181 -9.971 4.310 1.00 0.00 O ATOM 1751 CB CYS A 113 111.870 -7.314 3.605 1.00 0.00 C ATOM 1752 SG CYS A 113 111.646 -5.535 3.853 1.00 0.00 S ATOM 0 H CYS A 113 114.045 -7.712 5.213 1.00 0.00 H new ATOM 0 HA CYS A 113 111.047 -7.810 5.521 1.00 0.00 H new ATOM 0 HB2 CYS A 113 112.778 -7.498 3.030 1.00 0.00 H new ATOM 0 HB3 CYS A 113 111.039 -7.716 3.026 1.00 0.00 H new ATOM 1757 N SER A 114 111.144 -10.340 5.023 1.00 0.00 N ATOM 1758 CA SER A 114 111.343 -11.805 4.824 1.00 0.00 C ATOM 1759 C SER A 114 110.028 -12.578 4.963 1.00 0.00 C ATOM 1760 O SER A 114 109.015 -12.052 5.373 1.00 0.00 O ATOM 1761 CB SER A 114 112.322 -12.312 5.879 1.00 0.00 C ATOM 1762 OG SER A 114 111.728 -12.184 7.164 1.00 0.00 O ATOM 0 H SER A 114 110.231 -10.059 5.381 1.00 0.00 H new ATOM 0 HA SER A 114 111.728 -11.965 3.817 1.00 0.00 H new ATOM 0 HB2 SER A 114 112.578 -13.354 5.685 1.00 0.00 H new ATOM 0 HB3 SER A 114 113.250 -11.742 5.835 1.00 0.00 H new ATOM 0 HG SER A 114 112.351 -12.510 7.846 1.00 0.00 H new ATOM 1768 N LYS A 115 110.073 -13.842 4.643 1.00 0.00 N ATOM 1769 CA LYS A 115 108.886 -14.736 4.766 1.00 0.00 C ATOM 1770 C LYS A 115 109.381 -16.145 5.090 1.00 0.00 C ATOM 1771 O LYS A 115 110.549 -16.445 4.939 1.00 0.00 O ATOM 1772 CB LYS A 115 108.084 -14.774 3.462 1.00 0.00 C ATOM 1773 CG LYS A 115 107.135 -13.577 3.386 1.00 0.00 C ATOM 1774 CD LYS A 115 106.227 -13.735 2.160 1.00 0.00 C ATOM 1775 CE LYS A 115 105.110 -12.685 2.205 1.00 0.00 C ATOM 1776 NZ LYS A 115 104.283 -12.895 3.427 1.00 0.00 N ATOM 0 H LYS A 115 110.910 -14.306 4.290 1.00 0.00 H new ATOM 0 HA LYS A 115 108.235 -14.357 5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 115 108.763 -14.763 2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 115 107.515 -15.702 3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 115 106.534 -13.515 4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 115 107.704 -12.650 3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 115 106.810 -13.620 1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 115 105.797 -14.737 2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 115 105.538 -11.683 2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 115 104.488 -12.762 1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 103.329 -12.510 3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 104.217 -13.913 3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 104.725 -12.409 4.233 1.00 0.00 H new ATOM 1790 N ASP A 116 108.519 -17.017 5.525 1.00 0.00 N ATOM 1791 CA ASP A 116 108.972 -18.403 5.837 1.00 0.00 C ATOM 1792 C ASP A 116 109.608 -19.016 4.584 1.00 0.00 C ATOM 1793 O ASP A 116 109.244 -18.692 3.473 1.00 0.00 O ATOM 1794 CB ASP A 116 107.772 -19.246 6.274 1.00 0.00 C ATOM 1795 CG ASP A 116 106.759 -19.327 5.131 1.00 0.00 C ATOM 1796 OD1 ASP A 116 106.973 -18.668 4.127 1.00 0.00 O ATOM 1797 OD2 ASP A 116 105.784 -20.046 5.280 1.00 0.00 O ATOM 0 H ASP A 116 107.527 -16.835 5.678 1.00 0.00 H new ATOM 0 HA ASP A 116 109.705 -18.380 6.644 1.00 0.00 H new ATOM 0 HB2 ASP A 116 108.100 -20.247 6.554 1.00 0.00 H new ATOM 0 HB3 ASP A 116 107.307 -18.805 7.155 1.00 0.00 H new ATOM 1802 N ASN A 117 110.546 -19.906 4.755 1.00 0.00 N ATOM 1803 CA ASN A 117 111.197 -20.543 3.568 1.00 0.00 C ATOM 1804 C ASN A 117 111.483 -19.480 2.501 1.00 0.00 C ATOM 1805 O ASN A 117 110.991 -19.564 1.395 1.00 0.00 O ATOM 1806 CB ASN A 117 110.270 -21.611 2.985 1.00 0.00 C ATOM 1807 CG ASN A 117 111.068 -22.531 2.058 1.00 0.00 C ATOM 1808 OD1 ASN A 117 112.229 -22.797 2.299 1.00 0.00 O ATOM 1809 ND2 ASN A 117 110.490 -23.033 1.001 1.00 0.00 N ATOM 0 H ASN A 117 110.891 -20.221 5.661 1.00 0.00 H new ATOM 0 HA ASN A 117 112.134 -21.005 3.879 1.00 0.00 H new ATOM 0 HB2 ASN A 117 109.817 -22.192 3.788 1.00 0.00 H new ATOM 0 HB3 ASN A 117 109.456 -21.140 2.434 1.00 0.00 H new ATOM 0 HD21 ASN A 117 111.013 -23.648 0.378 1.00 0.00 H new ATOM 0 HD22 ASN A 117 109.516 -22.810 0.798 1.00 0.00 H new ATOM 1816 N GLU A 118 112.279 -18.490 2.816 1.00 0.00 N ATOM 1817 CA GLU A 118 112.588 -17.430 1.809 1.00 0.00 C ATOM 1818 C GLU A 118 113.847 -16.659 2.218 1.00 0.00 C ATOM 1819 O GLU A 118 114.068 -16.388 3.381 1.00 0.00 O ATOM 1820 CB GLU A 118 111.418 -16.442 1.721 1.00 0.00 C ATOM 1821 CG GLU A 118 110.280 -17.032 0.885 1.00 0.00 C ATOM 1822 CD GLU A 118 109.340 -15.912 0.442 1.00 0.00 C ATOM 1823 OE1 GLU A 118 109.730 -14.761 0.551 1.00 0.00 O ATOM 1824 OE2 GLU A 118 108.247 -16.224 -0.001 1.00 0.00 O ATOM 0 H GLU A 118 112.727 -18.370 3.724 1.00 0.00 H new ATOM 0 HA GLU A 118 112.749 -17.909 0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 118 111.057 -16.206 2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 118 111.757 -15.507 1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 118 110.684 -17.548 0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 118 109.732 -17.772 1.468 1.00 0.00 H new ATOM 1831 N LYS A 119 114.675 -16.299 1.269 1.00 0.00 N ATOM 1832 CA LYS A 119 115.917 -15.542 1.604 1.00 0.00 C ATOM 1833 C LYS A 119 115.537 -14.291 2.404 1.00 0.00 C ATOM 1834 O LYS A 119 114.487 -13.713 2.202 1.00 0.00 O ATOM 1835 CB LYS A 119 116.616 -15.121 0.305 1.00 0.00 C ATOM 1836 CG LYS A 119 117.064 -16.364 -0.469 1.00 0.00 C ATOM 1837 CD LYS A 119 117.663 -15.941 -1.814 1.00 0.00 C ATOM 1838 CE LYS A 119 118.099 -17.182 -2.596 1.00 0.00 C ATOM 1839 NZ LYS A 119 118.626 -16.772 -3.930 1.00 0.00 N ATOM 0 H LYS A 119 114.543 -16.497 0.277 1.00 0.00 H new ATOM 0 HA LYS A 119 116.587 -16.168 2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 119 115.939 -14.525 -0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 119 117.477 -14.493 0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 119 117.801 -16.920 0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 119 116.216 -17.030 -0.630 1.00 0.00 H new ATOM 0 HD2 LYS A 119 116.929 -15.376 -2.389 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.516 -15.282 -1.652 1.00 0.00 H new ATOM 0 HE2 LYS A 119 118.866 -17.723 -2.041 1.00 0.00 H new ATOM 0 HE3 LYS A 119 117.256 -17.861 -2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 118.922 -17.616 -4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 117.882 -16.274 -4.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 119.442 -16.140 -3.802 1.00 0.00 H new ATOM 1853 N LYS A 120 116.376 -13.872 3.312 1.00 0.00 N ATOM 1854 CA LYS A 120 116.061 -12.660 4.130 1.00 0.00 C ATOM 1855 C LYS A 120 116.779 -11.430 3.560 1.00 0.00 C ATOM 1856 O LYS A 120 117.922 -11.493 3.138 1.00 0.00 O ATOM 1857 CB LYS A 120 116.484 -12.895 5.583 1.00 0.00 C ATOM 1858 CG LYS A 120 117.805 -13.666 5.624 1.00 0.00 C ATOM 1859 CD LYS A 120 118.187 -13.951 7.076 1.00 0.00 C ATOM 1860 CE LYS A 120 119.343 -14.954 7.117 1.00 0.00 C ATOM 1861 NZ LYS A 120 120.101 -14.789 8.390 1.00 0.00 N ATOM 0 H LYS A 120 117.269 -14.316 3.525 1.00 0.00 H new ATOM 0 HA LYS A 120 114.987 -12.478 4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 120 116.594 -11.940 6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 120 115.711 -13.454 6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 120 117.709 -14.601 5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 120 118.591 -13.088 5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 120 118.477 -13.026 7.574 1.00 0.00 H new ATOM 0 HD3 LYS A 120 117.328 -14.349 7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 120 118.959 -15.971 7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 120 120.004 -14.798 6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 120.886 -15.471 8.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 120.480 -13.822 8.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 119.467 -14.959 9.196 1.00 0.00 H new ATOM 1875 N LEU A 121 116.108 -10.306 3.556 1.00 0.00 N ATOM 1876 CA LEU A 121 116.734 -9.057 3.025 1.00 0.00 C ATOM 1877 C LEU A 121 116.978 -8.083 4.182 1.00 0.00 C ATOM 1878 O LEU A 121 116.067 -7.740 4.909 1.00 0.00 O ATOM 1879 CB LEU A 121 115.787 -8.410 2.009 1.00 0.00 C ATOM 1880 CG LEU A 121 115.397 -9.436 0.941 1.00 0.00 C ATOM 1881 CD1 LEU A 121 114.389 -8.810 -0.026 1.00 0.00 C ATOM 1882 CD2 LEU A 121 116.642 -9.868 0.164 1.00 0.00 C ATOM 0 H LEU A 121 115.153 -10.199 3.898 1.00 0.00 H new ATOM 0 HA LEU A 121 117.681 -9.297 2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 121 114.895 -8.039 2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 121 116.270 -7.551 1.543 1.00 0.00 H new ATOM 0 HG LEU A 121 114.950 -10.305 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 121 114.112 -9.541 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 121 113.499 -8.503 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 121 114.837 -7.940 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 121 116.362 -10.598 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 121 117.091 -8.999 -0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 121 117.362 -10.315 0.850 1.00 0.00 H new ATOM 1894 N VAL A 122 118.193 -7.631 4.366 1.00 0.00 N ATOM 1895 CA VAL A 122 118.478 -6.682 5.489 1.00 0.00 C ATOM 1896 C VAL A 122 118.777 -5.281 4.944 1.00 0.00 C ATOM 1897 O VAL A 122 119.588 -5.099 4.060 1.00 0.00 O ATOM 1898 CB VAL A 122 119.689 -7.183 6.283 1.00 0.00 C ATOM 1899 CG1 VAL A 122 120.177 -6.072 7.220 1.00 0.00 C ATOM 1900 CG2 VAL A 122 119.293 -8.413 7.114 1.00 0.00 C ATOM 0 H VAL A 122 118.998 -7.876 3.790 1.00 0.00 H new ATOM 0 HA VAL A 122 117.602 -6.631 6.136 1.00 0.00 H new ATOM 0 HB VAL A 122 120.485 -7.457 5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 122 121.039 -6.426 7.786 1.00 0.00 H new ATOM 0 HG12 VAL A 122 120.462 -5.200 6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 122 119.377 -5.800 7.909 1.00 0.00 H new ATOM 0 HG21 VAL A 122 120.157 -8.766 7.677 1.00 0.00 H new ATOM 0 HG22 VAL A 122 118.495 -8.143 7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 122 118.945 -9.204 6.450 1.00 0.00 H new ATOM 1910 N PHE A 123 118.133 -4.288 5.491 1.00 0.00 N ATOM 1911 CA PHE A 123 118.375 -2.883 5.050 1.00 0.00 C ATOM 1912 C PHE A 123 119.119 -2.160 6.173 1.00 0.00 C ATOM 1913 O PHE A 123 118.641 -2.106 7.282 1.00 0.00 O ATOM 1914 CB PHE A 123 117.022 -2.208 4.793 1.00 0.00 C ATOM 1915 CG PHE A 123 117.201 -0.713 4.675 1.00 0.00 C ATOM 1916 CD1 PHE A 123 117.869 -0.176 3.574 1.00 0.00 C ATOM 1917 CD2 PHE A 123 116.685 0.134 5.663 1.00 0.00 C ATOM 1918 CE1 PHE A 123 118.028 1.207 3.457 1.00 0.00 C ATOM 1919 CE2 PHE A 123 116.842 1.520 5.548 1.00 0.00 C ATOM 1920 CZ PHE A 123 117.514 2.058 4.444 1.00 0.00 C ATOM 0 H PHE A 123 117.441 -4.390 6.233 1.00 0.00 H new ATOM 0 HA PHE A 123 118.967 -2.853 4.135 1.00 0.00 H new ATOM 0 HB2 PHE A 123 116.578 -2.602 3.879 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.333 -2.436 5.606 1.00 0.00 H new ATOM 0 HD1 PHE A 123 118.264 -0.831 2.811 1.00 0.00 H new ATOM 0 HD2 PHE A 123 116.166 -0.282 6.514 1.00 0.00 H new ATOM 0 HE1 PHE A 123 118.547 1.620 2.605 1.00 0.00 H new ATOM 0 HE2 PHE A 123 116.445 2.174 6.310 1.00 0.00 H new ATOM 0 HZ PHE A 123 117.636 3.127 4.353 1.00 0.00 H new ATOM 1930 N THR A 124 120.289 -1.624 5.916 1.00 0.00 N ATOM 1931 CA THR A 124 121.039 -0.940 7.017 1.00 0.00 C ATOM 1932 C THR A 124 121.665 0.382 6.555 1.00 0.00 C ATOM 1933 O THR A 124 122.195 0.504 5.463 1.00 0.00 O ATOM 1934 CB THR A 124 122.142 -1.875 7.521 1.00 0.00 C ATOM 1935 OG1 THR A 124 122.643 -1.388 8.758 1.00 0.00 O ATOM 1936 CG2 THR A 124 123.278 -1.929 6.499 1.00 0.00 C ATOM 0 H THR A 124 120.751 -1.630 5.007 1.00 0.00 H new ATOM 0 HA THR A 124 120.332 -0.708 7.814 1.00 0.00 H new ATOM 0 HB THR A 124 121.733 -2.876 7.659 1.00 0.00 H new ATOM 0 HG1 THR A 124 123.348 -1.986 9.084 1.00 0.00 H new ATOM 0 HG21 THR A 124 124.061 -2.595 6.861 1.00 0.00 H new ATOM 0 HG22 THR A 124 122.895 -2.301 5.549 1.00 0.00 H new ATOM 0 HG23 THR A 124 123.688 -0.929 6.358 1.00 0.00 H new ATOM 1944 N VAL A 125 121.641 1.364 7.421 1.00 0.00 N ATOM 1945 CA VAL A 125 122.256 2.683 7.104 1.00 0.00 C ATOM 1946 C VAL A 125 123.054 3.141 8.327 1.00 0.00 C ATOM 1947 O VAL A 125 122.819 2.680 9.435 1.00 0.00 O ATOM 1948 CB VAL A 125 121.162 3.705 6.776 1.00 0.00 C ATOM 1949 CG1 VAL A 125 120.138 3.074 5.829 1.00 0.00 C ATOM 1950 CG2 VAL A 125 120.462 4.139 8.065 1.00 0.00 C ATOM 0 H VAL A 125 121.215 1.304 8.346 1.00 0.00 H new ATOM 0 HA VAL A 125 122.913 2.596 6.238 1.00 0.00 H new ATOM 0 HB VAL A 125 121.613 4.574 6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 125 119.361 3.802 5.597 1.00 0.00 H new ATOM 0 HG12 VAL A 125 120.635 2.767 4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 125 119.689 2.203 6.307 1.00 0.00 H new ATOM 0 HG21 VAL A 125 119.684 4.866 7.830 1.00 0.00 H new ATOM 0 HG22 VAL A 125 120.013 3.270 8.546 1.00 0.00 H new ATOM 0 HG23 VAL A 125 121.189 4.591 8.739 1.00 0.00 H new ATOM 1960 N GLU A 126 123.996 4.035 8.151 1.00 0.00 N ATOM 1961 CA GLU A 126 124.808 4.505 9.317 1.00 0.00 C ATOM 1962 C GLU A 126 124.716 6.025 9.452 1.00 0.00 C ATOM 1963 O GLU A 126 124.682 6.747 8.475 1.00 0.00 O ATOM 1964 CB GLU A 126 126.272 4.105 9.104 1.00 0.00 C ATOM 1965 CG GLU A 126 127.115 4.615 10.274 1.00 0.00 C ATOM 1966 CD GLU A 126 128.565 4.162 10.096 1.00 0.00 C ATOM 1967 OE1 GLU A 126 128.895 3.708 9.013 1.00 0.00 O ATOM 1968 OE2 GLU A 126 129.322 4.278 11.047 1.00 0.00 O ATOM 0 H GLU A 126 124.237 4.458 7.255 1.00 0.00 H new ATOM 0 HA GLU A 126 124.422 4.045 10.227 1.00 0.00 H new ATOM 0 HB2 GLU A 126 126.356 3.021 9.026 1.00 0.00 H new ATOM 0 HB3 GLU A 126 126.641 4.522 8.167 1.00 0.00 H new ATOM 0 HG2 GLU A 126 127.067 5.703 10.324 1.00 0.00 H new ATOM 0 HG3 GLU A 126 126.717 4.235 11.215 1.00 0.00 H new ATOM 1975 N ALA A 127 124.679 6.513 10.663 1.00 0.00 N ATOM 1976 CA ALA A 127 124.595 7.986 10.876 1.00 0.00 C ATOM 1977 C ALA A 127 125.471 8.376 12.070 1.00 0.00 C ATOM 1978 O ALA A 127 126.408 9.130 11.869 1.00 0.00 O ATOM 1979 CB ALA A 127 123.145 8.386 11.156 1.00 0.00 C ATOM 1980 OXT ALA A 127 125.190 7.912 13.165 1.00 0.00 O ATOM 0 H ALA A 127 124.703 5.953 11.515 1.00 0.00 H new ATOM 0 HA ALA A 127 124.944 8.501 9.981 1.00 0.00 H new ATOM 0 HB1 ALA A 127 123.088 9.463 11.311 1.00 0.00 H new ATOM 0 HB2 ALA A 127 122.520 8.108 10.307 1.00 0.00 H new ATOM 0 HB3 ALA A 127 122.792 7.872 12.050 1.00 0.00 H new