USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 575 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 34 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 37 GLN : amide:sc= 0.738 K(o=1.5,f=-0.0079) USER MOD Set 1.3: A 44 HIS : no HE2:sc= 0.723 K(o=1.5,f=-5.2!) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.115 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 77:sc= 0.0203 USER MOD Single : A 5 SER OG : rot 32:sc= 1.28 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.21 K(o=-1.2,f=-3.8!) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.0565 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -157:sc= -1.58 (180deg=-2.21) USER MOD Single : A 28 SER OG : rot 89:sc= 0.367 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl -136:sc= 0 (180deg=-0.392) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.29 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -170:sc= 0 USER MOD Single : A 49 TYR OH : rot 85:sc= 0.258 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 160:sc= -0.0896 USER MOD Single : A 59 LYS NZ :NH3+ -161:sc=-0.000815 (180deg=-0.116) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 163:sc= -0.213 (180deg=-0.69) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 171:sc= 0 (180deg=-0.0743) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.708 -8.697 -19.659 1.00 0.00 N ATOM 2 CA GLY A 1 -21.428 -7.542 -18.801 1.00 0.00 C ATOM 3 C GLY A 1 -21.184 -7.974 -17.368 1.00 0.00 C ATOM 4 O GLY A 1 -21.266 -9.161 -17.042 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.984 -8.761 -20.403 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.694 -9.566 -19.087 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.645 -8.585 -20.097 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.555 -7.009 -19.177 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.266 -6.846 -18.837 1.00 0.00 H new ATOM 8 N SER A 2 -20.920 -6.996 -16.498 1.00 0.00 N ATOM 9 CA SER A 2 -20.583 -7.213 -15.097 1.00 0.00 C ATOM 10 C SER A 2 -19.441 -8.232 -14.940 1.00 0.00 C ATOM 11 O SER A 2 -18.510 -8.204 -15.752 1.00 0.00 O ATOM 12 CB SER A 2 -21.868 -7.531 -14.318 1.00 0.00 C ATOM 13 OG SER A 2 -22.730 -6.408 -14.309 1.00 0.00 O ATOM 0 H SER A 2 -20.936 -6.010 -16.758 1.00 0.00 H new ATOM 0 HA SER A 2 -20.173 -6.306 -14.653 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.375 -8.383 -14.772 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.620 -7.815 -13.295 1.00 0.00 H new ATOM 0 HG SER A 2 -23.545 -6.625 -13.811 1.00 0.00 H new ATOM 19 N SER A 3 -19.482 -9.022 -13.862 1.00 0.00 N ATOM 20 CA SER A 3 -18.485 -9.909 -13.272 1.00 0.00 C ATOM 21 C SER A 3 -17.850 -9.203 -12.071 1.00 0.00 C ATOM 22 O SER A 3 -17.742 -7.971 -12.039 1.00 0.00 O ATOM 23 CB SER A 3 -17.420 -10.415 -14.256 1.00 0.00 C ATOM 24 OG SER A 3 -18.030 -11.141 -15.310 1.00 0.00 O ATOM 0 H SER A 3 -20.339 -9.054 -13.309 1.00 0.00 H new ATOM 0 HA SER A 3 -19.004 -10.813 -12.953 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.860 -9.572 -14.662 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.705 -11.051 -13.734 1.00 0.00 H new ATOM 0 HG SER A 3 -18.436 -10.516 -15.946 1.00 0.00 H new ATOM 30 N GLY A 4 -17.442 -10.005 -11.090 1.00 0.00 N ATOM 31 CA GLY A 4 -17.004 -9.587 -9.771 1.00 0.00 C ATOM 32 C GLY A 4 -17.870 -10.267 -8.711 1.00 0.00 C ATOM 33 O GLY A 4 -18.975 -10.737 -8.996 1.00 0.00 O ATOM 0 H GLY A 4 -17.408 -11.018 -11.206 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.956 -9.849 -9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.078 -8.504 -9.677 1.00 0.00 H new ATOM 37 N SER A 5 -17.384 -10.321 -7.474 1.00 0.00 N ATOM 38 CA SER A 5 -18.139 -10.633 -6.268 1.00 0.00 C ATOM 39 C SER A 5 -17.243 -10.227 -5.102 1.00 0.00 C ATOM 40 O SER A 5 -16.453 -11.047 -4.628 1.00 0.00 O ATOM 41 CB SER A 5 -18.492 -12.130 -6.164 1.00 0.00 C ATOM 42 OG SER A 5 -19.539 -12.496 -7.048 1.00 0.00 O ATOM 0 H SER A 5 -16.400 -10.138 -7.277 1.00 0.00 H new ATOM 0 HA SER A 5 -19.090 -10.101 -6.272 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.607 -12.727 -6.385 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.785 -12.362 -5.140 1.00 0.00 H new ATOM 0 HG SER A 5 -19.498 -11.938 -7.853 1.00 0.00 H new ATOM 48 N SER A 6 -17.326 -8.977 -4.647 1.00 0.00 N ATOM 49 CA SER A 6 -16.587 -8.517 -3.475 1.00 0.00 C ATOM 50 C SER A 6 -17.530 -7.865 -2.463 1.00 0.00 C ATOM 51 O SER A 6 -18.656 -7.497 -2.805 1.00 0.00 O ATOM 52 CB SER A 6 -15.408 -7.625 -3.895 1.00 0.00 C ATOM 53 OG SER A 6 -15.798 -6.556 -4.741 1.00 0.00 O ATOM 0 H SER A 6 -17.906 -8.258 -5.080 1.00 0.00 H new ATOM 0 HA SER A 6 -16.147 -9.373 -2.963 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.930 -7.220 -3.003 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.663 -8.234 -4.407 1.00 0.00 H new ATOM 0 HG SER A 6 -15.011 -6.021 -4.976 1.00 0.00 H new ATOM 59 N GLY A 7 -17.080 -7.737 -1.216 1.00 0.00 N ATOM 60 CA GLY A 7 -17.738 -6.959 -0.177 1.00 0.00 C ATOM 61 C GLY A 7 -17.924 -7.760 1.106 1.00 0.00 C ATOM 62 O GLY A 7 -18.023 -8.988 1.075 1.00 0.00 O ATOM 0 H GLY A 7 -16.222 -8.186 -0.895 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.149 -6.067 0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.710 -6.622 -0.538 1.00 0.00 H new ATOM 66 N ARG A 8 -18.068 -7.036 2.222 1.00 0.00 N ATOM 67 CA ARG A 8 -18.195 -7.534 3.592 1.00 0.00 C ATOM 68 C ARG A 8 -17.142 -8.601 3.900 1.00 0.00 C ATOM 69 O ARG A 8 -17.442 -9.798 3.991 1.00 0.00 O ATOM 70 CB ARG A 8 -19.650 -7.949 3.888 1.00 0.00 C ATOM 71 CG ARG A 8 -19.966 -8.144 5.383 1.00 0.00 C ATOM 72 CD ARG A 8 -20.288 -6.843 6.141 1.00 0.00 C ATOM 73 NE ARG A 8 -19.143 -5.923 6.229 1.00 0.00 N ATOM 74 CZ ARG A 8 -18.128 -5.973 7.097 1.00 0.00 C ATOM 75 NH1 ARG A 8 -18.124 -6.814 8.122 1.00 0.00 N ATOM 76 NH2 ARG A 8 -17.082 -5.185 6.915 1.00 0.00 N ATOM 0 H ARG A 8 -18.101 -6.017 2.187 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.977 -6.727 4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -20.320 -7.191 3.484 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.864 -8.878 3.360 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -20.813 -8.824 5.477 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -19.114 -8.628 5.862 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -21.115 -6.336 5.644 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -20.625 -7.091 7.148 1.00 0.00 H new ATOM 0 HE ARG A 8 -19.122 -5.161 5.551 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -18.911 -7.447 8.265 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.334 -6.828 8.767 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.056 -4.548 6.119 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.301 -5.214 7.571 1.00 0.00 H new ATOM 90 N GLY A 9 -15.907 -8.129 4.079 1.00 0.00 N ATOM 91 CA GLY A 9 -14.706 -8.944 4.115 1.00 0.00 C ATOM 92 C GLY A 9 -14.725 -9.866 2.908 1.00 0.00 C ATOM 93 O GLY A 9 -14.746 -9.376 1.783 1.00 0.00 O ATOM 0 H GLY A 9 -15.716 -7.135 4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -13.817 -8.313 4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -14.667 -9.524 5.037 1.00 0.00 H new ATOM 97 N ARG A 10 -14.815 -11.173 3.169 1.00 0.00 N ATOM 98 CA ARG A 10 -14.906 -12.261 2.202 1.00 0.00 C ATOM 99 C ARG A 10 -13.684 -12.287 1.300 1.00 0.00 C ATOM 100 O ARG A 10 -13.580 -11.506 0.357 1.00 0.00 O ATOM 101 CB ARG A 10 -16.231 -12.222 1.426 1.00 0.00 C ATOM 102 CG ARG A 10 -16.587 -13.624 0.905 1.00 0.00 C ATOM 103 CD ARG A 10 -18.103 -13.810 0.833 1.00 0.00 C ATOM 104 NE ARG A 10 -18.466 -15.235 0.752 1.00 0.00 N ATOM 105 CZ ARG A 10 -18.743 -16.021 1.801 1.00 0.00 C ATOM 106 NH1 ARG A 10 -18.661 -15.546 3.043 1.00 0.00 N ATOM 107 NH2 ARG A 10 -19.108 -17.285 1.606 1.00 0.00 N ATOM 0 H ARG A 10 -14.827 -11.518 4.129 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.911 -13.205 2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -17.028 -11.854 2.072 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.151 -11.526 0.591 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -16.151 -13.771 -0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -16.154 -14.380 1.560 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -18.568 -13.364 1.712 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -18.495 -13.283 -0.037 1.00 0.00 H new ATOM 0 HE ARG A 10 -18.510 -15.657 -0.176 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.386 -14.577 3.201 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.874 -16.152 3.836 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -19.177 -17.656 0.658 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -19.319 -17.884 2.404 1.00 0.00 H new ATOM 121 N TYR A 11 -12.753 -13.177 1.635 1.00 0.00 N ATOM 122 CA TYR A 11 -11.356 -13.140 1.221 1.00 0.00 C ATOM 123 C TYR A 11 -10.698 -11.885 1.820 1.00 0.00 C ATOM 124 O TYR A 11 -11.378 -10.938 2.231 1.00 0.00 O ATOM 125 CB TYR A 11 -11.215 -13.287 -0.307 1.00 0.00 C ATOM 126 CG TYR A 11 -12.224 -14.218 -0.963 1.00 0.00 C ATOM 127 CD1 TYR A 11 -12.193 -15.605 -0.717 1.00 0.00 C ATOM 128 CD2 TYR A 11 -13.229 -13.681 -1.789 1.00 0.00 C ATOM 129 CE1 TYR A 11 -13.146 -16.452 -1.316 1.00 0.00 C ATOM 130 CE2 TYR A 11 -14.187 -14.515 -2.383 1.00 0.00 C ATOM 131 CZ TYR A 11 -14.147 -15.905 -2.152 1.00 0.00 C ATOM 132 OH TYR A 11 -15.080 -16.710 -2.726 1.00 0.00 O ATOM 0 H TYR A 11 -12.963 -13.979 2.229 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.813 -13.999 1.614 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.306 -12.300 -0.761 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.211 -13.649 -0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.437 -16.020 -0.067 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -13.263 -12.616 -1.967 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -13.112 -17.517 -1.137 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -14.954 -14.093 -3.016 1.00 0.00 H new ATOM 0 HH TYR A 11 -15.691 -16.168 -3.267 1.00 0.00 H new ATOM 142 N ARG A 12 -9.376 -11.899 2.004 1.00 0.00 N ATOM 143 CA ARG A 12 -8.667 -10.873 2.777 1.00 0.00 C ATOM 144 C ARG A 12 -7.279 -10.688 2.180 1.00 0.00 C ATOM 145 O ARG A 12 -6.298 -11.175 2.745 1.00 0.00 O ATOM 146 CB ARG A 12 -8.617 -11.252 4.275 1.00 0.00 C ATOM 147 CG ARG A 12 -9.966 -11.086 4.992 1.00 0.00 C ATOM 148 CD ARG A 12 -9.860 -11.417 6.483 1.00 0.00 C ATOM 149 NE ARG A 12 -11.076 -11.011 7.200 1.00 0.00 N ATOM 150 CZ ARG A 12 -11.586 -11.544 8.315 1.00 0.00 C ATOM 151 NH1 ARG A 12 -11.010 -12.581 8.920 1.00 0.00 N ATOM 152 NH2 ARG A 12 -12.689 -11.023 8.836 1.00 0.00 N ATOM 0 H ARG A 12 -8.765 -12.621 1.622 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.199 -9.923 2.719 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.289 -12.287 4.369 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.870 -10.634 4.774 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.319 -10.062 4.871 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.708 -11.736 4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.698 -12.487 6.611 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.995 -10.911 6.911 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.593 -10.229 6.799 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.158 -12.988 8.534 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.420 -12.968 9.770 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.138 -10.225 8.386 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.088 -11.420 9.686 1.00 0.00 H new ATOM 166 N GLN A 13 -7.190 -10.054 1.015 1.00 0.00 N ATOM 167 CA GLN A 13 -5.938 -9.776 0.326 1.00 0.00 C ATOM 168 C GLN A 13 -6.152 -8.640 -0.674 1.00 0.00 C ATOM 169 O GLN A 13 -7.255 -8.461 -1.200 1.00 0.00 O ATOM 170 CB GLN A 13 -5.392 -11.039 -0.370 1.00 0.00 C ATOM 171 CG GLN A 13 -6.256 -11.628 -1.496 1.00 0.00 C ATOM 172 CD GLN A 13 -7.561 -12.225 -0.983 1.00 0.00 C ATOM 173 OE1 GLN A 13 -8.622 -11.628 -1.130 1.00 0.00 O ATOM 174 NE2 GLN A 13 -7.500 -13.386 -0.355 1.00 0.00 N ATOM 0 H GLN A 13 -8.009 -9.711 0.512 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.191 -9.467 1.057 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.410 -10.805 -0.780 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.246 -11.810 0.387 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.479 -10.848 -2.224 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.689 -12.398 -2.019 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.604 -13.861 -0.247 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.349 -13.807 0.022 1.00 0.00 H new ATOM 183 N TYR A 14 -5.089 -7.903 -0.992 1.00 0.00 N ATOM 184 CA TYR A 14 -5.120 -6.770 -1.909 1.00 0.00 C ATOM 185 C TYR A 14 -4.115 -7.025 -3.028 1.00 0.00 C ATOM 186 O TYR A 14 -3.051 -7.614 -2.802 1.00 0.00 O ATOM 187 CB TYR A 14 -4.805 -5.478 -1.143 1.00 0.00 C ATOM 188 CG TYR A 14 -3.399 -5.427 -0.573 1.00 0.00 C ATOM 189 CD1 TYR A 14 -2.349 -4.954 -1.374 1.00 0.00 C ATOM 190 CD2 TYR A 14 -3.119 -5.913 0.717 1.00 0.00 C ATOM 191 CE1 TYR A 14 -1.017 -5.055 -0.959 1.00 0.00 C ATOM 192 CE2 TYR A 14 -1.786 -6.004 1.157 1.00 0.00 C ATOM 193 CZ TYR A 14 -0.728 -5.612 0.301 1.00 0.00 C ATOM 194 OH TYR A 14 0.571 -5.765 0.670 1.00 0.00 O ATOM 0 H TYR A 14 -4.161 -8.083 -0.609 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.110 -6.655 -2.350 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.947 -4.628 -1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.521 -5.367 -0.329 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.573 -4.503 -2.329 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.926 -6.216 1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.219 -4.709 -1.599 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.569 -6.373 2.149 1.00 0.00 H new ATOM 0 HH TYR A 14 0.612 -6.161 1.565 1.00 0.00 H new ATOM 204 N ASN A 15 -4.452 -6.592 -4.239 1.00 0.00 N ATOM 205 CA ASN A 15 -3.534 -6.619 -5.373 1.00 0.00 C ATOM 206 C ASN A 15 -2.552 -5.463 -5.204 1.00 0.00 C ATOM 207 O ASN A 15 -2.922 -4.438 -4.637 1.00 0.00 O ATOM 208 CB ASN A 15 -4.312 -6.465 -6.694 1.00 0.00 C ATOM 209 CG ASN A 15 -5.465 -7.457 -6.788 1.00 0.00 C ATOM 210 OD1 ASN A 15 -5.269 -8.666 -6.670 1.00 0.00 O ATOM 211 ND2 ASN A 15 -6.686 -6.970 -6.910 1.00 0.00 N ATOM 0 H ASN A 15 -5.372 -6.212 -4.462 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.002 -7.570 -5.406 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.699 -5.449 -6.772 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.635 -6.614 -7.535 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.489 -7.599 -6.908 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.827 -5.964 -7.007 1.00 0.00 H new ATOM 218 N SER A 16 -1.354 -5.551 -5.772 1.00 0.00 N ATOM 219 CA SER A 16 -0.354 -4.481 -5.744 1.00 0.00 C ATOM 220 C SER A 16 -0.869 -3.174 -6.372 1.00 0.00 C ATOM 221 O SER A 16 -0.338 -2.100 -6.094 1.00 0.00 O ATOM 222 CB SER A 16 0.909 -4.992 -6.444 1.00 0.00 C ATOM 223 OG SER A 16 1.296 -6.226 -5.859 1.00 0.00 O ATOM 0 H SER A 16 -1.042 -6.382 -6.275 1.00 0.00 H new ATOM 0 HA SER A 16 -0.128 -4.229 -4.708 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.722 -5.123 -7.510 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.713 -4.262 -6.349 1.00 0.00 H new ATOM 0 HG SER A 16 2.103 -6.560 -6.303 1.00 0.00 H new ATOM 229 N GLU A 17 -1.922 -3.290 -7.182 1.00 0.00 N ATOM 230 CA GLU A 17 -2.710 -2.234 -7.794 1.00 0.00 C ATOM 231 C GLU A 17 -3.574 -1.548 -6.730 1.00 0.00 C ATOM 232 O GLU A 17 -3.491 -0.334 -6.573 1.00 0.00 O ATOM 233 CB GLU A 17 -3.594 -2.877 -8.879 1.00 0.00 C ATOM 234 CG GLU A 17 -2.765 -3.543 -9.990 1.00 0.00 C ATOM 235 CD GLU A 17 -3.590 -4.444 -10.907 1.00 0.00 C ATOM 236 OE1 GLU A 17 -4.838 -4.446 -10.862 1.00 0.00 O ATOM 237 OE2 GLU A 17 -2.972 -5.284 -11.604 1.00 0.00 O ATOM 0 H GLU A 17 -2.272 -4.211 -7.446 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.064 -1.478 -8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.245 -3.621 -8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.239 -2.115 -9.317 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.286 -2.769 -10.589 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.969 -4.132 -9.535 1.00 0.00 H new ATOM 244 N ILE A 18 -4.374 -2.319 -5.982 1.00 0.00 N ATOM 245 CA ILE A 18 -5.264 -1.855 -4.910 1.00 0.00 C ATOM 246 C ILE A 18 -4.475 -1.067 -3.867 1.00 0.00 C ATOM 247 O ILE A 18 -4.974 -0.103 -3.289 1.00 0.00 O ATOM 248 CB ILE A 18 -5.960 -3.079 -4.260 1.00 0.00 C ATOM 249 CG1 ILE A 18 -7.005 -3.710 -5.195 1.00 0.00 C ATOM 250 CG2 ILE A 18 -6.571 -2.793 -2.874 1.00 0.00 C ATOM 251 CD1 ILE A 18 -8.341 -2.978 -5.101 1.00 0.00 C ATOM 0 H ILE A 18 -4.420 -3.329 -6.114 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.022 -1.193 -5.329 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.159 -3.800 -4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.643 -3.681 -6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.143 -4.760 -4.935 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.038 -3.699 -2.488 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.786 -2.470 -2.190 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.321 -2.007 -2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.060 -3.446 -5.773 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.713 -3.030 -4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.205 -1.935 -5.385 1.00 0.00 H new ATOM 263 N LEU A 19 -3.250 -1.507 -3.594 1.00 0.00 N ATOM 264 CA LEU A 19 -2.394 -0.845 -2.634 1.00 0.00 C ATOM 265 C LEU A 19 -2.125 0.604 -3.042 1.00 0.00 C ATOM 266 O LEU A 19 -2.153 1.479 -2.182 1.00 0.00 O ATOM 267 CB LEU A 19 -1.118 -1.675 -2.473 1.00 0.00 C ATOM 268 CG LEU A 19 -0.064 -1.036 -1.565 1.00 0.00 C ATOM 269 CD1 LEU A 19 -0.615 -0.786 -0.155 1.00 0.00 C ATOM 270 CD2 LEU A 19 1.132 -1.986 -1.478 1.00 0.00 C ATOM 0 H LEU A 19 -2.832 -2.327 -4.032 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.886 -0.783 -1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.383 -2.653 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.680 -1.842 -3.457 1.00 0.00 H new ATOM 0 HG LEU A 19 0.228 -0.074 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.159 -0.332 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.473 -0.116 -0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.924 -1.733 0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.897 -1.550 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.809 -2.940 -1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.544 -2.145 -2.475 1.00 0.00 H new ATOM 282 N GLU A 20 -1.888 0.865 -4.329 1.00 0.00 N ATOM 283 CA GLU A 20 -1.569 2.204 -4.812 1.00 0.00 C ATOM 284 C GLU A 20 -2.751 3.146 -4.613 1.00 0.00 C ATOM 285 O GLU A 20 -2.564 4.301 -4.241 1.00 0.00 O ATOM 286 CB GLU A 20 -1.232 2.172 -6.307 1.00 0.00 C ATOM 287 CG GLU A 20 0.023 1.370 -6.642 1.00 0.00 C ATOM 288 CD GLU A 20 1.282 2.214 -6.475 1.00 0.00 C ATOM 289 OE1 GLU A 20 1.611 2.615 -5.337 1.00 0.00 O ATOM 290 OE2 GLU A 20 1.982 2.413 -7.498 1.00 0.00 O ATOM 0 H GLU A 20 -1.912 0.155 -5.061 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.711 2.560 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.077 1.750 -6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.103 3.194 -6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.081 0.495 -5.995 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.039 1.005 -7.667 1.00 0.00 H new ATOM 297 N GLU A 21 -3.961 2.642 -4.846 1.00 0.00 N ATOM 298 CA GLU A 21 -5.221 3.322 -4.632 1.00 0.00 C ATOM 299 C GLU A 21 -5.285 3.832 -3.203 1.00 0.00 C ATOM 300 O GLU A 21 -5.347 5.039 -2.975 1.00 0.00 O ATOM 301 CB GLU A 21 -6.371 2.374 -4.909 1.00 0.00 C ATOM 302 CG GLU A 21 -6.394 1.628 -6.244 1.00 0.00 C ATOM 303 CD GLU A 21 -6.965 2.440 -7.399 1.00 0.00 C ATOM 304 OE1 GLU A 21 -6.520 3.579 -7.655 1.00 0.00 O ATOM 305 OE2 GLU A 21 -7.885 1.923 -8.074 1.00 0.00 O ATOM 0 H GLU A 21 -4.087 1.697 -5.209 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.299 4.169 -5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.387 1.630 -4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.297 2.944 -4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.378 1.323 -6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.981 0.717 -6.129 1.00 0.00 H new ATOM 312 N ALA A 22 -5.216 2.900 -2.250 1.00 0.00 N ATOM 313 CA ALA A 22 -5.342 3.154 -0.822 1.00 0.00 C ATOM 314 C ALA A 22 -4.223 4.046 -0.295 1.00 0.00 C ATOM 315 O ALA A 22 -4.341 4.603 0.798 1.00 0.00 O ATOM 316 CB ALA A 22 -5.305 1.811 -0.101 1.00 0.00 C ATOM 0 H ALA A 22 -5.065 1.914 -2.464 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.281 3.677 -0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.398 1.972 0.973 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.131 1.189 -0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.360 1.310 -0.313 1.00 0.00 H new ATOM 322 N ILE A 23 -3.144 4.189 -1.056 1.00 0.00 N ATOM 323 CA ILE A 23 -2.076 5.125 -0.742 1.00 0.00 C ATOM 324 C ILE A 23 -2.476 6.498 -1.274 1.00 0.00 C ATOM 325 O ILE A 23 -2.502 7.459 -0.506 1.00 0.00 O ATOM 326 CB ILE A 23 -0.758 4.571 -1.306 1.00 0.00 C ATOM 327 CG1 ILE A 23 -0.291 3.427 -0.387 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.349 5.629 -1.421 1.00 0.00 C ATOM 329 CD1 ILE A 23 0.686 2.515 -1.117 1.00 0.00 C ATOM 0 H ILE A 23 -2.987 3.656 -1.911 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.916 5.245 0.330 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.948 4.221 -2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.184 3.840 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.152 2.850 -0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.251 5.170 -1.826 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.020 6.429 -2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.563 6.040 -0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.004 1.714 -0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.199 2.086 -1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.556 3.091 -1.432 1.00 0.00 H new ATOM 341 N SER A 24 -2.824 6.599 -2.555 1.00 0.00 N ATOM 342 CA SER A 24 -3.220 7.834 -3.206 1.00 0.00 C ATOM 343 C SER A 24 -4.354 8.556 -2.473 1.00 0.00 C ATOM 344 O SER A 24 -4.225 9.761 -2.259 1.00 0.00 O ATOM 345 CB SER A 24 -3.566 7.530 -4.661 1.00 0.00 C ATOM 346 OG SER A 24 -2.362 7.395 -5.393 1.00 0.00 O ATOM 0 H SER A 24 -2.837 5.795 -3.183 1.00 0.00 H new ATOM 0 HA SER A 24 -2.383 8.532 -3.175 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.153 6.614 -4.727 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.176 8.330 -5.080 1.00 0.00 H new ATOM 0 HG SER A 24 -2.569 7.198 -6.330 1.00 0.00 H new ATOM 352 N VAL A 25 -5.411 7.866 -2.024 1.00 0.00 N ATOM 353 CA VAL A 25 -6.446 8.473 -1.183 1.00 0.00 C ATOM 354 C VAL A 25 -5.812 9.171 0.027 1.00 0.00 C ATOM 355 O VAL A 25 -5.999 10.368 0.222 1.00 0.00 O ATOM 356 CB VAL A 25 -7.531 7.441 -0.776 1.00 0.00 C ATOM 357 CG1 VAL A 25 -8.716 7.489 -1.741 1.00 0.00 C ATOM 358 CG2 VAL A 25 -7.052 6.023 -0.587 1.00 0.00 C ATOM 0 H VAL A 25 -5.570 6.880 -2.232 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.960 9.237 -1.767 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.844 7.756 0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.464 6.757 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.157 8.486 -1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.373 7.258 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.893 5.390 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.620 5.658 -1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.297 5.996 0.199 1.00 0.00 H new ATOM 368 N VAL A 26 -5.063 8.442 0.844 1.00 0.00 N ATOM 369 CA VAL A 26 -4.394 8.913 2.051 1.00 0.00 C ATOM 370 C VAL A 26 -3.491 10.109 1.742 1.00 0.00 C ATOM 371 O VAL A 26 -3.590 11.128 2.430 1.00 0.00 O ATOM 372 CB VAL A 26 -3.650 7.735 2.721 1.00 0.00 C ATOM 373 CG1 VAL A 26 -2.805 8.155 3.932 1.00 0.00 C ATOM 374 CG2 VAL A 26 -4.671 6.697 3.200 1.00 0.00 C ATOM 0 H VAL A 26 -4.896 7.450 0.673 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.130 9.277 2.768 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.976 7.330 1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.311 7.279 4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.053 8.879 3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.450 8.605 4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.149 5.865 3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.348 7.157 3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.243 6.329 2.348 1.00 0.00 H new ATOM 384 N MET A 27 -2.645 10.023 0.715 1.00 0.00 N ATOM 385 CA MET A 27 -1.734 11.093 0.321 1.00 0.00 C ATOM 386 C MET A 27 -2.516 12.359 -0.016 1.00 0.00 C ATOM 387 O MET A 27 -2.280 13.402 0.597 1.00 0.00 O ATOM 388 CB MET A 27 -0.881 10.649 -0.868 1.00 0.00 C ATOM 389 CG MET A 27 0.140 9.593 -0.457 1.00 0.00 C ATOM 390 SD MET A 27 1.099 9.001 -1.866 1.00 0.00 S ATOM 391 CE MET A 27 2.571 8.484 -0.963 1.00 0.00 C ATOM 0 H MET A 27 -2.574 9.194 0.125 1.00 0.00 H new ATOM 0 HA MET A 27 -1.070 11.315 1.156 1.00 0.00 H new ATOM 0 HB2 MET A 27 -1.525 10.249 -1.651 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.365 11.512 -1.290 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.814 10.011 0.291 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.374 8.753 0.011 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.426 8.470 -1.639 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.763 9.183 -0.149 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.415 7.485 -0.555 1.00 0.00 H new ATOM 401 N SER A 28 -3.501 12.255 -0.910 1.00 0.00 N ATOM 402 CA SER A 28 -4.409 13.323 -1.288 1.00 0.00 C ATOM 403 C SER A 28 -5.266 13.839 -0.124 1.00 0.00 C ATOM 404 O SER A 28 -5.985 14.830 -0.297 1.00 0.00 O ATOM 405 CB SER A 28 -5.314 12.772 -2.389 1.00 0.00 C ATOM 406 OG SER A 28 -4.563 12.394 -3.526 1.00 0.00 O ATOM 0 H SER A 28 -3.690 11.385 -1.407 1.00 0.00 H new ATOM 0 HA SER A 28 -3.819 14.176 -1.623 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.867 11.911 -2.012 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.050 13.526 -2.670 1.00 0.00 H new ATOM 0 HG SER A 28 -4.272 11.463 -3.431 1.00 0.00 H new ATOM 412 N GLY A 29 -5.228 13.203 1.047 1.00 0.00 N ATOM 413 CA GLY A 29 -5.980 13.632 2.206 1.00 0.00 C ATOM 414 C GLY A 29 -7.422 13.146 2.173 1.00 0.00 C ATOM 415 O GLY A 29 -8.267 13.714 2.860 1.00 0.00 O ATOM 0 H GLY A 29 -4.666 12.368 1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.495 13.261 3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.967 14.720 2.262 1.00 0.00 H new ATOM 419 N LYS A 30 -7.754 12.125 1.377 1.00 0.00 N ATOM 420 CA LYS A 30 -9.117 11.597 1.345 1.00 0.00 C ATOM 421 C LYS A 30 -9.433 10.897 2.656 1.00 0.00 C ATOM 422 O LYS A 30 -10.574 10.918 3.113 1.00 0.00 O ATOM 423 CB LYS A 30 -9.291 10.646 0.150 1.00 0.00 C ATOM 424 CG LYS A 30 -9.095 11.339 -1.211 1.00 0.00 C ATOM 425 CD LYS A 30 -9.978 12.579 -1.339 1.00 0.00 C ATOM 426 CE LYS A 30 -10.085 13.037 -2.791 1.00 0.00 C ATOM 427 NZ LYS A 30 -11.195 13.991 -2.955 1.00 0.00 N ATOM 0 H LYS A 30 -7.102 11.652 0.751 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.819 12.422 1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.578 9.827 0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.288 10.206 0.186 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.049 11.622 -1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.329 10.640 -2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.973 12.361 -0.950 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.567 13.385 -0.731 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.150 13.503 -3.100 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.241 12.175 -3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.251 14.291 -3.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.088 13.535 -2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.030 14.822 -2.352 1.00 0.00 H new ATOM 441 N MET A 31 -8.425 10.297 3.277 1.00 0.00 N ATOM 442 CA MET A 31 -8.510 9.713 4.599 1.00 0.00 C ATOM 443 C MET A 31 -7.104 9.634 5.195 1.00 0.00 C ATOM 444 O MET A 31 -6.191 10.296 4.697 1.00 0.00 O ATOM 445 CB MET A 31 -9.223 8.366 4.507 1.00 0.00 C ATOM 446 CG MET A 31 -8.547 7.318 3.643 1.00 0.00 C ATOM 447 SD MET A 31 -9.722 6.059 3.101 1.00 0.00 S ATOM 448 CE MET A 31 -10.491 6.895 1.729 1.00 0.00 C ATOM 0 H MET A 31 -7.500 10.203 2.857 1.00 0.00 H new ATOM 0 HA MET A 31 -9.103 10.328 5.276 1.00 0.00 H new ATOM 0 HB2 MET A 31 -9.331 7.964 5.514 1.00 0.00 H new ATOM 0 HB3 MET A 31 -10.228 8.534 4.121 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.096 7.796 2.774 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.739 6.848 4.203 1.00 0.00 H new ATOM 0 HE1 MET A 31 -11.570 6.746 1.771 1.00 0.00 H new ATOM 0 HE2 MET A 31 -10.270 7.961 1.782 1.00 0.00 H new ATOM 0 HE3 MET A 31 -10.105 6.490 0.794 1.00 0.00 H new ATOM 458 N SER A 32 -6.932 8.854 6.258 1.00 0.00 N ATOM 459 CA SER A 32 -5.650 8.546 6.874 1.00 0.00 C ATOM 460 C SER A 32 -5.390 7.046 6.745 1.00 0.00 C ATOM 461 O SER A 32 -6.260 6.311 6.261 1.00 0.00 O ATOM 462 CB SER A 32 -5.665 9.027 8.326 1.00 0.00 C ATOM 463 OG SER A 32 -6.763 8.471 9.026 1.00 0.00 O ATOM 0 H SER A 32 -7.715 8.402 6.731 1.00 0.00 H new ATOM 0 HA SER A 32 -4.832 9.063 6.373 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.734 8.745 8.817 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.723 10.115 8.353 1.00 0.00 H new ATOM 0 HG SER A 32 -6.755 8.789 9.953 1.00 0.00 H new ATOM 469 N VAL A 33 -4.208 6.602 7.181 1.00 0.00 N ATOM 470 CA VAL A 33 -3.766 5.216 7.114 1.00 0.00 C ATOM 471 C VAL A 33 -4.837 4.315 7.727 1.00 0.00 C ATOM 472 O VAL A 33 -5.342 3.430 7.043 1.00 0.00 O ATOM 473 CB VAL A 33 -2.380 5.075 7.793 1.00 0.00 C ATOM 474 CG1 VAL A 33 -1.846 3.636 7.857 1.00 0.00 C ATOM 475 CG2 VAL A 33 -1.329 5.929 7.065 1.00 0.00 C ATOM 0 H VAL A 33 -3.515 7.220 7.602 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.637 4.899 6.079 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.541 5.416 8.816 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.872 3.631 8.347 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.541 3.015 8.423 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.745 3.240 6.846 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.363 5.816 7.558 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.248 5.601 6.029 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.629 6.976 7.092 1.00 0.00 H new ATOM 485 N SER A 34 -5.226 4.564 8.978 1.00 0.00 N ATOM 486 CA SER A 34 -6.168 3.710 9.696 1.00 0.00 C ATOM 487 C SER A 34 -7.490 3.544 8.938 1.00 0.00 C ATOM 488 O SER A 34 -8.014 2.437 8.810 1.00 0.00 O ATOM 489 CB SER A 34 -6.389 4.310 11.087 1.00 0.00 C ATOM 490 OG SER A 34 -6.479 3.298 12.066 1.00 0.00 O ATOM 0 H SER A 34 -4.896 5.363 9.520 1.00 0.00 H new ATOM 0 HA SER A 34 -5.750 2.707 9.786 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.568 4.984 11.331 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.302 4.905 11.089 1.00 0.00 H new ATOM 0 HG SER A 34 -6.618 3.706 12.946 1.00 0.00 H new ATOM 496 N LYS A 35 -8.010 4.650 8.404 1.00 0.00 N ATOM 497 CA LYS A 35 -9.249 4.665 7.652 1.00 0.00 C ATOM 498 C LYS A 35 -9.107 3.800 6.389 1.00 0.00 C ATOM 499 O LYS A 35 -9.748 2.748 6.324 1.00 0.00 O ATOM 500 CB LYS A 35 -9.690 6.105 7.463 1.00 0.00 C ATOM 501 CG LYS A 35 -10.943 6.157 6.586 1.00 0.00 C ATOM 502 CD LYS A 35 -11.779 7.404 6.821 1.00 0.00 C ATOM 503 CE LYS A 35 -12.702 7.606 5.611 1.00 0.00 C ATOM 504 NZ LYS A 35 -13.407 8.903 5.601 1.00 0.00 N ATOM 0 H LYS A 35 -7.572 5.567 8.487 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.073 4.194 8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.895 6.562 8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.889 6.682 7.001 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.648 6.116 5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.553 5.275 6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.367 7.300 7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.134 8.273 6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.112 7.518 4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.439 6.804 5.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.009 8.964 4.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.998 8.984 6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.711 9.676 5.588 1.00 0.00 H new ATOM 518 N ALA A 36 -8.306 4.207 5.392 1.00 0.00 N ATOM 519 CA ALA A 36 -8.118 3.470 4.143 1.00 0.00 C ATOM 520 C ALA A 36 -7.698 2.024 4.323 1.00 0.00 C ATOM 521 O ALA A 36 -8.146 1.203 3.529 1.00 0.00 O ATOM 522 CB ALA A 36 -7.030 4.147 3.295 1.00 0.00 C ATOM 0 H ALA A 36 -7.765 5.071 5.436 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.096 3.480 3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.895 3.593 2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.330 5.170 3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.092 4.159 3.850 1.00 0.00 H new ATOM 528 N GLN A 37 -6.881 1.691 5.324 1.00 0.00 N ATOM 529 CA GLN A 37 -6.532 0.316 5.639 1.00 0.00 C ATOM 530 C GLN A 37 -7.801 -0.531 5.597 1.00 0.00 C ATOM 531 O GLN A 37 -7.854 -1.519 4.865 1.00 0.00 O ATOM 532 CB GLN A 37 -5.796 0.298 6.992 1.00 0.00 C ATOM 533 CG GLN A 37 -5.974 -0.982 7.834 1.00 0.00 C ATOM 534 CD GLN A 37 -6.509 -0.755 9.245 1.00 0.00 C ATOM 535 OE1 GLN A 37 -6.061 0.114 9.989 1.00 0.00 O ATOM 536 NE2 GLN A 37 -7.436 -1.593 9.678 1.00 0.00 N ATOM 0 H GLN A 37 -6.443 2.377 5.939 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.849 -0.120 4.910 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.732 0.444 6.808 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.137 1.149 7.582 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.652 -1.654 7.308 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.012 -1.490 7.903 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.804 -2.312 9.056 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.783 -1.520 10.634 1.00 0.00 H new ATOM 545 N SER A 38 -8.812 -0.136 6.370 1.00 0.00 N ATOM 546 CA SER A 38 -10.020 -0.915 6.499 1.00 0.00 C ATOM 547 C SER A 38 -10.838 -0.864 5.196 1.00 0.00 C ATOM 548 O SER A 38 -11.406 -1.879 4.787 1.00 0.00 O ATOM 549 CB SER A 38 -10.789 -0.366 7.704 1.00 0.00 C ATOM 550 OG SER A 38 -12.071 -0.942 7.841 1.00 0.00 O ATOM 0 H SER A 38 -8.808 0.726 6.915 1.00 0.00 H new ATOM 0 HA SER A 38 -9.798 -1.969 6.667 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.214 -0.550 8.611 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.890 0.715 7.604 1.00 0.00 H new ATOM 0 HG SER A 38 -12.519 -0.560 8.624 1.00 0.00 H new ATOM 556 N ILE A 39 -10.903 0.302 4.534 1.00 0.00 N ATOM 557 CA ILE A 39 -11.711 0.492 3.325 1.00 0.00 C ATOM 558 C ILE A 39 -11.214 -0.433 2.204 1.00 0.00 C ATOM 559 O ILE A 39 -12.012 -1.084 1.524 1.00 0.00 O ATOM 560 CB ILE A 39 -11.779 1.982 2.908 1.00 0.00 C ATOM 561 CG1 ILE A 39 -12.414 2.785 4.066 1.00 0.00 C ATOM 562 CG2 ILE A 39 -12.572 2.172 1.599 1.00 0.00 C ATOM 563 CD1 ILE A 39 -12.856 4.207 3.732 1.00 0.00 C ATOM 0 H ILE A 39 -10.396 1.138 4.824 1.00 0.00 H new ATOM 0 HA ILE A 39 -12.740 0.207 3.541 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.771 2.347 2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.280 2.233 4.432 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.696 2.832 4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.597 3.230 1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.090 1.613 0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.590 1.807 1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.286 4.672 4.619 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.995 4.787 3.399 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.603 4.179 2.939 1.00 0.00 H new ATOM 575 N TYR A 40 -9.899 -0.475 2.004 1.00 0.00 N ATOM 576 CA TYR A 40 -9.257 -1.148 0.885 1.00 0.00 C ATOM 577 C TYR A 40 -8.862 -2.590 1.239 1.00 0.00 C ATOM 578 O TYR A 40 -8.663 -3.414 0.339 1.00 0.00 O ATOM 579 CB TYR A 40 -8.059 -0.291 0.455 1.00 0.00 C ATOM 580 CG TYR A 40 -8.443 1.000 -0.265 1.00 0.00 C ATOM 581 CD1 TYR A 40 -8.853 2.141 0.459 1.00 0.00 C ATOM 582 CD2 TYR A 40 -8.295 1.102 -1.660 1.00 0.00 C ATOM 583 CE1 TYR A 40 -9.183 3.343 -0.191 1.00 0.00 C ATOM 584 CE2 TYR A 40 -8.613 2.299 -2.317 1.00 0.00 C ATOM 585 CZ TYR A 40 -9.115 3.397 -1.597 1.00 0.00 C ATOM 586 OH TYR A 40 -9.551 4.508 -2.239 1.00 0.00 O ATOM 0 H TYR A 40 -9.234 -0.028 2.636 1.00 0.00 H new ATOM 0 HA TYR A 40 -9.950 -1.244 0.049 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.469 -0.041 1.337 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.419 -0.883 -0.199 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.914 2.089 1.536 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.935 0.256 -2.227 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.484 4.210 0.378 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.471 2.378 -3.385 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.438 4.393 -3.206 1.00 0.00 H new ATOM 596 N GLY A 41 -8.791 -2.927 2.531 1.00 0.00 N ATOM 597 CA GLY A 41 -8.463 -4.258 3.038 1.00 0.00 C ATOM 598 C GLY A 41 -6.950 -4.476 3.129 1.00 0.00 C ATOM 599 O GLY A 41 -6.472 -5.610 3.061 1.00 0.00 O ATOM 0 H GLY A 41 -8.967 -2.254 3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.909 -4.391 4.023 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.900 -5.013 2.385 1.00 0.00 H new ATOM 603 N ILE A 42 -6.188 -3.395 3.289 1.00 0.00 N ATOM 604 CA ILE A 42 -4.733 -3.405 3.364 1.00 0.00 C ATOM 605 C ILE A 42 -4.379 -3.558 4.853 1.00 0.00 C ATOM 606 O ILE A 42 -5.067 -2.971 5.690 1.00 0.00 O ATOM 607 CB ILE A 42 -4.176 -2.060 2.834 1.00 0.00 C ATOM 608 CG1 ILE A 42 -4.811 -1.505 1.551 1.00 0.00 C ATOM 609 CG2 ILE A 42 -2.646 -2.140 2.690 1.00 0.00 C ATOM 610 CD1 ILE A 42 -4.538 -2.268 0.266 1.00 0.00 C ATOM 0 H ILE A 42 -6.583 -2.458 3.372 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.308 -4.211 2.767 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.463 -1.335 3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.890 -1.462 1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.466 -0.480 1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.265 -1.189 2.317 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.200 -2.353 3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.387 -2.934 1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.042 -1.774 -0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.465 -2.291 0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.911 -3.288 0.362 1.00 0.00 H new ATOM 622 N PRO A 43 -3.323 -4.299 5.233 1.00 0.00 N ATOM 623 CA PRO A 43 -2.807 -4.246 6.593 1.00 0.00 C ATOM 624 C PRO A 43 -2.320 -2.839 6.921 1.00 0.00 C ATOM 625 O PRO A 43 -1.655 -2.214 6.092 1.00 0.00 O ATOM 626 CB PRO A 43 -1.622 -5.211 6.649 1.00 0.00 C ATOM 627 CG PRO A 43 -1.567 -5.916 5.296 1.00 0.00 C ATOM 628 CD PRO A 43 -2.514 -5.148 4.383 1.00 0.00 C ATOM 0 HA PRO A 43 -3.584 -4.514 7.309 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -0.694 -4.673 6.843 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.748 -5.932 7.457 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.553 -5.914 4.896 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.872 -6.958 5.387 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.956 -4.552 3.661 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.141 -5.833 3.813 1.00 0.00 H new ATOM 636 N HIS A 44 -2.560 -2.380 8.149 1.00 0.00 N ATOM 637 CA HIS A 44 -2.110 -1.067 8.590 1.00 0.00 C ATOM 638 C HIS A 44 -0.589 -0.965 8.489 1.00 0.00 C ATOM 639 O HIS A 44 -0.104 -0.016 7.889 1.00 0.00 O ATOM 640 CB HIS A 44 -2.614 -0.809 10.009 1.00 0.00 C ATOM 641 CG HIS A 44 -2.539 0.621 10.474 1.00 0.00 C ATOM 642 ND1 HIS A 44 -3.627 1.417 10.743 1.00 0.00 N ATOM 643 CD2 HIS A 44 -1.414 1.333 10.791 1.00 0.00 C ATOM 644 CE1 HIS A 44 -3.173 2.582 11.229 1.00 0.00 C ATOM 645 NE2 HIS A 44 -1.830 2.579 11.283 1.00 0.00 N ATOM 0 H HIS A 44 -3.069 -2.906 8.859 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.523 -0.295 7.941 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.651 -1.140 10.073 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.039 -1.427 10.698 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.605 1.166 10.599 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.393 0.997 10.682 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -3.799 3.407 11.534 1.00 0.00 H new ATOM 653 N SER A 45 0.162 -1.940 9.014 1.00 0.00 N ATOM 654 CA SER A 45 1.626 -1.890 9.028 1.00 0.00 C ATOM 655 C SER A 45 2.202 -1.802 7.610 1.00 0.00 C ATOM 656 O SER A 45 3.226 -1.149 7.399 1.00 0.00 O ATOM 657 CB SER A 45 2.206 -3.111 9.758 1.00 0.00 C ATOM 658 OG SER A 45 1.481 -3.408 10.939 1.00 0.00 O ATOM 0 H SER A 45 -0.227 -2.782 9.439 1.00 0.00 H new ATOM 0 HA SER A 45 1.914 -0.987 9.566 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.189 -3.975 9.093 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.250 -2.923 10.009 1.00 0.00 H new ATOM 0 HG SER A 45 1.876 -4.191 11.377 1.00 0.00 H new ATOM 664 N THR A 46 1.552 -2.438 6.628 1.00 0.00 N ATOM 665 CA THR A 46 1.890 -2.266 5.227 1.00 0.00 C ATOM 666 C THR A 46 1.551 -0.842 4.798 1.00 0.00 C ATOM 667 O THR A 46 2.462 -0.118 4.414 1.00 0.00 O ATOM 668 CB THR A 46 1.194 -3.343 4.387 1.00 0.00 C ATOM 669 OG1 THR A 46 1.711 -4.609 4.760 1.00 0.00 O ATOM 670 CG2 THR A 46 1.399 -3.153 2.882 1.00 0.00 C ATOM 0 H THR A 46 0.779 -3.084 6.791 1.00 0.00 H new ATOM 0 HA THR A 46 2.960 -2.398 5.067 1.00 0.00 H new ATOM 0 HB THR A 46 0.124 -3.268 4.580 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.396 -5.290 4.129 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.883 -3.946 2.341 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.997 -2.186 2.579 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.464 -3.191 2.652 1.00 0.00 H new ATOM 678 N LEU A 47 0.279 -0.439 4.844 1.00 0.00 N ATOM 679 CA LEU A 47 -0.176 0.837 4.307 1.00 0.00 C ATOM 680 C LEU A 47 0.663 1.988 4.849 1.00 0.00 C ATOM 681 O LEU A 47 1.122 2.814 4.074 1.00 0.00 O ATOM 682 CB LEU A 47 -1.655 1.051 4.647 1.00 0.00 C ATOM 683 CG LEU A 47 -2.221 2.301 3.942 1.00 0.00 C ATOM 684 CD1 LEU A 47 -2.473 2.025 2.466 1.00 0.00 C ATOM 685 CD2 LEU A 47 -3.585 2.630 4.526 1.00 0.00 C ATOM 0 H LEU A 47 -0.467 -0.997 5.259 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.059 0.815 3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.229 0.173 4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.770 1.157 5.726 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.498 3.106 4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.872 2.921 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.537 1.745 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.191 1.211 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.989 3.513 4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.259 1.787 4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.486 2.826 5.594 1.00 0.00 H new ATOM 697 N GLU A 48 0.887 2.013 6.160 1.00 0.00 N ATOM 698 CA GLU A 48 1.675 2.985 6.883 1.00 0.00 C ATOM 699 C GLU A 48 3.049 3.131 6.218 1.00 0.00 C ATOM 700 O GLU A 48 3.335 4.171 5.624 1.00 0.00 O ATOM 701 CB GLU A 48 1.730 2.479 8.334 1.00 0.00 C ATOM 702 CG GLU A 48 2.229 3.520 9.317 1.00 0.00 C ATOM 703 CD GLU A 48 2.574 2.870 10.656 1.00 0.00 C ATOM 704 OE1 GLU A 48 1.732 2.155 11.241 1.00 0.00 O ATOM 705 OE2 GLU A 48 3.713 3.062 11.144 1.00 0.00 O ATOM 0 H GLU A 48 0.493 1.304 6.779 1.00 0.00 H new ATOM 0 HA GLU A 48 1.247 3.988 6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.734 2.154 8.635 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.379 1.605 8.382 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.109 4.020 8.911 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.467 4.285 9.463 1.00 0.00 H new ATOM 712 N TYR A 49 3.856 2.065 6.240 1.00 0.00 N ATOM 713 CA TYR A 49 5.150 1.985 5.569 1.00 0.00 C ATOM 714 C TYR A 49 5.046 2.471 4.126 1.00 0.00 C ATOM 715 O TYR A 49 5.844 3.292 3.694 1.00 0.00 O ATOM 716 CB TYR A 49 5.627 0.521 5.599 1.00 0.00 C ATOM 717 CG TYR A 49 6.720 0.131 4.616 1.00 0.00 C ATOM 718 CD1 TYR A 49 6.329 -0.341 3.356 1.00 0.00 C ATOM 719 CD2 TYR A 49 8.089 0.193 4.936 1.00 0.00 C ATOM 720 CE1 TYR A 49 7.269 -0.750 2.404 1.00 0.00 C ATOM 721 CE2 TYR A 49 9.050 -0.227 3.993 1.00 0.00 C ATOM 722 CZ TYR A 49 8.641 -0.700 2.723 1.00 0.00 C ATOM 723 OH TYR A 49 9.546 -1.115 1.797 1.00 0.00 O ATOM 0 H TYR A 49 3.616 1.210 6.742 1.00 0.00 H new ATOM 0 HA TYR A 49 5.865 2.625 6.086 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.982 0.301 6.606 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.764 -0.120 5.418 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.278 -0.390 3.114 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.403 0.561 5.901 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.947 -1.100 1.435 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.101 -0.188 4.240 1.00 0.00 H new ATOM 0 HH TYR A 49 9.754 -0.376 1.188 1.00 0.00 H new ATOM 733 N LYS A 50 4.086 1.956 3.359 1.00 0.00 N ATOM 734 CA LYS A 50 3.986 2.176 1.934 1.00 0.00 C ATOM 735 C LYS A 50 3.698 3.639 1.617 1.00 0.00 C ATOM 736 O LYS A 50 4.315 4.169 0.700 1.00 0.00 O ATOM 737 CB LYS A 50 2.901 1.245 1.390 1.00 0.00 C ATOM 738 CG LYS A 50 3.259 -0.240 1.334 1.00 0.00 C ATOM 739 CD LYS A 50 4.393 -0.520 0.348 1.00 0.00 C ATOM 740 CE LYS A 50 4.575 -2.029 0.200 1.00 0.00 C ATOM 741 NZ LYS A 50 5.301 -2.378 -1.034 1.00 0.00 N ATOM 0 H LYS A 50 3.344 1.362 3.729 1.00 0.00 H new ATOM 0 HA LYS A 50 4.936 1.948 1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.009 1.360 2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.639 1.573 0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.551 -0.580 2.328 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.378 -0.814 1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.167 -0.073 -0.620 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.318 -0.064 0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.119 -2.415 1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.599 -2.513 0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.403 -3.411 -1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.770 -2.032 -1.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.243 -1.937 -1.019 1.00 0.00 H new ATOM 755 N VAL A 51 2.846 4.318 2.380 1.00 0.00 N ATOM 756 CA VAL A 51 2.661 5.763 2.290 1.00 0.00 C ATOM 757 C VAL A 51 4.014 6.450 2.546 1.00 0.00 C ATOM 758 O VAL A 51 4.464 7.264 1.740 1.00 0.00 O ATOM 759 CB VAL A 51 1.555 6.175 3.289 1.00 0.00 C ATOM 760 CG1 VAL A 51 1.361 7.686 3.410 1.00 0.00 C ATOM 761 CG2 VAL A 51 0.175 5.617 2.908 1.00 0.00 C ATOM 0 H VAL A 51 2.258 3.875 3.086 1.00 0.00 H new ATOM 0 HA VAL A 51 2.332 6.077 1.300 1.00 0.00 H new ATOM 0 HB VAL A 51 1.913 5.760 4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.569 7.895 4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.289 8.146 3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.087 8.097 2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.563 5.937 3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.109 5.989 1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.216 4.528 2.886 1.00 0.00 H new ATOM 771 N LYS A 52 4.676 6.099 3.652 1.00 0.00 N ATOM 772 CA LYS A 52 5.921 6.696 4.169 1.00 0.00 C ATOM 773 C LYS A 52 7.141 6.377 3.313 1.00 0.00 C ATOM 774 O LYS A 52 8.223 6.914 3.532 1.00 0.00 O ATOM 775 CB LYS A 52 6.083 6.210 5.619 1.00 0.00 C ATOM 776 CG LYS A 52 4.995 6.884 6.476 1.00 0.00 C ATOM 777 CD LYS A 52 4.485 6.041 7.650 1.00 0.00 C ATOM 778 CE LYS A 52 4.836 6.574 9.043 1.00 0.00 C ATOM 779 NZ LYS A 52 6.289 6.640 9.304 1.00 0.00 N ATOM 0 H LYS A 52 4.340 5.344 4.251 1.00 0.00 H new ATOM 0 HA LYS A 52 5.849 7.783 4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.989 5.125 5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.074 6.462 5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.389 7.823 6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.151 7.135 5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.401 5.960 7.573 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.888 5.033 7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.409 7.570 9.160 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.369 5.937 9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.453 7.009 10.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.700 5.688 9.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.738 7.270 8.609 1.00 0.00 H new ATOM 793 N GLU A 53 6.973 5.473 2.366 1.00 0.00 N ATOM 794 CA GLU A 53 7.903 5.085 1.331 1.00 0.00 C ATOM 795 C GLU A 53 7.585 5.888 0.052 1.00 0.00 C ATOM 796 O GLU A 53 8.413 6.657 -0.445 1.00 0.00 O ATOM 797 CB GLU A 53 7.742 3.562 1.201 1.00 0.00 C ATOM 798 CG GLU A 53 8.529 2.927 0.072 1.00 0.00 C ATOM 799 CD GLU A 53 9.886 2.338 0.473 1.00 0.00 C ATOM 800 OE1 GLU A 53 10.662 2.937 1.260 1.00 0.00 O ATOM 801 OE2 GLU A 53 10.220 1.262 -0.078 1.00 0.00 O ATOM 0 H GLU A 53 6.102 4.946 2.299 1.00 0.00 H new ATOM 0 HA GLU A 53 8.948 5.306 1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.045 3.099 2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.685 3.335 1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.924 2.136 -0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.691 3.676 -0.703 1.00 0.00 H new ATOM 808 N ARG A 54 6.367 5.737 -0.488 1.00 0.00 N ATOM 809 CA ARG A 54 5.909 6.374 -1.732 1.00 0.00 C ATOM 810 C ARG A 54 5.960 7.901 -1.663 1.00 0.00 C ATOM 811 O ARG A 54 6.061 8.556 -2.703 1.00 0.00 O ATOM 812 CB ARG A 54 4.490 5.879 -2.083 1.00 0.00 C ATOM 813 CG ARG A 54 4.419 4.406 -2.513 1.00 0.00 C ATOM 814 CD ARG A 54 4.901 4.239 -3.954 1.00 0.00 C ATOM 815 NE ARG A 54 5.365 2.870 -4.202 1.00 0.00 N ATOM 816 CZ ARG A 54 6.474 2.545 -4.870 1.00 0.00 C ATOM 817 NH1 ARG A 54 7.101 3.440 -5.626 1.00 0.00 N ATOM 818 NH2 ARG A 54 6.981 1.328 -4.761 1.00 0.00 N ATOM 0 H ARG A 54 5.652 5.151 -0.058 1.00 0.00 H new ATOM 0 HA ARG A 54 6.596 6.081 -2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.844 6.023 -1.217 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.091 6.499 -2.886 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.031 3.798 -1.847 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.395 4.045 -2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.091 4.482 -4.642 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.710 4.942 -4.154 1.00 0.00 H new ATOM 0 HE ARG A 54 4.796 2.107 -3.836 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.736 4.389 -5.701 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.948 3.178 -6.131 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.524 0.637 -4.166 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.828 1.081 -5.272 1.00 0.00 H new ATOM 832 N LEU A 55 5.969 8.472 -0.456 1.00 0.00 N ATOM 833 CA LEU A 55 6.213 9.889 -0.198 1.00 0.00 C ATOM 834 C LEU A 55 7.508 10.399 -0.858 1.00 0.00 C ATOM 835 O LEU A 55 7.607 11.597 -1.135 1.00 0.00 O ATOM 836 CB LEU A 55 6.181 10.140 1.328 1.00 0.00 C ATOM 837 CG LEU A 55 4.799 10.628 1.810 1.00 0.00 C ATOM 838 CD1 LEU A 55 4.640 10.484 3.328 1.00 0.00 C ATOM 839 CD2 LEU A 55 4.588 12.102 1.451 1.00 0.00 C ATOM 0 H LEU A 55 5.800 7.939 0.397 1.00 0.00 H new ATOM 0 HA LEU A 55 5.417 10.470 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.442 9.220 1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.937 10.881 1.589 1.00 0.00 H new ATOM 0 HG LEU A 55 4.059 10.004 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.653 10.839 3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.748 9.436 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.405 11.075 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.607 12.425 1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.360 12.707 1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.647 12.225 0.370 1.00 0.00 H new ATOM 851 N GLY A 56 8.450 9.519 -1.218 1.00 0.00 N ATOM 852 CA GLY A 56 9.567 9.839 -2.104 1.00 0.00 C ATOM 853 C GLY A 56 10.940 9.623 -1.477 1.00 0.00 C ATOM 854 O GLY A 56 11.931 10.201 -1.923 1.00 0.00 O ATOM 0 H GLY A 56 8.454 8.551 -0.895 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.490 9.228 -3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.482 10.880 -2.417 1.00 0.00 H new ATOM 858 N THR A 57 11.039 8.780 -0.455 1.00 0.00 N ATOM 859 CA THR A 57 12.315 8.311 0.082 1.00 0.00 C ATOM 860 C THR A 57 13.021 7.367 -0.903 1.00 0.00 C ATOM 861 O THR A 57 14.231 7.160 -0.837 1.00 0.00 O ATOM 862 CB THR A 57 12.000 7.584 1.390 1.00 0.00 C ATOM 863 OG1 THR A 57 10.957 6.660 1.187 1.00 0.00 O ATOM 864 CG2 THR A 57 11.541 8.575 2.463 1.00 0.00 C ATOM 0 H THR A 57 10.228 8.398 0.031 1.00 0.00 H new ATOM 0 HA THR A 57 12.991 9.150 0.249 1.00 0.00 H new ATOM 0 HB THR A 57 12.908 7.076 1.715 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.971 5.989 1.901 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.322 8.037 3.385 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.330 9.304 2.647 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.643 9.091 2.122 1.00 0.00 H new ATOM 872 N LEU A 58 12.251 6.801 -1.836 1.00 0.00 N ATOM 873 CA LEU A 58 12.647 5.779 -2.792 1.00 0.00 C ATOM 874 C LEU A 58 13.740 6.253 -3.749 1.00 0.00 C ATOM 875 O LEU A 58 14.463 5.413 -4.294 1.00 0.00 O ATOM 876 CB LEU A 58 11.403 5.396 -3.605 1.00 0.00 C ATOM 877 CG LEU A 58 10.366 4.600 -2.790 1.00 0.00 C ATOM 878 CD1 LEU A 58 8.961 4.969 -3.275 1.00 0.00 C ATOM 879 CD2 LEU A 58 10.591 3.093 -2.961 1.00 0.00 C ATOM 0 H LEU A 58 11.272 7.066 -1.946 1.00 0.00 H new ATOM 0 HA LEU A 58 13.055 4.933 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.935 6.302 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.709 4.804 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 58 10.474 4.848 -1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.220 4.410 -2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.797 6.037 -3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.865 4.723 -4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.850 2.546 -2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 58 10.493 2.828 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.590 2.833 -2.613 1.00 0.00 H new ATOM 891 N LYS A 59 13.844 7.556 -4.016 1.00 0.00 N ATOM 892 CA LYS A 59 14.898 8.145 -4.835 1.00 0.00 C ATOM 893 C LYS A 59 16.037 8.562 -3.914 1.00 0.00 C ATOM 894 O LYS A 59 15.777 9.102 -2.838 1.00 0.00 O ATOM 895 CB LYS A 59 14.337 9.367 -5.568 1.00 0.00 C ATOM 896 CG LYS A 59 15.163 9.783 -6.791 1.00 0.00 C ATOM 897 CD LYS A 59 14.929 8.840 -7.981 1.00 0.00 C ATOM 898 CE LYS A 59 14.964 9.609 -9.302 1.00 0.00 C ATOM 899 NZ LYS A 59 13.781 10.477 -9.486 1.00 0.00 N ATOM 0 H LYS A 59 13.181 8.244 -3.659 1.00 0.00 H new ATOM 0 HA LYS A 59 15.263 7.429 -5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.316 9.153 -5.885 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.285 10.205 -4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.902 10.802 -7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.222 9.786 -6.531 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.692 8.061 -7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.966 8.342 -7.871 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.867 10.219 -9.339 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.023 8.901 -10.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.681 10.719 -10.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.929 9.975 -9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.900 11.348 -8.930 1.00 0.00 H new ATOM 913 N ASN A 60 17.280 8.365 -4.356 1.00 0.00 N ATOM 914 CA ASN A 60 18.485 8.465 -3.533 1.00 0.00 C ATOM 915 C ASN A 60 18.284 7.817 -2.148 1.00 0.00 C ATOM 916 O ASN A 60 18.494 8.484 -1.129 1.00 0.00 O ATOM 917 CB ASN A 60 19.010 9.918 -3.448 1.00 0.00 C ATOM 918 CG ASN A 60 19.461 10.500 -4.782 1.00 0.00 C ATOM 919 OD1 ASN A 60 19.917 9.777 -5.668 1.00 0.00 O ATOM 920 ND2 ASN A 60 19.344 11.806 -4.975 1.00 0.00 N ATOM 0 H ASN A 60 17.481 8.124 -5.326 1.00 0.00 H new ATOM 0 HA ASN A 60 19.268 7.892 -4.030 1.00 0.00 H new ATOM 0 HB2 ASN A 60 18.225 10.552 -3.035 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.846 9.950 -2.750 1.00 0.00 H new ATOM 0 HD21 ASN A 60 19.633 12.218 -5.862 1.00 0.00 H new ATOM 0 HD22 ASN A 60 18.965 12.399 -4.236 1.00 0.00 H new ATOM 927 N PRO A 61 17.929 6.518 -2.078 1.00 0.00 N ATOM 928 CA PRO A 61 17.664 5.846 -0.810 1.00 0.00 C ATOM 929 C PRO A 61 18.959 5.667 0.010 1.00 0.00 C ATOM 930 O PRO A 61 20.063 5.764 -0.551 1.00 0.00 O ATOM 931 CB PRO A 61 17.039 4.501 -1.196 1.00 0.00 C ATOM 932 CG PRO A 61 17.693 4.192 -2.539 1.00 0.00 C ATOM 933 CD PRO A 61 17.827 5.571 -3.181 1.00 0.00 C ATOM 0 HA PRO A 61 16.998 6.425 -0.170 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.252 3.730 -0.456 1.00 0.00 H new ATOM 0 HB3 PRO A 61 15.955 4.569 -1.281 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.662 3.709 -2.414 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.079 3.524 -3.143 1.00 0.00 H new ATOM 0 HD2 PRO A 61 18.708 5.620 -3.820 1.00 0.00 H new ATOM 0 HD3 PRO A 61 16.965 5.795 -3.809 1.00 0.00 H new ATOM 941 N PRO A 62 18.852 5.412 1.327 1.00 0.00 N ATOM 942 CA PRO A 62 19.994 5.202 2.205 1.00 0.00 C ATOM 943 C PRO A 62 20.557 3.791 2.024 1.00 0.00 C ATOM 944 O PRO A 62 20.023 2.819 2.564 1.00 0.00 O ATOM 945 CB PRO A 62 19.466 5.441 3.622 1.00 0.00 C ATOM 946 CG PRO A 62 17.996 5.034 3.530 1.00 0.00 C ATOM 947 CD PRO A 62 17.613 5.395 2.095 1.00 0.00 C ATOM 0 HA PRO A 62 20.821 5.877 1.983 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.003 4.841 4.357 1.00 0.00 H new ATOM 0 HB3 PRO A 62 19.576 6.484 3.920 1.00 0.00 H new ATOM 0 HG2 PRO A 62 17.861 3.970 3.725 1.00 0.00 H new ATOM 0 HG3 PRO A 62 17.385 5.571 4.255 1.00 0.00 H new ATOM 0 HD2 PRO A 62 16.913 4.667 1.686 1.00 0.00 H new ATOM 0 HD3 PRO A 62 17.120 6.367 2.058 1.00 0.00 H new ATOM 955 N LYS A 63 21.653 3.663 1.276 1.00 0.00 N ATOM 956 CA LYS A 63 22.398 2.422 1.145 1.00 0.00 C ATOM 957 C LYS A 63 23.867 2.788 1.068 1.00 0.00 C ATOM 958 O LYS A 63 24.356 3.255 0.042 1.00 0.00 O ATOM 959 CB LYS A 63 21.885 1.600 -0.046 1.00 0.00 C ATOM 960 CG LYS A 63 22.494 0.188 -0.043 1.00 0.00 C ATOM 961 CD LYS A 63 21.736 -0.780 -0.956 1.00 0.00 C ATOM 962 CE LYS A 63 21.830 -0.374 -2.427 1.00 0.00 C ATOM 963 NZ LYS A 63 20.828 -1.086 -3.240 1.00 0.00 N ATOM 0 H LYS A 63 22.050 4.433 0.738 1.00 0.00 H new ATOM 0 HA LYS A 63 22.255 1.768 2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.798 1.531 -0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 63 22.137 2.107 -0.978 1.00 0.00 H new ATOM 0 HG2 LYS A 63 23.535 0.244 -0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 63 22.494 -0.202 0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 63 22.138 -1.786 -0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 63 20.689 -0.816 -0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 63 21.681 0.702 -2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 63 22.829 -0.591 -2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.914 -0.791 -4.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.987 -2.111 -3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.874 -0.858 -2.893 1.00 0.00 H new ATOM 977 N LYS A 64 24.549 2.658 2.203 1.00 0.00 N ATOM 978 CA LYS A 64 25.971 2.955 2.330 1.00 0.00 C ATOM 979 C LYS A 64 26.588 1.984 3.328 1.00 0.00 C ATOM 980 O LYS A 64 27.567 1.309 3.003 1.00 0.00 O ATOM 981 CB LYS A 64 26.152 4.434 2.715 1.00 0.00 C ATOM 982 CG LYS A 64 27.578 4.956 2.449 1.00 0.00 C ATOM 983 CD LYS A 64 27.587 6.202 1.548 1.00 0.00 C ATOM 984 CE LYS A 64 27.178 5.829 0.117 1.00 0.00 C ATOM 985 NZ LYS A 64 27.110 7.001 -0.779 1.00 0.00 N ATOM 0 H LYS A 64 24.122 2.339 3.072 1.00 0.00 H new ATOM 0 HA LYS A 64 26.494 2.816 1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 64 25.439 5.039 2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 64 25.916 4.560 3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 64 28.058 5.194 3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.169 4.168 1.981 1.00 0.00 H new ATOM 0 HD2 LYS A 64 26.902 6.951 1.945 1.00 0.00 H new ATOM 0 HD3 LYS A 64 28.581 6.649 1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 64 27.892 5.110 -0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 64 26.206 5.336 0.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 26.830 6.694 -1.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 26.410 7.677 -0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 28.043 7.459 -0.823 1.00 0.00 H new ATOM 999 N LYS A 65 25.995 1.861 4.521 1.00 0.00 N ATOM 1000 CA LYS A 65 26.355 0.851 5.508 1.00 0.00 C ATOM 1001 C LYS A 65 25.092 0.397 6.237 1.00 0.00 C ATOM 1002 O LYS A 65 24.224 1.232 6.494 1.00 0.00 O ATOM 1003 CB LYS A 65 27.421 1.454 6.445 1.00 0.00 C ATOM 1004 CG LYS A 65 27.844 0.572 7.634 1.00 0.00 C ATOM 1005 CD LYS A 65 27.002 0.871 8.880 1.00 0.00 C ATOM 1006 CE LYS A 65 27.507 0.120 10.112 1.00 0.00 C ATOM 1007 NZ LYS A 65 26.585 0.307 11.249 1.00 0.00 N ATOM 0 H LYS A 65 25.239 2.474 4.828 1.00 0.00 H new ATOM 0 HA LYS A 65 26.787 -0.038 5.048 1.00 0.00 H new ATOM 0 HB2 LYS A 65 28.308 1.685 5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 65 27.042 2.399 6.835 1.00 0.00 H new ATOM 0 HG2 LYS A 65 27.738 -0.479 7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 65 28.898 0.739 7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 65 27.017 1.943 9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 65 25.964 0.597 8.690 1.00 0.00 H new ATOM 0 HE2 LYS A 65 27.601 -0.942 9.884 1.00 0.00 H new ATOM 0 HE3 LYS A 65 28.501 0.478 10.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 26.945 -0.210 12.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 26.516 1.319 11.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 25.644 -0.056 10.996 1.00 0.00 H new ATOM 1021 N MET A 66 25.014 -0.880 6.616 1.00 0.00 N ATOM 1022 CA MET A 66 24.115 -1.455 7.621 1.00 0.00 C ATOM 1023 C MET A 66 24.811 -2.688 8.218 1.00 0.00 C ATOM 1024 O MET A 66 25.779 -3.185 7.637 1.00 0.00 O ATOM 1025 CB MET A 66 22.792 -1.936 7.005 1.00 0.00 C ATOM 1026 CG MET A 66 21.799 -0.862 6.560 1.00 0.00 C ATOM 1027 SD MET A 66 20.278 -1.554 5.840 1.00 0.00 S ATOM 1028 CE MET A 66 19.673 -2.616 7.179 1.00 0.00 C ATOM 0 H MET A 66 25.618 -1.589 6.201 1.00 0.00 H new ATOM 0 HA MET A 66 23.897 -0.687 8.363 1.00 0.00 H new ATOM 0 HB2 MET A 66 23.028 -2.558 6.141 1.00 0.00 H new ATOM 0 HB3 MET A 66 22.294 -2.577 7.732 1.00 0.00 H new ATOM 0 HG2 MET A 66 21.539 -0.239 7.416 1.00 0.00 H new ATOM 0 HG3 MET A 66 22.279 -0.213 5.827 1.00 0.00 H new ATOM 0 HE1 MET A 66 18.624 -2.858 7.006 1.00 0.00 H new ATOM 0 HE2 MET A 66 20.258 -3.536 7.206 1.00 0.00 H new ATOM 0 HE3 MET A 66 19.773 -2.094 8.131 1.00 0.00 H new ATOM 1038 N LYS A 67 24.318 -3.205 9.350 1.00 0.00 N ATOM 1039 CA LYS A 67 24.576 -4.556 9.848 1.00 0.00 C ATOM 1040 C LYS A 67 23.460 -4.913 10.834 1.00 0.00 C ATOM 1041 O LYS A 67 23.596 -4.636 12.029 1.00 0.00 O ATOM 1042 CB LYS A 67 25.982 -4.646 10.476 1.00 0.00 C ATOM 1043 CG LYS A 67 26.424 -6.107 10.691 1.00 0.00 C ATOM 1044 CD LYS A 67 27.935 -6.242 10.953 1.00 0.00 C ATOM 1045 CE LYS A 67 28.724 -5.861 9.690 1.00 0.00 C ATOM 1046 NZ LYS A 67 30.188 -5.849 9.871 1.00 0.00 N ATOM 0 H LYS A 67 23.705 -2.671 9.966 1.00 0.00 H new ATOM 0 HA LYS A 67 24.569 -5.280 9.034 1.00 0.00 H new ATOM 0 HB2 LYS A 67 26.701 -4.141 9.831 1.00 0.00 H new ATOM 0 HB3 LYS A 67 25.987 -4.121 11.431 1.00 0.00 H new ATOM 0 HG2 LYS A 67 25.875 -6.527 11.534 1.00 0.00 H new ATOM 0 HG3 LYS A 67 26.158 -6.695 9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 67 28.228 -5.598 11.782 1.00 0.00 H new ATOM 0 HD3 LYS A 67 28.172 -7.265 11.245 1.00 0.00 H new ATOM 0 HE2 LYS A 67 28.474 -6.562 8.894 1.00 0.00 H new ATOM 0 HE3 LYS A 67 28.402 -4.874 9.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 30.646 -5.583 8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 30.441 -5.160 10.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 30.510 -6.796 10.157 1.00 0.00 H new ATOM 1060 N LEU A 68 22.321 -5.419 10.366 1.00 0.00 N ATOM 1061 CA LEU A 68 21.177 -5.769 11.210 1.00 0.00 C ATOM 1062 C LEU A 68 20.360 -6.892 10.569 1.00 0.00 C ATOM 1063 O LEU A 68 20.538 -7.203 9.390 1.00 0.00 O ATOM 1064 CB LEU A 68 20.293 -4.517 11.446 1.00 0.00 C ATOM 1065 CG LEU A 68 20.227 -4.108 12.929 1.00 0.00 C ATOM 1066 CD1 LEU A 68 19.591 -2.722 13.068 1.00 0.00 C ATOM 1067 CD2 LEU A 68 19.434 -5.104 13.778 1.00 0.00 C ATOM 0 H LEU A 68 22.163 -5.601 9.375 1.00 0.00 H new ATOM 0 HA LEU A 68 21.545 -6.125 12.172 1.00 0.00 H new ATOM 0 HB2 LEU A 68 20.685 -3.685 10.861 1.00 0.00 H new ATOM 0 HB3 LEU A 68 19.285 -4.715 11.083 1.00 0.00 H new ATOM 0 HG LEU A 68 21.254 -4.095 13.295 1.00 0.00 H new ATOM 0 HD11 LEU A 68 19.550 -2.444 14.121 1.00 0.00 H new ATOM 0 HD12 LEU A 68 20.189 -1.991 12.523 1.00 0.00 H new ATOM 0 HD13 LEU A 68 18.581 -2.742 12.659 1.00 0.00 H new ATOM 0 HD21 LEU A 68 19.419 -4.767 14.815 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.413 -5.170 13.403 1.00 0.00 H new ATOM 0 HD23 LEU A 68 19.905 -6.086 13.722 1.00 0.00 H new ATOM 1079 N MET A 69 19.421 -7.451 11.333 1.00 0.00 N ATOM 1080 CA MET A 69 18.330 -8.303 10.874 1.00 0.00 C ATOM 1081 C MET A 69 17.050 -7.817 11.578 1.00 0.00 C ATOM 1082 O MET A 69 16.958 -6.631 11.913 1.00 0.00 O ATOM 1083 CB MET A 69 18.651 -9.798 11.072 1.00 0.00 C ATOM 1084 CG MET A 69 19.868 -10.251 10.258 1.00 0.00 C ATOM 1085 SD MET A 69 20.144 -12.042 10.264 1.00 0.00 S ATOM 1086 CE MET A 69 18.821 -12.574 9.146 1.00 0.00 C ATOM 0 H MET A 69 19.403 -7.312 12.343 1.00 0.00 H new ATOM 0 HA MET A 69 18.181 -8.220 9.797 1.00 0.00 H new ATOM 0 HB2 MET A 69 18.834 -9.990 12.129 1.00 0.00 H new ATOM 0 HB3 MET A 69 17.784 -10.393 10.785 1.00 0.00 H new ATOM 0 HG2 MET A 69 19.746 -9.917 9.228 1.00 0.00 H new ATOM 0 HG3 MET A 69 20.757 -9.757 10.650 1.00 0.00 H new ATOM 0 HE1 MET A 69 18.945 -13.631 8.912 1.00 0.00 H new ATOM 0 HE2 MET A 69 17.855 -12.420 9.626 1.00 0.00 H new ATOM 0 HE3 MET A 69 18.866 -11.991 8.226 1.00 0.00 H new ATOM 1096 N ARG A 70 16.034 -8.665 11.749 1.00 0.00 N ATOM 1097 CA ARG A 70 14.741 -8.322 12.329 1.00 0.00 C ATOM 1098 C ARG A 70 14.461 -9.271 13.459 1.00 0.00 C ATOM 1099 O ARG A 70 14.851 -10.451 13.358 1.00 0.00 O ATOM 1100 CB ARG A 70 13.634 -8.430 11.270 1.00 0.00 C ATOM 1101 CG ARG A 70 13.391 -7.093 10.571 1.00 0.00 C ATOM 1102 CD ARG A 70 12.282 -7.249 9.526 1.00 0.00 C ATOM 1103 NE ARG A 70 11.873 -5.960 8.951 1.00 0.00 N ATOM 1104 CZ ARG A 70 12.573 -5.211 8.092 1.00 0.00 C ATOM 1105 NH1 ARG A 70 13.762 -5.611 7.654 1.00 0.00 N ATOM 1106 NH2 ARG A 70 12.068 -4.058 7.680 1.00 0.00 N ATOM 0 H ARG A 70 16.095 -9.646 11.476 1.00 0.00 H new ATOM 0 HA ARG A 70 14.763 -7.296 12.696 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.909 -9.183 10.531 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.711 -8.768 11.741 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.110 -6.335 11.303 1.00 0.00 H new ATOM 0 HG3 ARG A 70 14.308 -6.750 10.093 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.627 -7.907 8.729 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.418 -7.730 9.985 1.00 0.00 H new ATOM 0 HE ARG A 70 10.962 -5.600 9.236 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.151 -6.498 7.973 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.286 -5.031 6.999 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.156 -3.751 8.018 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.591 -3.477 7.025 1.00 0.00 H new TER 1120 ARG A 70