USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 697 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 Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -2.97 K(o=-3,f=-11!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -2.39 K(o=-2.4,f=-3.7!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.291 K(o=-0.29,f=-2.8!) USER MOD Single : A 37 TYR OH : rot -20:sc= -2.21 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 39 HIS : no HD1:sc=-0.000482 X(o=-0.00048,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.091 K(o=-0.091,f=-2!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -143:sc= -0.382 (180deg=-0.733) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.734 F(o=-2.2,f=-0.73) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.127) USER MOD Single : A 59 GLN :FLIP amide:sc= -1.11 F(o=-1.8,f=-1.1) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 78:sc= -4.33! USER MOD Single : A 66 THR OG1 : rot 74:sc= -0.0154 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 158:sc= 0.245 (180deg=0.0602) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -24:sc= -0.0825 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.8) USER MOD Single : B 122 GLN :FLIP amide:sc= -0.123 F(o=-1,f=-0.12) USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -12.358 -8.130 3.420 1.00 42.10 N ATOM 2 CA ASN A 10 -11.006 -7.603 3.520 1.00 44.50 C ATOM 3 C ASN A 10 -10.471 -7.209 2.147 1.00 70.30 C ATOM 4 O ASN A 10 -9.836 -6.166 1.994 1.00 23.20 O ATOM 5 CB ASN A 10 -10.080 -8.637 4.161 1.00 35.00 C ATOM 6 CG ASN A 10 -10.209 -8.670 5.672 1.00 71.20 C ATOM 7 OD1 ASN A 10 -11.245 -9.060 6.210 1.00 60.40 O ATOM 8 ND2 ASN A 10 -9.154 -8.259 6.365 1.00 2.30 N ATOM 0 HA ASN A 10 -11.037 -6.712 4.147 1.00 44.50 H new ATOM 0 HB2 ASN A 10 -10.307 -9.624 3.758 1.00 35.00 H new ATOM 0 HB3 ASN A 10 -9.048 -8.413 3.892 1.00 35.00 H new ATOM 0 HD21 ASN A 10 -9.182 -8.258 7.385 1.00 2.30 H new ATOM 0 HD22 ASN A 10 -8.315 -7.944 5.878 1.00 2.30 H new ATOM 15 N LEU A 11 -10.727 -8.045 1.155 1.00 71.20 N ATOM 16 CA LEU A 11 -10.274 -7.784 -0.207 1.00 63.30 C ATOM 17 C LEU A 11 -10.864 -6.480 -0.735 1.00 61.00 C ATOM 18 O LEU A 11 -10.148 -5.628 -1.254 1.00 44.30 O ATOM 19 CB LEU A 11 -10.659 -8.943 -1.126 1.00 5.51 C ATOM 20 CG LEU A 11 -9.615 -9.316 -2.179 1.00 1.12 C ATOM 21 CD1 LEU A 11 -9.988 -10.618 -2.872 1.00 32.30 C ATOM 22 CD2 LEU A 11 -9.458 -8.193 -3.194 1.00 72.10 C ATOM 0 H LEU A 11 -11.248 -8.915 1.265 1.00 71.20 H new ATOM 0 HA LEU A 11 -9.188 -7.690 -0.191 1.00 63.30 H new ATOM 0 HB2 LEU A 11 -10.861 -9.820 -0.512 1.00 5.51 H new ATOM 0 HB3 LEU A 11 -11.589 -8.689 -1.634 1.00 5.51 H new ATOM 0 HG LEU A 11 -8.659 -9.462 -1.676 1.00 1.12 H new ATOM 0 HD11 LEU A 11 -9.231 -10.864 -3.617 1.00 32.30 H new ATOM 0 HD12 LEU A 11 -10.045 -11.419 -2.135 1.00 32.30 H new ATOM 0 HD13 LEU A 11 -10.955 -10.506 -3.361 1.00 32.30 H new ATOM 0 HD21 LEU A 11 -8.711 -8.475 -3.936 1.00 72.10 H new ATOM 0 HD22 LEU A 11 -10.412 -8.014 -3.689 1.00 72.10 H new ATOM 0 HD23 LEU A 11 -9.138 -7.284 -2.684 1.00 72.10 H new ATOM 34 N GLN A 12 -12.184 -6.337 -0.605 1.00 31.00 N ATOM 35 CA GLN A 12 -12.870 -5.136 -1.068 1.00 11.20 C ATOM 36 C GLN A 12 -12.269 -3.882 -0.431 1.00 11.20 C ATOM 37 O GLN A 12 -12.266 -2.812 -1.039 1.00 12.20 O ATOM 38 CB GLN A 12 -14.364 -5.223 -0.744 1.00 42.00 C ATOM 39 CG GLN A 12 -15.252 -4.622 -1.817 1.00 60.20 C ATOM 40 CD GLN A 12 -16.705 -4.547 -1.392 1.00 74.30 C ATOM 41 OE1 GLN A 12 -17.038 -3.966 -0.362 1.00 63.20 O ATOM 42 NE2 GLN A 12 -17.584 -5.141 -2.192 1.00 34.20 N ATOM 0 H GLN A 12 -12.795 -7.037 -0.184 1.00 31.00 H new ATOM 0 HA GLN A 12 -12.742 -5.067 -2.148 1.00 11.20 H new ATOM 0 HB2 GLN A 12 -14.637 -6.269 -0.602 1.00 42.00 H new ATOM 0 HB3 GLN A 12 -14.553 -4.713 0.201 1.00 42.00 H new ATOM 0 HG2 GLN A 12 -14.896 -3.621 -2.060 1.00 60.20 H new ATOM 0 HG3 GLN A 12 -15.173 -5.218 -2.726 1.00 60.20 H new ATOM 0 HE21 GLN A 12 -17.266 -5.613 -3.038 1.00 34.20 H new ATOM 0 HE22 GLN A 12 -18.577 -5.125 -1.960 1.00 34.20 H new ATOM 51 N LYS A 13 -11.770 -4.030 0.786 1.00 21.30 N ATOM 52 CA LYS A 13 -11.168 -2.911 1.501 1.00 41.30 C ATOM 53 C LYS A 13 -9.824 -2.535 0.885 1.00 72.00 C ATOM 54 O LYS A 13 -9.428 -1.370 0.901 1.00 14.50 O ATOM 55 CB LYS A 13 -10.988 -3.262 2.979 1.00 74.40 C ATOM 56 CG LYS A 13 -11.325 -2.118 3.920 1.00 1.41 C ATOM 57 CD LYS A 13 -12.806 -2.094 4.261 1.00 20.30 C ATOM 58 CE LYS A 13 -13.106 -2.913 5.505 1.00 2.31 C ATOM 59 NZ LYS A 13 -14.426 -2.562 6.097 1.00 72.40 N ATOM 0 H LYS A 13 -11.769 -4.911 1.300 1.00 21.30 H new ATOM 0 HA LYS A 13 -11.837 -2.054 1.419 1.00 41.30 H new ATOM 0 HB2 LYS A 13 -11.618 -4.118 3.220 1.00 74.40 H new ATOM 0 HB3 LYS A 13 -9.956 -3.569 3.148 1.00 74.40 H new ATOM 0 HG2 LYS A 13 -10.741 -2.215 4.836 1.00 1.41 H new ATOM 0 HG3 LYS A 13 -11.041 -1.172 3.460 1.00 1.41 H new ATOM 0 HD2 LYS A 13 -13.128 -1.064 4.416 1.00 20.30 H new ATOM 0 HD3 LYS A 13 -13.380 -2.484 3.420 1.00 20.30 H new ATOM 0 HE2 LYS A 13 -13.092 -3.973 5.253 1.00 2.31 H new ATOM 0 HE3 LYS A 13 -12.322 -2.750 6.244 1.00 2.31 H new ATOM 0 HZ1 LYS A 13 -14.592 -3.143 6.943 1.00 72.40 H new ATOM 0 HZ2 LYS A 13 -14.432 -1.556 6.361 1.00 72.40 H new ATOM 0 HZ3 LYS A 13 -15.177 -2.741 5.401 1.00 72.40 H new ATOM 73 N ALA A 14 -9.128 -3.529 0.344 1.00 13.20 N ATOM 74 CA ALA A 14 -7.829 -3.302 -0.277 1.00 72.50 C ATOM 75 C ALA A 14 -7.956 -2.408 -1.505 1.00 13.40 C ATOM 76 O ALA A 14 -7.221 -1.431 -1.652 1.00 54.30 O ATOM 77 CB ALA A 14 -7.186 -4.629 -0.653 1.00 62.10 C ATOM 0 H ALA A 14 -9.442 -4.499 0.323 1.00 13.20 H new ATOM 0 HA ALA A 14 -7.192 -2.793 0.446 1.00 72.50 H new ATOM 0 HB1 ALA A 14 -6.216 -4.445 -1.116 1.00 62.10 H new ATOM 0 HB2 ALA A 14 -7.051 -5.235 0.243 1.00 62.10 H new ATOM 0 HB3 ALA A 14 -7.829 -5.159 -1.356 1.00 62.10 H new ATOM 83 N ILE A 15 -8.896 -2.744 -2.383 1.00 5.42 N ATOM 84 CA ILE A 15 -9.120 -1.968 -3.596 1.00 31.40 C ATOM 85 C ILE A 15 -9.778 -0.630 -3.275 1.00 45.40 C ATOM 86 O ILE A 15 -9.356 0.415 -3.770 1.00 4.51 O ATOM 87 CB ILE A 15 -9.998 -2.735 -4.602 1.00 12.00 C ATOM 88 CG1 ILE A 15 -9.426 -4.131 -4.844 1.00 23.40 C ATOM 89 CG2 ILE A 15 -10.099 -1.962 -5.907 1.00 74.40 C ATOM 90 CD1 ILE A 15 -10.029 -5.193 -3.951 1.00 64.20 C ATOM 0 H ILE A 15 -9.514 -3.548 -2.276 1.00 5.42 H new ATOM 0 HA ILE A 15 -8.143 -1.791 -4.045 1.00 31.40 H new ATOM 0 HB ILE A 15 -11.000 -2.841 -4.187 1.00 12.00 H new ATOM 0 HG12 ILE A 15 -9.591 -4.407 -5.886 1.00 23.40 H new ATOM 0 HG13 ILE A 15 -8.348 -4.105 -4.688 1.00 23.40 H new ATOM 0 HG21 ILE A 15 -10.722 -2.515 -6.610 1.00 74.40 H new ATOM 0 HG22 ILE A 15 -10.544 -0.985 -5.718 1.00 74.40 H new ATOM 0 HG23 ILE A 15 -9.103 -1.831 -6.330 1.00 74.40 H new ATOM 0 HD11 ILE A 15 -9.577 -6.159 -4.177 1.00 64.20 H new ATOM 0 HD12 ILE A 15 -9.842 -4.940 -2.907 1.00 64.20 H new ATOM 0 HD13 ILE A 15 -11.104 -5.247 -4.124 1.00 64.20 H new ATOM 102 N ASP A 16 -10.814 -0.670 -2.443 1.00 2.54 N ATOM 103 CA ASP A 16 -11.528 0.540 -2.054 1.00 5.41 C ATOM 104 C ASP A 16 -10.586 1.529 -1.376 1.00 44.20 C ATOM 105 O ASP A 16 -10.674 2.737 -1.596 1.00 21.40 O ATOM 106 CB ASP A 16 -12.687 0.195 -1.118 1.00 64.50 C ATOM 107 CG ASP A 16 -13.587 1.386 -0.850 1.00 72.10 C ATOM 108 OD1 ASP A 16 -14.423 1.705 -1.720 1.00 2.32 O ATOM 109 OD2 ASP A 16 -13.456 1.998 0.231 1.00 21.40 O ATOM 0 H ASP A 16 -11.177 -1.527 -2.026 1.00 2.54 H new ATOM 0 HA ASP A 16 -11.927 1.005 -2.956 1.00 5.41 H new ATOM 0 HB2 ASP A 16 -13.276 -0.611 -1.555 1.00 64.50 H new ATOM 0 HB3 ASP A 16 -12.290 -0.177 -0.174 1.00 64.50 H new ATOM 114 N LEU A 17 -9.683 1.005 -0.554 1.00 13.40 N ATOM 115 CA LEU A 17 -8.720 1.839 0.155 1.00 43.50 C ATOM 116 C LEU A 17 -7.550 2.204 -0.751 1.00 22.50 C ATOM 117 O LEU A 17 -6.967 3.281 -0.627 1.00 32.20 O ATOM 118 CB LEU A 17 -8.209 1.118 1.404 1.00 71.30 C ATOM 119 CG LEU A 17 -9.262 0.866 2.483 1.00 53.30 C ATOM 120 CD1 LEU A 17 -8.765 -0.166 3.484 1.00 63.50 C ATOM 121 CD2 LEU A 17 -9.622 2.165 3.189 1.00 51.10 C ATOM 0 H LEU A 17 -9.598 0.007 -0.362 1.00 13.40 H new ATOM 0 HA LEU A 17 -9.224 2.757 0.457 1.00 43.50 H new ATOM 0 HB2 LEU A 17 -7.783 0.161 1.103 1.00 71.30 H new ATOM 0 HB3 LEU A 17 -7.400 1.705 1.838 1.00 71.30 H new ATOM 0 HG LEU A 17 -10.159 0.474 2.004 1.00 53.30 H new ATOM 0 HD11 LEU A 17 -9.528 -0.332 4.244 1.00 63.50 H new ATOM 0 HD12 LEU A 17 -8.557 -1.103 2.968 1.00 63.50 H new ATOM 0 HD13 LEU A 17 -7.853 0.197 3.958 1.00 63.50 H new ATOM 0 HD21 LEU A 17 -10.373 1.967 3.954 1.00 51.10 H new ATOM 0 HD22 LEU A 17 -8.731 2.585 3.655 1.00 51.10 H new ATOM 0 HD23 LEU A 17 -10.021 2.875 2.464 1.00 51.10 H new ATOM 133 N ALA A 18 -7.210 1.299 -1.664 1.00 44.30 N ATOM 134 CA ALA A 18 -6.110 1.525 -2.591 1.00 61.00 C ATOM 135 C ALA A 18 -6.516 2.492 -3.697 1.00 31.30 C ATOM 136 O ALA A 18 -5.690 3.245 -4.213 1.00 11.10 O ATOM 137 CB ALA A 18 -5.640 0.206 -3.186 1.00 42.50 C ATOM 0 H ALA A 18 -7.682 0.402 -1.780 1.00 44.30 H new ATOM 0 HA ALA A 18 -5.286 1.973 -2.036 1.00 61.00 H new ATOM 0 HB1 ALA A 18 -4.818 0.391 -3.877 1.00 42.50 H new ATOM 0 HB2 ALA A 18 -5.301 -0.453 -2.387 1.00 42.50 H new ATOM 0 HB3 ALA A 18 -6.464 -0.266 -3.721 1.00 42.50 H new ATOM 143 N SER A 19 -7.796 2.467 -4.056 1.00 1.31 N ATOM 144 CA SER A 19 -8.313 3.344 -5.100 1.00 54.20 C ATOM 145 C SER A 19 -8.411 4.782 -4.603 1.00 2.53 C ATOM 146 O SER A 19 -8.011 5.717 -5.298 1.00 33.00 O ATOM 147 CB SER A 19 -9.687 2.858 -5.567 1.00 45.20 C ATOM 148 OG SER A 19 -10.024 3.415 -6.826 1.00 22.30 O ATOM 0 H SER A 19 -8.493 1.850 -3.640 1.00 1.31 H new ATOM 0 HA SER A 19 -7.620 3.316 -5.941 1.00 54.20 H new ATOM 0 HB2 SER A 19 -9.688 1.770 -5.635 1.00 45.20 H new ATOM 0 HB3 SER A 19 -10.443 3.132 -4.831 1.00 45.20 H new ATOM 0 HG SER A 19 -10.905 3.088 -7.103 1.00 22.30 H new ATOM 154 N LYS A 20 -8.943 4.951 -3.398 1.00 22.10 N ATOM 155 CA LYS A 20 -9.093 6.276 -2.808 1.00 53.10 C ATOM 156 C LYS A 20 -7.730 6.904 -2.530 1.00 32.50 C ATOM 157 O LYS A 20 -7.573 8.123 -2.591 1.00 42.40 O ATOM 158 CB LYS A 20 -9.902 6.192 -1.513 1.00 34.50 C ATOM 159 CG LYS A 20 -10.845 7.367 -1.307 1.00 34.40 C ATOM 160 CD LYS A 20 -11.760 7.146 -0.114 1.00 72.20 C ATOM 161 CE LYS A 20 -12.252 8.463 0.462 1.00 24.10 C ATOM 162 NZ LYS A 20 -13.057 8.262 1.699 1.00 63.10 N ATOM 0 H LYS A 20 -9.278 4.187 -2.811 1.00 22.10 H new ATOM 0 HA LYS A 20 -9.626 6.906 -3.520 1.00 53.10 H new ATOM 0 HB2 LYS A 20 -10.481 5.268 -1.515 1.00 34.50 H new ATOM 0 HB3 LYS A 20 -9.215 6.136 -0.668 1.00 34.50 H new ATOM 0 HG2 LYS A 20 -10.265 8.278 -1.158 1.00 34.40 H new ATOM 0 HG3 LYS A 20 -11.445 7.514 -2.205 1.00 34.40 H new ATOM 0 HD2 LYS A 20 -12.613 6.539 -0.416 1.00 72.20 H new ATOM 0 HD3 LYS A 20 -11.227 6.587 0.656 1.00 72.20 H new ATOM 0 HE2 LYS A 20 -11.398 9.103 0.684 1.00 24.10 H new ATOM 0 HE3 LYS A 20 -12.855 8.982 -0.283 1.00 24.10 H new ATOM 0 HZ1 LYS A 20 -13.374 9.184 2.061 1.00 63.10 H new ATOM 0 HZ2 LYS A 20 -13.885 7.672 1.482 1.00 63.10 H new ATOM 0 HZ3 LYS A 20 -12.474 7.789 2.419 1.00 63.10 H new ATOM 176 N ALA A 21 -6.748 6.062 -2.226 1.00 22.30 N ATOM 177 CA ALA A 21 -5.398 6.533 -1.939 1.00 4.25 C ATOM 178 C ALA A 21 -4.696 6.995 -3.212 1.00 41.20 C ATOM 179 O ALA A 21 -3.939 7.966 -3.197 1.00 32.00 O ATOM 180 CB ALA A 21 -4.591 5.439 -1.257 1.00 74.40 C ATOM 0 H ALA A 21 -6.862 5.050 -2.172 1.00 22.30 H new ATOM 0 HA ALA A 21 -5.473 7.387 -1.266 1.00 4.25 H new ATOM 0 HB1 ALA A 21 -3.586 5.805 -1.049 1.00 74.40 H new ATOM 0 HB2 ALA A 21 -5.076 5.158 -0.322 1.00 74.40 H new ATOM 0 HB3 ALA A 21 -4.532 4.569 -1.911 1.00 74.40 H new ATOM 186 N ALA A 22 -4.952 6.293 -4.310 1.00 72.40 N ATOM 187 CA ALA A 22 -4.344 6.630 -5.592 1.00 52.30 C ATOM 188 C ALA A 22 -4.949 7.905 -6.171 1.00 2.53 C ATOM 189 O ALA A 22 -4.228 8.819 -6.571 1.00 52.50 O ATOM 190 CB ALA A 22 -4.504 5.477 -6.571 1.00 33.20 C ATOM 0 H ALA A 22 -5.576 5.487 -4.338 1.00 72.40 H new ATOM 0 HA ALA A 22 -3.282 6.807 -5.425 1.00 52.30 H new ATOM 0 HB1 ALA A 22 -4.046 5.742 -7.524 1.00 33.20 H new ATOM 0 HB2 ALA A 22 -4.017 4.588 -6.169 1.00 33.20 H new ATOM 0 HB3 ALA A 22 -5.564 5.273 -6.723 1.00 33.20 H new ATOM 196 N GLN A 23 -6.276 7.957 -6.216 1.00 34.10 N ATOM 197 CA GLN A 23 -6.978 9.120 -6.748 1.00 42.40 C ATOM 198 C GLN A 23 -6.601 10.385 -5.981 1.00 71.40 C ATOM 199 O GLN A 23 -6.554 11.476 -6.549 1.00 34.10 O ATOM 200 CB GLN A 23 -8.491 8.904 -6.685 1.00 42.00 C ATOM 201 CG GLN A 23 -8.993 8.518 -5.303 1.00 2.30 C ATOM 202 CD GLN A 23 -9.530 9.705 -4.528 1.00 30.40 C ATOM 203 OE1 GLN A 23 -8.949 10.789 -4.547 1.00 40.20 O ATOM 204 NE2 GLN A 23 -10.648 9.505 -3.839 1.00 13.30 N ATOM 0 H GLN A 23 -6.887 7.208 -5.891 1.00 34.10 H new ATOM 0 HA GLN A 23 -6.679 9.246 -7.789 1.00 42.40 H new ATOM 0 HB2 GLN A 23 -8.994 9.817 -7.003 1.00 42.00 H new ATOM 0 HB3 GLN A 23 -8.768 8.124 -7.394 1.00 42.00 H new ATOM 0 HG2 GLN A 23 -9.777 7.768 -5.401 1.00 2.30 H new ATOM 0 HG3 GLN A 23 -8.181 8.058 -4.740 1.00 2.30 H new ATOM 0 HE21 GLN A 23 -11.098 8.589 -3.851 1.00 13.30 H new ATOM 0 HE22 GLN A 23 -11.057 10.267 -3.298 1.00 13.30 H new ATOM 213 N GLU A 24 -6.335 10.230 -4.688 1.00 25.10 N ATOM 214 CA GLU A 24 -5.963 11.359 -3.845 1.00 20.00 C ATOM 215 C GLU A 24 -4.578 11.880 -4.213 1.00 74.20 C ATOM 216 O GLU A 24 -4.346 13.089 -4.242 1.00 14.10 O ATOM 217 CB GLU A 24 -5.992 10.954 -2.370 1.00 22.40 C ATOM 218 CG GLU A 24 -7.367 11.074 -1.733 1.00 74.30 C ATOM 219 CD GLU A 24 -7.521 10.198 -0.507 1.00 25.20 C ATOM 220 OE1 GLU A 24 -6.596 10.184 0.333 1.00 12.20 O ATOM 221 OE2 GLU A 24 -8.566 9.524 -0.384 1.00 2.13 O ATOM 0 H GLU A 24 -6.370 9.334 -4.202 1.00 25.10 H new ATOM 0 HA GLU A 24 -6.688 12.156 -4.010 1.00 20.00 H new ATOM 0 HB2 GLU A 24 -5.647 9.924 -2.278 1.00 22.40 H new ATOM 0 HB3 GLU A 24 -5.289 11.577 -1.817 1.00 22.40 H new ATOM 0 HG2 GLU A 24 -7.546 12.113 -1.457 1.00 74.30 H new ATOM 0 HG3 GLU A 24 -8.127 10.804 -2.466 1.00 74.30 H new ATOM 228 N ASP A 25 -3.661 10.960 -4.493 1.00 42.40 N ATOM 229 CA ASP A 25 -2.297 11.326 -4.860 1.00 32.20 C ATOM 230 C ASP A 25 -2.286 12.196 -6.113 1.00 52.40 C ATOM 231 O ASP A 25 -1.556 13.184 -6.188 1.00 2.31 O ATOM 232 CB ASP A 25 -1.454 10.071 -5.089 1.00 42.50 C ATOM 233 CG ASP A 25 -0.001 10.396 -5.377 1.00 35.30 C ATOM 234 OD1 ASP A 25 0.687 10.900 -4.464 1.00 61.30 O ATOM 235 OD2 ASP A 25 0.450 10.145 -6.514 1.00 31.40 O ATOM 0 H ASP A 25 -3.837 9.956 -4.473 1.00 42.40 H new ATOM 0 HA ASP A 25 -1.867 11.899 -4.038 1.00 32.20 H new ATOM 0 HB2 ASP A 25 -1.513 9.431 -4.208 1.00 42.50 H new ATOM 0 HB3 ASP A 25 -1.869 9.505 -5.923 1.00 42.50 H new ATOM 240 N LYS A 26 -3.100 11.822 -7.095 1.00 54.50 N ATOM 241 CA LYS A 26 -3.184 12.568 -8.345 1.00 62.30 C ATOM 242 C LYS A 26 -4.087 13.788 -8.190 1.00 43.40 C ATOM 243 O LYS A 26 -3.822 14.844 -8.764 1.00 23.50 O ATOM 244 CB LYS A 26 -3.710 11.668 -9.465 1.00 13.20 C ATOM 245 CG LYS A 26 -3.288 12.119 -10.854 1.00 4.34 C ATOM 246 CD LYS A 26 -4.295 13.086 -11.457 1.00 13.10 C ATOM 247 CE LYS A 26 -4.339 12.973 -12.967 1.00 25.10 C ATOM 248 NZ LYS A 26 -5.353 11.984 -13.425 1.00 40.00 N ATOM 0 H LYS A 26 -3.711 11.006 -7.049 1.00 54.50 H new ATOM 0 HA LYS A 26 -2.182 12.911 -8.604 1.00 62.30 H new ATOM 0 HB2 LYS A 26 -3.356 10.650 -9.299 1.00 13.20 H new ATOM 0 HB3 LYS A 26 -4.799 11.639 -9.416 1.00 13.20 H new ATOM 0 HG2 LYS A 26 -2.310 12.597 -10.801 1.00 4.34 H new ATOM 0 HG3 LYS A 26 -3.183 11.250 -11.503 1.00 4.34 H new ATOM 0 HD2 LYS A 26 -5.285 12.884 -11.047 1.00 13.10 H new ATOM 0 HD3 LYS A 26 -4.035 14.106 -11.175 1.00 13.10 H new ATOM 0 HE2 LYS A 26 -4.565 13.949 -13.397 1.00 25.10 H new ATOM 0 HE3 LYS A 26 -3.356 12.682 -13.337 1.00 25.10 H new ATOM 0 HZ1 LYS A 26 -5.349 11.939 -14.464 1.00 40.00 H new ATOM 0 HZ2 LYS A 26 -5.124 11.047 -13.037 1.00 40.00 H new ATOM 0 HZ3 LYS A 26 -6.295 12.275 -13.095 1.00 40.00 H new ATOM 262 N ALA A 27 -5.153 13.633 -7.412 1.00 11.50 N ATOM 263 CA ALA A 27 -6.094 14.722 -7.181 1.00 71.20 C ATOM 264 C ALA A 27 -5.404 15.916 -6.531 1.00 34.20 C ATOM 265 O ALA A 27 -5.790 17.065 -6.751 1.00 5.30 O ATOM 266 CB ALA A 27 -7.252 14.244 -6.318 1.00 34.20 C ATOM 0 H ALA A 27 -5.387 12.764 -6.931 1.00 11.50 H new ATOM 0 HA ALA A 27 -6.484 15.044 -8.147 1.00 71.20 H new ATOM 0 HB1 ALA A 27 -7.947 15.067 -6.153 1.00 34.20 H new ATOM 0 HB2 ALA A 27 -7.769 13.428 -6.823 1.00 34.20 H new ATOM 0 HB3 ALA A 27 -6.871 13.894 -5.359 1.00 34.20 H new ATOM 272 N GLY A 28 -4.383 15.637 -5.727 1.00 20.20 N ATOM 273 CA GLY A 28 -3.655 16.698 -5.056 1.00 23.10 C ATOM 274 C GLY A 28 -3.415 16.399 -3.589 1.00 30.50 C ATOM 275 O GLY A 28 -2.445 16.878 -3.002 1.00 23.40 O ATOM 0 H GLY A 28 -4.047 14.695 -5.528 1.00 20.20 H new ATOM 0 HA2 GLY A 28 -2.697 16.849 -5.554 1.00 23.10 H new ATOM 0 HA3 GLY A 28 -4.212 17.631 -5.147 1.00 23.10 H new ATOM 279 N ASN A 29 -4.300 15.605 -2.996 1.00 10.10 N ATOM 280 CA ASN A 29 -4.180 15.242 -1.588 1.00 41.40 C ATOM 281 C ASN A 29 -2.960 14.355 -1.358 1.00 33.40 C ATOM 282 O ASN A 29 -2.460 13.717 -2.285 1.00 21.30 O ATOM 283 CB ASN A 29 -5.443 14.524 -1.115 1.00 31.20 C ATOM 284 CG ASN A 29 -6.581 15.485 -0.828 1.00 3.15 C ATOM 285 OD1 ASN A 29 -6.367 16.685 -0.653 1.00 63.40 O ATOM 286 ND2 ASN A 29 -7.800 14.960 -0.777 1.00 20.30 N ATOM 0 H ASN A 29 -5.108 15.200 -3.468 1.00 10.10 H new ATOM 0 HA ASN A 29 -4.055 16.159 -1.011 1.00 41.40 H new ATOM 0 HB2 ASN A 29 -5.758 13.809 -1.875 1.00 31.20 H new ATOM 0 HB3 ASN A 29 -5.217 13.953 -0.214 1.00 31.20 H new ATOM 0 HD21 ASN A 29 -8.605 15.557 -0.587 1.00 20.30 H new ATOM 0 HD22 ASN A 29 -7.931 13.960 -0.928 1.00 20.30 H new ATOM 293 N TYR A 30 -2.485 14.320 -0.117 1.00 21.20 N ATOM 294 CA TYR A 30 -1.324 13.510 0.233 1.00 60.30 C ATOM 295 C TYR A 30 -1.487 12.890 1.618 1.00 64.10 C ATOM 296 O TYR A 30 -1.299 11.687 1.796 1.00 32.20 O ATOM 297 CB TYR A 30 -0.053 14.360 0.189 1.00 54.40 C ATOM 298 CG TYR A 30 0.215 14.980 -1.164 1.00 71.30 C ATOM 299 CD1 TYR A 30 0.239 14.200 -2.314 1.00 73.30 C ATOM 300 CD2 TYR A 30 0.445 16.344 -1.292 1.00 62.50 C ATOM 301 CE1 TYR A 30 0.483 14.762 -3.552 1.00 43.10 C ATOM 302 CE2 TYR A 30 0.691 16.914 -2.527 1.00 4.44 C ATOM 303 CZ TYR A 30 0.709 16.118 -3.653 1.00 62.30 C ATOM 304 OH TYR A 30 0.953 16.682 -4.884 1.00 40.30 O ATOM 0 H TYR A 30 -2.886 14.842 0.662 1.00 21.20 H new ATOM 0 HA TYR A 30 -1.242 12.705 -0.497 1.00 60.30 H new ATOM 0 HB2 TYR A 30 -0.130 15.152 0.933 1.00 54.40 H new ATOM 0 HB3 TYR A 30 0.798 13.740 0.470 1.00 54.40 H new ATOM 0 HD1 TYR A 30 0.064 13.137 -2.238 1.00 73.30 H new ATOM 0 HD2 TYR A 30 0.431 16.970 -0.412 1.00 62.50 H new ATOM 0 HE1 TYR A 30 0.497 14.142 -4.436 1.00 43.10 H new ATOM 0 HE2 TYR A 30 0.868 17.976 -2.610 1.00 4.44 H new ATOM 0 HH TYR A 30 1.090 17.647 -4.780 1.00 40.30 H new ATOM 314 N GLU A 31 -1.835 13.721 2.596 1.00 23.50 N ATOM 315 CA GLU A 31 -2.021 13.254 3.966 1.00 2.42 C ATOM 316 C GLU A 31 -3.083 12.160 4.031 1.00 74.00 C ATOM 317 O GLU A 31 -2.848 11.085 4.582 1.00 71.10 O ATOM 318 CB GLU A 31 -2.415 14.419 4.875 1.00 64.20 C ATOM 319 CG GLU A 31 -1.855 14.308 6.283 1.00 24.40 C ATOM 320 CD GLU A 31 -2.444 13.145 7.056 1.00 53.50 C ATOM 321 OE1 GLU A 31 -3.519 13.321 7.667 1.00 42.20 O ATOM 322 OE2 GLU A 31 -1.830 12.057 7.050 1.00 3.24 O ATOM 0 H GLU A 31 -1.994 14.720 2.466 1.00 23.50 H new ATOM 0 HA GLU A 31 -1.075 12.836 4.311 1.00 2.42 H new ATOM 0 HB2 GLU A 31 -2.069 15.351 4.428 1.00 64.20 H new ATOM 0 HB3 GLU A 31 -3.502 14.475 4.929 1.00 64.20 H new ATOM 0 HG2 GLU A 31 -0.772 14.193 6.231 1.00 24.40 H new ATOM 0 HG3 GLU A 31 -2.052 15.235 6.822 1.00 24.40 H new ATOM 329 N GLU A 32 -4.252 12.441 3.464 1.00 30.10 N ATOM 330 CA GLU A 32 -5.348 11.481 3.459 1.00 73.40 C ATOM 331 C GLU A 32 -5.013 10.284 2.573 1.00 72.40 C ATOM 332 O GLU A 32 -5.429 9.159 2.850 1.00 22.10 O ATOM 333 CB GLU A 32 -6.638 12.146 2.974 1.00 4.21 C ATOM 334 CG GLU A 32 -6.461 12.960 1.703 1.00 10.50 C ATOM 335 CD GLU A 32 -6.337 14.445 1.974 1.00 2.35 C ATOM 336 OE1 GLU A 32 -7.379 15.101 2.181 1.00 14.40 O ATOM 337 OE2 GLU A 32 -5.197 14.954 1.982 1.00 1.23 O ATOM 0 H GLU A 32 -4.464 13.326 3.002 1.00 30.10 H new ATOM 0 HA GLU A 32 -5.495 11.128 4.480 1.00 73.40 H new ATOM 0 HB2 GLU A 32 -7.391 11.377 2.801 1.00 4.21 H new ATOM 0 HB3 GLU A 32 -7.021 12.795 3.761 1.00 4.21 H new ATOM 0 HG2 GLU A 32 -5.571 12.615 1.176 1.00 10.50 H new ATOM 0 HG3 GLU A 32 -7.310 12.785 1.043 1.00 10.50 H new ATOM 344 N ALA A 33 -4.259 10.536 1.510 1.00 71.30 N ATOM 345 CA ALA A 33 -3.865 9.481 0.585 1.00 65.40 C ATOM 346 C ALA A 33 -2.835 8.554 1.221 1.00 34.10 C ATOM 347 O ALA A 33 -2.819 7.352 0.957 1.00 73.00 O ATOM 348 CB ALA A 33 -3.314 10.082 -0.700 1.00 33.30 C ATOM 0 H ALA A 33 -3.908 11.462 1.267 1.00 71.30 H new ATOM 0 HA ALA A 33 -4.750 8.892 0.346 1.00 65.40 H new ATOM 0 HB1 ALA A 33 -3.024 9.282 -1.381 1.00 33.30 H new ATOM 0 HB2 ALA A 33 -4.079 10.699 -1.170 1.00 33.30 H new ATOM 0 HB3 ALA A 33 -2.443 10.696 -0.470 1.00 33.30 H new ATOM 354 N LEU A 34 -1.978 9.123 2.064 1.00 71.30 N ATOM 355 CA LEU A 34 -0.946 8.348 2.741 1.00 42.30 C ATOM 356 C LEU A 34 -1.569 7.313 3.671 1.00 60.50 C ATOM 357 O LEU A 34 -1.174 6.148 3.674 1.00 12.20 O ATOM 358 CB LEU A 34 -0.020 9.277 3.532 1.00 3.12 C ATOM 359 CG LEU A 34 1.306 9.608 2.844 1.00 53.10 C ATOM 360 CD1 LEU A 34 1.062 10.178 1.455 1.00 54.30 C ATOM 361 CD2 LEU A 34 2.113 10.583 3.689 1.00 43.30 C ATOM 0 H LEU A 34 -1.979 10.117 2.294 1.00 71.30 H new ATOM 0 HA LEU A 34 -0.361 7.824 1.985 1.00 42.30 H new ATOM 0 HB2 LEU A 34 -0.550 10.208 3.733 1.00 3.12 H new ATOM 0 HB3 LEU A 34 0.194 8.817 4.497 1.00 3.12 H new ATOM 0 HG LEU A 34 1.879 8.687 2.738 1.00 53.10 H new ATOM 0 HD11 LEU A 34 2.017 10.407 0.983 1.00 54.30 H new ATOM 0 HD12 LEU A 34 0.524 9.447 0.851 1.00 54.30 H new ATOM 0 HD13 LEU A 34 0.469 11.089 1.535 1.00 54.30 H new ATOM 0 HD21 LEU A 34 3.053 10.808 3.186 1.00 43.30 H new ATOM 0 HD22 LEU A 34 1.545 11.503 3.825 1.00 43.30 H new ATOM 0 HD23 LEU A 34 2.320 10.137 4.662 1.00 43.30 H new ATOM 373 N GLN A 35 -2.547 7.747 4.460 1.00 53.10 N ATOM 374 CA GLN A 35 -3.227 6.857 5.393 1.00 74.10 C ATOM 375 C GLN A 35 -3.906 5.712 4.650 1.00 24.10 C ATOM 376 O GLN A 35 -3.867 4.563 5.090 1.00 51.40 O ATOM 377 CB GLN A 35 -4.261 7.634 6.211 1.00 53.30 C ATOM 378 CG GLN A 35 -3.650 8.698 7.110 1.00 62.10 C ATOM 379 CD GLN A 35 -4.372 8.825 8.436 1.00 74.30 C ATOM 380 OE1 GLN A 35 -5.249 8.023 8.759 1.00 44.50 O ATOM 381 NE2 GLN A 35 -4.009 9.838 9.214 1.00 0.35 N ATOM 0 H GLN A 35 -2.886 8.709 4.471 1.00 53.10 H new ATOM 0 HA GLN A 35 -2.481 6.439 6.069 1.00 74.10 H new ATOM 0 HB2 GLN A 35 -4.969 8.108 5.531 1.00 53.30 H new ATOM 0 HB3 GLN A 35 -4.828 6.934 6.824 1.00 53.30 H new ATOM 0 HG2 GLN A 35 -2.603 8.457 7.292 1.00 62.10 H new ATOM 0 HG3 GLN A 35 -3.671 9.659 6.596 1.00 62.10 H new ATOM 0 HE21 GLN A 35 -3.277 10.480 8.908 1.00 0.35 H new ATOM 0 HE22 GLN A 35 -4.462 9.975 10.118 1.00 0.35 H new ATOM 390 N LEU A 36 -4.528 6.033 3.520 1.00 64.10 N ATOM 391 CA LEU A 36 -5.214 5.031 2.713 1.00 31.40 C ATOM 392 C LEU A 36 -4.212 4.137 1.990 1.00 13.50 C ATOM 393 O LEU A 36 -4.473 2.957 1.756 1.00 34.30 O ATOM 394 CB LEU A 36 -6.137 5.708 1.698 1.00 75.40 C ATOM 395 CG LEU A 36 -7.314 6.474 2.302 1.00 1.41 C ATOM 396 CD1 LEU A 36 -7.673 7.672 1.435 1.00 62.20 C ATOM 397 CD2 LEU A 36 -8.516 5.558 2.471 1.00 41.40 C ATOM 0 H LEU A 36 -4.571 6.980 3.143 1.00 64.10 H new ATOM 0 HA LEU A 36 -5.813 4.410 3.380 1.00 31.40 H new ATOM 0 HB2 LEU A 36 -5.546 6.398 1.096 1.00 75.40 H new ATOM 0 HB3 LEU A 36 -6.527 4.948 1.021 1.00 75.40 H new ATOM 0 HG LEU A 36 -7.018 6.838 3.286 1.00 1.41 H new ATOM 0 HD11 LEU A 36 -8.513 8.205 1.881 1.00 62.20 H new ATOM 0 HD12 LEU A 36 -6.815 8.341 1.365 1.00 62.20 H new ATOM 0 HD13 LEU A 36 -7.949 7.330 0.438 1.00 62.20 H new ATOM 0 HD21 LEU A 36 -9.344 6.120 2.902 1.00 41.40 H new ATOM 0 HD22 LEU A 36 -8.812 5.163 1.499 1.00 41.40 H new ATOM 0 HD23 LEU A 36 -8.254 4.733 3.133 1.00 41.40 H new ATOM 409 N TYR A 37 -3.064 4.708 1.640 1.00 62.20 N ATOM 410 CA TYR A 37 -2.021 3.963 0.944 1.00 13.50 C ATOM 411 C TYR A 37 -1.525 2.798 1.795 1.00 64.20 C ATOM 412 O TYR A 37 -1.550 1.646 1.364 1.00 11.40 O ATOM 413 CB TYR A 37 -0.852 4.887 0.594 1.00 13.00 C ATOM 414 CG TYR A 37 -0.965 5.513 -0.778 1.00 1.44 C ATOM 415 CD1 TYR A 37 -1.343 4.756 -1.880 1.00 53.50 C ATOM 416 CD2 TYR A 37 -0.691 6.861 -0.972 1.00 44.30 C ATOM 417 CE1 TYR A 37 -1.445 5.326 -3.135 1.00 55.20 C ATOM 418 CE2 TYR A 37 -0.792 7.438 -2.223 1.00 22.50 C ATOM 419 CZ TYR A 37 -1.169 6.666 -3.302 1.00 52.20 C ATOM 420 OH TYR A 37 -1.271 7.236 -4.549 1.00 3.25 O ATOM 0 H TYR A 37 -2.832 5.684 1.827 1.00 62.20 H new ATOM 0 HA TYR A 37 -2.447 3.563 0.024 1.00 13.50 H new ATOM 0 HB2 TYR A 37 -0.789 5.678 1.341 1.00 13.00 H new ATOM 0 HB3 TYR A 37 0.078 4.320 0.650 1.00 13.00 H new ATOM 0 HD1 TYR A 37 -1.561 3.706 -1.754 1.00 53.50 H new ATOM 0 HD2 TYR A 37 -0.394 7.469 -0.130 1.00 44.30 H new ATOM 0 HE1 TYR A 37 -1.740 4.724 -3.982 1.00 55.20 H new ATOM 0 HE2 TYR A 37 -0.577 8.488 -2.355 1.00 22.50 H new ATOM 0 HH TYR A 37 -1.229 6.536 -5.233 1.00 3.25 H new ATOM 430 N GLN A 38 -1.076 3.107 3.007 1.00 3.33 N ATOM 431 CA GLN A 38 -0.574 2.087 3.920 1.00 43.10 C ATOM 432 C GLN A 38 -1.659 1.062 4.238 1.00 43.00 C ATOM 433 O GLN A 38 -1.422 -0.145 4.179 1.00 64.00 O ATOM 434 CB GLN A 38 -0.071 2.732 5.213 1.00 62.10 C ATOM 435 CG GLN A 38 0.960 3.824 4.986 1.00 24.40 C ATOM 436 CD GLN A 38 0.943 4.877 6.076 1.00 41.40 C ATOM 437 OE1 GLN A 38 0.580 4.599 7.219 1.00 60.10 O ATOM 438 NE2 GLN A 38 1.337 6.097 5.728 1.00 50.00 N ATOM 0 H GLN A 38 -1.050 4.056 3.380 1.00 3.33 H new ATOM 0 HA GLN A 38 0.255 1.574 3.432 1.00 43.10 H new ATOM 0 HB2 GLN A 38 -0.919 3.151 5.754 1.00 62.10 H new ATOM 0 HB3 GLN A 38 0.363 1.961 5.849 1.00 62.10 H new ATOM 0 HG2 GLN A 38 1.952 3.376 4.934 1.00 24.40 H new ATOM 0 HG3 GLN A 38 0.774 4.300 4.023 1.00 24.40 H new ATOM 0 HE21 GLN A 38 1.630 6.284 4.769 1.00 50.00 H new ATOM 0 HE22 GLN A 38 1.347 6.847 6.420 1.00 50.00 H new ATOM 447 N HIS A 39 -2.848 1.551 4.576 1.00 22.40 N ATOM 448 CA HIS A 39 -3.968 0.677 4.903 1.00 74.00 C ATOM 449 C HIS A 39 -4.316 -0.226 3.725 1.00 4.34 C ATOM 450 O HIS A 39 -4.658 -1.394 3.904 1.00 13.00 O ATOM 451 CB HIS A 39 -5.190 1.508 5.302 1.00 41.30 C ATOM 452 CG HIS A 39 -5.144 1.999 6.715 1.00 64.40 C ATOM 453 ND1 HIS A 39 -6.224 1.938 7.569 1.00 23.30 N ATOM 454 CD2 HIS A 39 -4.137 2.563 7.425 1.00 22.30 C ATOM 455 CE1 HIS A 39 -5.886 2.443 8.742 1.00 5.14 C ATOM 456 NE2 HIS A 39 -4.625 2.828 8.681 1.00 13.40 N ATOM 0 H HIS A 39 -3.060 2.547 4.630 1.00 22.40 H new ATOM 0 HA HIS A 39 -3.673 0.049 5.744 1.00 74.00 H new ATOM 0 HB2 HIS A 39 -5.272 2.363 4.631 1.00 41.30 H new ATOM 0 HB3 HIS A 39 -6.089 0.907 5.164 1.00 41.30 H new ATOM 0 HD2 HIS A 39 -3.138 2.766 7.070 1.00 22.30 H new ATOM 0 HE1 HIS A 39 -6.531 2.527 9.604 1.00 5.14 H new ATOM 0 HE2 HIS A 39 -4.098 3.254 9.444 1.00 13.40 H new ATOM 465 N ALA A 40 -4.225 0.324 2.518 1.00 2.13 N ATOM 466 CA ALA A 40 -4.529 -0.432 1.309 1.00 23.50 C ATOM 467 C ALA A 40 -3.518 -1.552 1.094 1.00 72.40 C ATOM 468 O ALA A 40 -3.890 -2.700 0.851 1.00 11.10 O ATOM 469 CB ALA A 40 -4.559 0.494 0.102 1.00 22.40 C ATOM 0 H ALA A 40 -3.943 1.290 2.352 1.00 2.13 H new ATOM 0 HA ALA A 40 -5.513 -0.885 1.430 1.00 23.50 H new ATOM 0 HB1 ALA A 40 -4.787 -0.083 -0.794 1.00 22.40 H new ATOM 0 HB2 ALA A 40 -5.325 1.256 0.247 1.00 22.40 H new ATOM 0 HB3 ALA A 40 -3.587 0.973 -0.013 1.00 22.40 H new ATOM 475 N VAL A 41 -2.237 -1.210 1.184 1.00 32.40 N ATOM 476 CA VAL A 41 -1.170 -2.188 1.000 1.00 54.30 C ATOM 477 C VAL A 41 -1.228 -3.270 2.073 1.00 61.10 C ATOM 478 O VAL A 41 -0.891 -4.426 1.821 1.00 21.50 O ATOM 479 CB VAL A 41 0.218 -1.519 1.034 1.00 21.10 C ATOM 480 CG1 VAL A 41 1.306 -2.525 0.689 1.00 60.10 C ATOM 481 CG2 VAL A 41 0.263 -0.330 0.086 1.00 51.50 C ATOM 0 H VAL A 41 -1.912 -0.264 1.383 1.00 32.40 H new ATOM 0 HA VAL A 41 -1.321 -2.642 0.021 1.00 54.30 H new ATOM 0 HB VAL A 41 0.399 -1.155 2.045 1.00 21.10 H new ATOM 0 HG11 VAL A 41 2.278 -2.034 0.718 1.00 60.10 H new ATOM 0 HG12 VAL A 41 1.290 -3.341 1.412 1.00 60.10 H new ATOM 0 HG13 VAL A 41 1.130 -2.922 -0.311 1.00 60.10 H new ATOM 0 HG21 VAL A 41 1.251 0.129 0.124 1.00 51.50 H new ATOM 0 HG22 VAL A 41 0.059 -0.667 -0.930 1.00 51.50 H new ATOM 0 HG23 VAL A 41 -0.488 0.401 0.384 1.00 51.50 H new ATOM 491 N GLN A 42 -1.658 -2.886 3.270 1.00 63.30 N ATOM 492 CA GLN A 42 -1.761 -3.824 4.383 1.00 35.10 C ATOM 493 C GLN A 42 -2.758 -4.934 4.069 1.00 24.10 C ATOM 494 O GLN A 42 -2.516 -6.103 4.369 1.00 14.40 O ATOM 495 CB GLN A 42 -2.180 -3.091 5.658 1.00 70.00 C ATOM 496 CG GLN A 42 -1.020 -2.450 6.401 1.00 63.20 C ATOM 497 CD GLN A 42 -1.304 -2.265 7.879 1.00 1.32 C ATOM 498 OE1 GLN A 42 -2.148 -2.954 8.451 1.00 3.54 O ATOM 499 NE2 GLN A 42 -0.600 -1.330 8.505 1.00 72.10 N ATOM 0 H GLN A 42 -1.941 -1.932 3.495 1.00 63.30 H new ATOM 0 HA GLN A 42 -0.781 -4.275 4.537 1.00 35.10 H new ATOM 0 HB2 GLN A 42 -2.907 -2.320 5.402 1.00 70.00 H new ATOM 0 HB3 GLN A 42 -2.682 -3.794 6.323 1.00 70.00 H new ATOM 0 HG2 GLN A 42 -0.130 -3.068 6.281 1.00 63.20 H new ATOM 0 HG3 GLN A 42 -0.798 -1.481 5.954 1.00 63.20 H new ATOM 0 HE21 GLN A 42 0.090 -0.782 7.991 1.00 72.10 H new ATOM 0 HE22 GLN A 42 -0.749 -1.160 9.500 1.00 72.10 H new ATOM 508 N TYR A 43 -3.881 -4.560 3.463 1.00 64.40 N ATOM 509 CA TYR A 43 -4.915 -5.525 3.109 1.00 64.30 C ATOM 510 C TYR A 43 -4.479 -6.381 1.926 1.00 33.20 C ATOM 511 O TYR A 43 -4.821 -7.560 1.840 1.00 14.20 O ATOM 512 CB TYR A 43 -6.224 -4.804 2.780 1.00 51.10 C ATOM 513 CG TYR A 43 -7.001 -4.368 4.001 1.00 12.50 C ATOM 514 CD1 TYR A 43 -7.532 -5.304 4.881 1.00 54.00 C ATOM 515 CD2 TYR A 43 -7.203 -3.022 4.276 1.00 43.20 C ATOM 516 CE1 TYR A 43 -8.243 -4.910 5.998 1.00 20.10 C ATOM 517 CE2 TYR A 43 -7.913 -2.620 5.391 1.00 61.20 C ATOM 518 CZ TYR A 43 -8.431 -3.567 6.248 1.00 50.20 C ATOM 519 OH TYR A 43 -9.137 -3.171 7.360 1.00 72.00 O ATOM 0 H TYR A 43 -4.097 -3.597 3.207 1.00 64.40 H new ATOM 0 HA TYR A 43 -5.075 -6.179 3.966 1.00 64.30 H new ATOM 0 HB2 TYR A 43 -6.003 -3.929 2.169 1.00 51.10 H new ATOM 0 HB3 TYR A 43 -6.850 -5.463 2.178 1.00 51.10 H new ATOM 0 HD1 TYR A 43 -7.386 -6.357 4.688 1.00 54.00 H new ATOM 0 HD2 TYR A 43 -6.798 -2.277 3.607 1.00 43.20 H new ATOM 0 HE1 TYR A 43 -8.649 -5.650 6.672 1.00 20.10 H new ATOM 0 HE2 TYR A 43 -8.061 -1.569 5.590 1.00 61.20 H new ATOM 0 HH TYR A 43 -9.177 -2.192 7.390 1.00 72.00 H new ATOM 529 N PHE A 44 -3.723 -5.778 1.016 1.00 34.40 N ATOM 530 CA PHE A 44 -3.238 -6.482 -0.164 1.00 3.11 C ATOM 531 C PHE A 44 -2.387 -7.686 0.231 1.00 41.40 C ATOM 532 O PHE A 44 -2.634 -8.806 -0.213 1.00 25.10 O ATOM 533 CB PHE A 44 -2.425 -5.532 -1.046 1.00 52.10 C ATOM 534 CG PHE A 44 -3.180 -5.033 -2.244 1.00 15.10 C ATOM 535 CD1 PHE A 44 -3.823 -5.919 -3.093 1.00 53.40 C ATOM 536 CD2 PHE A 44 -3.248 -3.677 -2.521 1.00 50.00 C ATOM 537 CE1 PHE A 44 -4.519 -5.461 -4.197 1.00 20.20 C ATOM 538 CE2 PHE A 44 -3.942 -3.214 -3.622 1.00 44.00 C ATOM 539 CZ PHE A 44 -4.578 -4.107 -4.462 1.00 3.32 C ATOM 0 H PHE A 44 -3.433 -4.802 1.073 1.00 34.40 H new ATOM 0 HA PHE A 44 -4.100 -6.842 -0.725 1.00 3.11 H new ATOM 0 HB2 PHE A 44 -2.104 -4.679 -0.448 1.00 52.10 H new ATOM 0 HB3 PHE A 44 -1.523 -6.043 -1.382 1.00 52.10 H new ATOM 0 HD1 PHE A 44 -3.780 -6.979 -2.891 1.00 53.40 H new ATOM 0 HD2 PHE A 44 -2.752 -2.974 -1.868 1.00 50.00 H new ATOM 0 HE1 PHE A 44 -5.016 -6.162 -4.851 1.00 20.20 H new ATOM 0 HE2 PHE A 44 -3.987 -2.154 -3.826 1.00 44.00 H new ATOM 0 HZ PHE A 44 -5.120 -3.747 -5.324 1.00 3.32 H new ATOM 549 N LEU A 45 -1.384 -7.444 1.069 1.00 55.40 N ATOM 550 CA LEU A 45 -0.496 -8.506 1.526 1.00 73.50 C ATOM 551 C LEU A 45 -1.235 -9.485 2.433 1.00 32.40 C ATOM 552 O LEU A 45 -0.901 -10.664 2.492 1.00 64.20 O ATOM 553 CB LEU A 45 0.704 -7.914 2.267 1.00 64.10 C ATOM 554 CG LEU A 45 2.008 -8.690 2.114 1.00 53.50 C ATOM 555 CD1 LEU A 45 2.493 -8.645 0.673 1.00 74.20 C ATOM 556 CD2 LEU A 45 3.071 -8.143 3.054 1.00 52.20 C ATOM 0 H LEU A 45 -1.166 -6.521 1.445 1.00 55.40 H new ATOM 0 HA LEU A 45 -0.142 -9.049 0.649 1.00 73.50 H new ATOM 0 HB2 LEU A 45 0.862 -6.895 1.914 1.00 64.10 H new ATOM 0 HB3 LEU A 45 0.460 -7.849 3.327 1.00 64.10 H new ATOM 0 HG LEU A 45 1.819 -9.730 2.379 1.00 53.50 H new ATOM 0 HD11 LEU A 45 3.424 -9.204 0.585 1.00 74.20 H new ATOM 0 HD12 LEU A 45 1.740 -9.089 0.022 1.00 74.20 H new ATOM 0 HD13 LEU A 45 2.663 -7.609 0.378 1.00 74.20 H new ATOM 0 HD21 LEU A 45 3.993 -8.710 2.929 1.00 52.20 H new ATOM 0 HD22 LEU A 45 3.256 -7.094 2.823 1.00 52.20 H new ATOM 0 HD23 LEU A 45 2.726 -8.232 4.084 1.00 52.20 H new ATOM 568 N HIS A 46 -2.245 -8.984 3.138 1.00 41.40 N ATOM 569 CA HIS A 46 -3.033 -9.815 4.043 1.00 32.00 C ATOM 570 C HIS A 46 -3.670 -10.982 3.297 1.00 70.20 C ATOM 571 O HIS A 46 -3.542 -12.130 3.702 1.00 42.20 O ATOM 572 CB HIS A 46 -4.117 -8.977 4.723 1.00 53.30 C ATOM 573 CG HIS A 46 -4.689 -9.621 5.949 1.00 22.10 C ATOM 574 ND1 HIS A 46 -4.316 -9.268 7.229 1.00 12.30 N ATOM 575 CD2 HIS A 46 -5.613 -10.601 6.086 1.00 3.45 C ATOM 576 CE1 HIS A 46 -4.985 -10.004 8.099 1.00 54.20 C ATOM 577 NE2 HIS A 46 -5.779 -10.819 7.431 1.00 4.15 N ATOM 0 H HIS A 46 -2.537 -8.007 3.100 1.00 41.40 H new ATOM 0 HA HIS A 46 -2.363 -10.217 4.803 1.00 32.00 H new ATOM 0 HB2 HIS A 46 -3.699 -8.007 4.993 1.00 53.30 H new ATOM 0 HB3 HIS A 46 -4.921 -8.791 4.011 1.00 53.30 H new ATOM 0 HD2 HIS A 46 -6.124 -11.116 5.286 1.00 3.45 H new ATOM 0 HE1 HIS A 46 -4.897 -9.948 9.174 1.00 54.20 H new ATOM 0 HE2 HIS A 46 -6.414 -11.501 7.847 1.00 4.15 H new ATOM 586 N VAL A 47 -4.360 -10.674 2.203 1.00 14.30 N ATOM 587 CA VAL A 47 -5.017 -11.698 1.401 1.00 61.10 C ATOM 588 C VAL A 47 -3.999 -12.580 0.700 1.00 13.10 C ATOM 589 O VAL A 47 -4.247 -13.767 0.464 1.00 12.30 O ATOM 590 CB VAL A 47 -5.945 -11.073 0.342 1.00 35.20 C ATOM 591 CG1 VAL A 47 -7.207 -10.526 0.992 1.00 1.32 C ATOM 592 CG2 VAL A 47 -5.218 -9.982 -0.430 1.00 62.00 C ATOM 0 H VAL A 47 -4.478 -9.723 1.852 1.00 14.30 H new ATOM 0 HA VAL A 47 -5.611 -12.302 2.087 1.00 61.10 H new ATOM 0 HB VAL A 47 -6.236 -11.852 -0.363 1.00 35.20 H new ATOM 0 HG11 VAL A 47 -7.850 -10.089 0.228 1.00 1.32 H new ATOM 0 HG12 VAL A 47 -7.738 -11.335 1.493 1.00 1.32 H new ATOM 0 HG13 VAL A 47 -6.939 -9.762 1.721 1.00 1.32 H new ATOM 0 HG21 VAL A 47 -5.890 -9.553 -1.173 1.00 62.00 H new ATOM 0 HG22 VAL A 47 -4.894 -9.202 0.260 1.00 62.00 H new ATOM 0 HG23 VAL A 47 -4.348 -10.408 -0.930 1.00 62.00 H new ATOM 602 N VAL A 48 -2.846 -12.008 0.373 1.00 74.40 N ATOM 603 CA VAL A 48 -1.784 -12.753 -0.299 1.00 52.50 C ATOM 604 C VAL A 48 -1.107 -13.725 0.658 1.00 43.30 C ATOM 605 O VAL A 48 -0.753 -14.841 0.276 1.00 62.30 O ATOM 606 CB VAL A 48 -0.720 -11.806 -0.888 1.00 70.40 C ATOM 607 CG1 VAL A 48 0.293 -12.585 -1.713 1.00 71.40 C ATOM 608 CG2 VAL A 48 -1.379 -10.715 -1.727 1.00 71.40 C ATOM 0 H VAL A 48 -2.621 -11.031 0.562 1.00 74.40 H new ATOM 0 HA VAL A 48 -2.252 -13.311 -1.110 1.00 52.50 H new ATOM 0 HB VAL A 48 -0.190 -11.328 -0.064 1.00 70.40 H new ATOM 0 HG11 VAL A 48 1.036 -11.899 -2.120 1.00 71.40 H new ATOM 0 HG12 VAL A 48 0.788 -13.322 -1.080 1.00 71.40 H new ATOM 0 HG13 VAL A 48 -0.218 -13.094 -2.531 1.00 71.40 H new ATOM 0 HG21 VAL A 48 -0.612 -10.056 -2.134 1.00 71.40 H new ATOM 0 HG22 VAL A 48 -1.937 -11.172 -2.545 1.00 71.40 H new ATOM 0 HG23 VAL A 48 -2.060 -10.137 -1.102 1.00 71.40 H new ATOM 618 N LYS A 49 -0.928 -13.301 1.904 1.00 63.20 N ATOM 619 CA LYS A 49 -0.294 -14.134 2.916 1.00 3.31 C ATOM 620 C LYS A 49 -1.152 -15.355 3.227 1.00 12.10 C ATOM 621 O LYS A 49 -0.628 -16.440 3.507 1.00 55.10 O ATOM 622 CB LYS A 49 -0.051 -13.327 4.193 1.00 63.10 C ATOM 623 CG LYS A 49 1.247 -12.537 4.173 1.00 1.24 C ATOM 624 CD LYS A 49 1.296 -11.524 5.306 1.00 70.10 C ATOM 625 CE LYS A 49 2.079 -10.279 4.910 1.00 33.20 C ATOM 626 NZ LYS A 49 2.821 -9.700 6.065 1.00 70.40 N ATOM 0 H LYS A 49 -1.215 -12.381 2.237 1.00 63.20 H new ATOM 0 HA LYS A 49 0.664 -14.475 2.524 1.00 3.31 H new ATOM 0 HB2 LYS A 49 -0.883 -12.639 4.343 1.00 63.10 H new ATOM 0 HB3 LYS A 49 -0.041 -14.006 5.046 1.00 63.10 H new ATOM 0 HG2 LYS A 49 2.092 -13.220 4.257 1.00 1.24 H new ATOM 0 HG3 LYS A 49 1.347 -12.022 3.218 1.00 1.24 H new ATOM 0 HD2 LYS A 49 0.281 -11.242 5.587 1.00 70.10 H new ATOM 0 HD3 LYS A 49 1.755 -11.980 6.183 1.00 70.10 H new ATOM 0 HE2 LYS A 49 2.782 -10.529 4.115 1.00 33.20 H new ATOM 0 HE3 LYS A 49 1.395 -9.532 4.507 1.00 33.20 H new ATOM 0 HZ1 LYS A 49 2.804 -8.662 6.003 1.00 70.40 H new ATOM 0 HZ2 LYS A 49 2.371 -10.001 6.953 1.00 70.40 H new ATOM 0 HZ3 LYS A 49 3.806 -10.032 6.046 1.00 70.40 H new ATOM 640 N TYR A 50 -2.465 -15.181 3.179 1.00 13.10 N ATOM 641 CA TYR A 50 -3.394 -16.272 3.455 1.00 52.40 C ATOM 642 C TYR A 50 -3.996 -16.812 2.164 1.00 2.33 C ATOM 643 O TYR A 50 -3.657 -17.917 1.728 1.00 62.20 O ATOM 644 CB TYR A 50 -4.513 -15.786 4.386 1.00 52.00 C ATOM 645 CG TYR A 50 -4.025 -15.388 5.761 1.00 24.10 C ATOM 646 CD1 TYR A 50 -3.149 -14.326 5.926 1.00 1.13 C ATOM 647 CD2 TYR A 50 -4.440 -16.081 6.894 1.00 34.30 C ATOM 648 CE1 TYR A 50 -2.702 -13.957 7.181 1.00 55.00 C ATOM 649 CE2 TYR A 50 -3.999 -15.714 8.151 1.00 35.20 C ATOM 650 CZ TYR A 50 -3.128 -14.657 8.290 1.00 22.50 C ATOM 651 OH TYR A 50 -2.687 -14.291 9.541 1.00 75.30 O ATOM 0 H TYR A 50 -2.913 -14.294 2.951 1.00 13.10 H new ATOM 0 HA TYR A 50 -2.842 -17.076 3.942 1.00 52.40 H new ATOM 0 HB2 TYR A 50 -5.013 -14.934 3.926 1.00 52.00 H new ATOM 0 HB3 TYR A 50 -5.258 -16.575 4.488 1.00 52.00 H new ATOM 0 HD1 TYR A 50 -2.810 -13.778 5.059 1.00 1.13 H new ATOM 0 HD2 TYR A 50 -5.116 -16.917 6.789 1.00 34.30 H new ATOM 0 HE1 TYR A 50 -2.023 -13.125 7.292 1.00 55.00 H new ATOM 0 HE2 TYR A 50 -4.337 -16.255 9.022 1.00 35.20 H new ATOM 0 HH TYR A 50 -3.082 -14.885 10.214 1.00 75.30 H new ATOM 661 N GLU A 51 -4.887 -16.036 1.556 1.00 74.10 N ATOM 662 CA GLU A 51 -5.526 -16.445 0.318 1.00 30.20 C ATOM 663 C GLU A 51 -4.634 -16.156 -0.885 1.00 14.10 C ATOM 664 O GLU A 51 -4.773 -15.127 -1.547 1.00 64.30 O ATOM 665 CB GLU A 51 -6.864 -15.719 0.152 1.00 22.00 C ATOM 666 CG GLU A 51 -7.778 -16.355 -0.885 1.00 20.40 C ATOM 667 CD GLU A 51 -8.730 -17.368 -0.280 1.00 0.22 C ATOM 668 OE1 GLU A 51 -8.269 -18.455 0.109 1.00 22.40 O ATOM 669 OE2 GLU A 51 -9.943 -17.066 -0.195 1.00 42.50 O ATOM 0 H GLU A 51 -5.180 -15.123 1.902 1.00 74.10 H new ATOM 0 HA GLU A 51 -5.698 -17.520 0.369 1.00 30.20 H new ATOM 0 HB2 GLU A 51 -7.378 -15.698 1.113 1.00 22.00 H new ATOM 0 HB3 GLU A 51 -6.673 -14.684 -0.130 1.00 22.00 H new ATOM 0 HG2 GLU A 51 -8.353 -15.575 -1.385 1.00 20.40 H new ATOM 0 HG3 GLU A 51 -7.172 -16.843 -1.648 1.00 20.40 H new ATOM 676 N ALA A 52 -3.707 -17.076 -1.157 1.00 4.14 N ATOM 677 CA ALA A 52 -2.787 -16.923 -2.275 1.00 32.20 C ATOM 678 C ALA A 52 -3.218 -17.763 -3.461 1.00 14.20 C ATOM 679 O ALA A 52 -3.210 -19.001 -3.398 1.00 24.30 O ATOM 680 CB ALA A 52 -1.374 -17.290 -1.850 1.00 22.30 C ATOM 0 H ALA A 52 -3.577 -17.932 -0.617 1.00 4.14 H new ATOM 0 HA ALA A 52 -2.802 -15.877 -2.583 1.00 32.20 H new ATOM 0 HB1 ALA A 52 -0.697 -17.171 -2.696 1.00 22.30 H new ATOM 0 HB2 ALA A 52 -1.057 -16.637 -1.037 1.00 22.30 H new ATOM 0 HB3 ALA A 52 -1.353 -18.326 -1.512 1.00 22.30 H new ATOM 686 N GLN A 53 -3.602 -17.100 -4.550 1.00 51.20 N ATOM 687 CA GLN A 53 -4.039 -17.798 -5.755 1.00 72.30 C ATOM 688 C GLN A 53 -2.846 -18.294 -6.563 1.00 55.40 C ATOM 689 O GLN A 53 -2.593 -19.497 -6.643 1.00 40.00 O ATOM 690 CB GLN A 53 -4.902 -16.880 -6.619 1.00 14.30 C ATOM 691 CG GLN A 53 -5.433 -17.538 -7.872 1.00 44.30 C ATOM 692 CD GLN A 53 -4.559 -17.281 -9.083 1.00 2.11 C ATOM 693 OE1 GLN A 53 -3.702 -18.239 -9.404 1.00 70.20 O flip ATOM 694 NE2 GLN A 53 -4.660 -16.242 -9.729 1.00 70.30 N flip ATOM 0 H GLN A 53 -3.619 -16.083 -4.622 1.00 51.20 H new ATOM 0 HA GLN A 53 -4.631 -18.660 -5.446 1.00 72.30 H new ATOM 0 HB2 GLN A 53 -5.743 -16.522 -6.024 1.00 14.30 H new ATOM 0 HB3 GLN A 53 -4.316 -16.005 -6.900 1.00 14.30 H new ATOM 0 HG2 GLN A 53 -5.512 -18.613 -7.708 1.00 44.30 H new ATOM 0 HG3 GLN A 53 -6.440 -17.171 -8.071 1.00 44.30 H new ATOM 0 HE21 GLN A 53 -5.333 -15.530 -9.447 1.00 70.30 H new ATOM 0 HE22 GLN A 53 -4.071 -16.091 -10.548 1.00 70.30 H new ATOM 703 N GLY A 54 -2.103 -17.364 -7.153 1.00 33.10 N ATOM 704 CA GLY A 54 -0.945 -17.720 -7.945 1.00 13.00 C ATOM 705 C GLY A 54 0.105 -16.640 -7.970 1.00 32.50 C ATOM 706 O GLY A 54 -0.062 -15.592 -7.341 1.00 25.50 O ATOM 0 H GLY A 54 -2.286 -16.362 -7.095 1.00 33.10 H new ATOM 0 HA2 GLY A 54 -0.507 -18.636 -7.547 1.00 13.00 H new ATOM 0 HA3 GLY A 54 -1.262 -17.935 -8.966 1.00 13.00 H new ATOM 710 N ASP A 55 1.191 -16.881 -8.695 1.00 75.40 N ATOM 711 CA ASP A 55 2.276 -15.912 -8.796 1.00 74.00 C ATOM 712 C ASP A 55 1.817 -14.657 -9.533 1.00 21.20 C ATOM 713 O ASP A 55 2.278 -13.551 -9.244 1.00 1.04 O ATOM 714 CB ASP A 55 3.476 -16.534 -9.516 1.00 2.01 C ATOM 715 CG ASP A 55 4.795 -16.051 -8.949 1.00 21.00 C ATOM 716 OD1 ASP A 55 4.865 -15.808 -7.725 1.00 21.40 O ATOM 717 OD2 ASP A 55 5.765 -15.929 -9.726 1.00 72.20 O ATOM 0 H ASP A 55 1.344 -17.741 -9.222 1.00 75.40 H new ATOM 0 HA ASP A 55 2.574 -15.628 -7.787 1.00 74.00 H new ATOM 0 HB2 ASP A 55 3.423 -17.620 -9.435 1.00 2.01 H new ATOM 0 HB3 ASP A 55 3.427 -16.290 -10.577 1.00 2.01 H new ATOM 722 N LYS A 56 0.914 -14.832 -10.480 1.00 33.40 N ATOM 723 CA LYS A 56 0.392 -13.713 -11.260 1.00 71.00 C ATOM 724 C LYS A 56 -0.295 -12.695 -10.357 1.00 74.30 C ATOM 725 O LYS A 56 -0.015 -11.503 -10.428 1.00 45.50 O ATOM 726 CB LYS A 56 -0.592 -14.217 -12.321 1.00 31.30 C ATOM 727 CG LYS A 56 0.086 -14.747 -13.572 1.00 62.40 C ATOM 728 CD LYS A 56 -0.739 -14.453 -14.815 1.00 32.30 C ATOM 729 CE LYS A 56 -0.556 -15.534 -15.871 1.00 10.30 C ATOM 730 NZ LYS A 56 -1.748 -15.648 -16.757 1.00 51.10 N ATOM 0 H LYS A 56 0.523 -15.740 -10.732 1.00 33.40 H new ATOM 0 HA LYS A 56 1.231 -13.225 -11.755 1.00 71.00 H new ATOM 0 HB2 LYS A 56 -1.208 -15.006 -11.889 1.00 31.30 H new ATOM 0 HB3 LYS A 56 -1.264 -13.404 -12.598 1.00 31.30 H new ATOM 0 HG2 LYS A 56 1.073 -14.295 -13.673 1.00 62.40 H new ATOM 0 HG3 LYS A 56 0.236 -15.823 -13.479 1.00 62.40 H new ATOM 0 HD2 LYS A 56 -1.793 -14.380 -14.545 1.00 32.30 H new ATOM 0 HD3 LYS A 56 -0.448 -13.487 -15.227 1.00 32.30 H new ATOM 0 HE2 LYS A 56 0.324 -15.309 -16.473 1.00 10.30 H new ATOM 0 HE3 LYS A 56 -0.372 -16.491 -15.383 1.00 10.30 H new ATOM 0 HZ1 LYS A 56 -1.586 -16.394 -17.463 1.00 51.10 H new ATOM 0 HZ2 LYS A 56 -2.583 -15.888 -16.186 1.00 51.10 H new ATOM 0 HZ3 LYS A 56 -1.908 -14.742 -17.242 1.00 51.10 H new ATOM 744 N ALA A 57 -1.202 -13.175 -9.510 1.00 64.20 N ATOM 745 CA ALA A 57 -1.924 -12.308 -8.591 1.00 52.10 C ATOM 746 C ALA A 57 -0.985 -11.684 -7.573 1.00 35.10 C ATOM 747 O ALA A 57 -1.071 -10.490 -7.288 1.00 5.32 O ATOM 748 CB ALA A 57 -3.023 -13.086 -7.886 1.00 24.10 C ATOM 0 H ALA A 57 -1.453 -14.161 -9.443 1.00 64.20 H new ATOM 0 HA ALA A 57 -2.376 -11.503 -9.171 1.00 52.10 H new ATOM 0 HB1 ALA A 57 -3.555 -12.425 -7.202 1.00 24.10 H new ATOM 0 HB2 ALA A 57 -3.720 -13.481 -8.625 1.00 24.10 H new ATOM 0 HB3 ALA A 57 -2.583 -13.911 -7.325 1.00 24.10 H new ATOM 754 N LYS A 58 -0.089 -12.495 -7.023 1.00 52.20 N ATOM 755 CA LYS A 58 0.866 -12.011 -6.033 1.00 22.00 C ATOM 756 C LYS A 58 1.856 -11.036 -6.659 1.00 12.10 C ATOM 757 O LYS A 58 2.329 -10.111 -6.000 1.00 74.00 O ATOM 758 CB LYS A 58 1.623 -13.190 -5.415 1.00 52.10 C ATOM 759 CG LYS A 58 0.716 -14.299 -4.905 1.00 3.15 C ATOM 760 CD LYS A 58 1.386 -15.662 -5.002 1.00 71.20 C ATOM 761 CE LYS A 58 2.214 -15.955 -3.765 1.00 51.20 C ATOM 762 NZ LYS A 58 2.188 -17.404 -3.416 1.00 52.50 N ATOM 0 H LYS A 58 -0.004 -13.487 -7.244 1.00 52.20 H new ATOM 0 HA LYS A 58 0.311 -11.487 -5.255 1.00 22.00 H new ATOM 0 HB2 LYS A 58 2.304 -13.603 -6.159 1.00 52.10 H new ATOM 0 HB3 LYS A 58 2.235 -12.825 -4.590 1.00 52.10 H new ATOM 0 HG2 LYS A 58 0.445 -14.100 -3.868 1.00 3.15 H new ATOM 0 HG3 LYS A 58 -0.209 -14.306 -5.481 1.00 3.15 H new ATOM 0 HD2 LYS A 58 0.628 -16.435 -5.127 1.00 71.20 H new ATOM 0 HD3 LYS A 58 2.023 -15.695 -5.886 1.00 71.20 H new ATOM 0 HE2 LYS A 58 3.244 -15.639 -3.933 1.00 51.20 H new ATOM 0 HE3 LYS A 58 1.834 -15.372 -2.926 1.00 51.20 H new ATOM 0 HZ1 LYS A 58 3.106 -17.680 -3.012 1.00 52.50 H new ATOM 0 HZ2 LYS A 58 1.436 -17.580 -2.719 1.00 52.50 H new ATOM 0 HZ3 LYS A 58 2.004 -17.964 -4.273 1.00 52.50 H new ATOM 776 N GLN A 59 2.158 -11.241 -7.936 1.00 23.10 N ATOM 777 CA GLN A 59 3.091 -10.380 -8.651 1.00 63.50 C ATOM 778 C GLN A 59 2.486 -9.002 -8.879 1.00 74.30 C ATOM 779 O GLN A 59 3.193 -7.994 -8.872 1.00 64.30 O ATOM 780 CB GLN A 59 3.477 -11.008 -9.991 1.00 13.20 C ATOM 781 CG GLN A 59 4.576 -10.255 -10.723 1.00 53.40 C ATOM 782 CD GLN A 59 4.042 -9.125 -11.575 1.00 30.20 C ATOM 783 OE1 GLN A 59 4.390 -7.897 -11.213 1.00 53.10 O flip ATOM 784 NE2 GLN A 59 3.325 -9.353 -12.548 1.00 14.10 N flip ATOM 0 H GLN A 59 1.769 -11.998 -8.498 1.00 23.10 H new ATOM 0 HA GLN A 59 3.987 -10.270 -8.040 1.00 63.50 H new ATOM 0 HB2 GLN A 59 3.803 -12.034 -9.821 1.00 13.20 H new ATOM 0 HB3 GLN A 59 2.594 -11.055 -10.628 1.00 13.20 H new ATOM 0 HG2 GLN A 59 5.282 -9.854 -9.996 1.00 53.40 H new ATOM 0 HG3 GLN A 59 5.129 -10.951 -11.354 1.00 53.40 H new ATOM 0 HE21 GLN A 59 3.083 -10.314 -12.789 1.00 14.10 H new ATOM 0 HE22 GLN A 59 2.972 -8.581 -13.114 1.00 14.10 H new ATOM 793 N SER A 60 1.174 -8.964 -9.083 1.00 44.50 N ATOM 794 CA SER A 60 0.471 -7.707 -9.313 1.00 53.30 C ATOM 795 C SER A 60 0.361 -6.901 -8.023 1.00 42.40 C ATOM 796 O SER A 60 0.765 -5.741 -7.967 1.00 32.40 O ATOM 797 CB SER A 60 -0.923 -7.974 -9.883 1.00 75.00 C ATOM 798 OG SER A 60 -0.858 -8.297 -11.262 1.00 32.00 O ATOM 0 H SER A 60 0.575 -9.790 -9.094 1.00 44.50 H new ATOM 0 HA SER A 60 1.045 -7.126 -10.035 1.00 53.30 H new ATOM 0 HB2 SER A 60 -1.392 -8.792 -9.337 1.00 75.00 H new ATOM 0 HB3 SER A 60 -1.551 -7.095 -9.742 1.00 75.00 H new ATOM 0 HG SER A 60 -1.762 -8.465 -11.602 1.00 32.00 H new ATOM 804 N ILE A 61 -0.190 -7.525 -6.987 1.00 11.30 N ATOM 805 CA ILE A 61 -0.355 -6.867 -5.697 1.00 51.20 C ATOM 806 C ILE A 61 0.989 -6.416 -5.135 1.00 13.50 C ATOM 807 O ILE A 61 1.093 -5.348 -4.530 1.00 62.40 O ATOM 808 CB ILE A 61 -1.040 -7.794 -4.675 1.00 32.10 C ATOM 809 CG1 ILE A 61 -0.278 -9.116 -4.562 1.00 21.10 C ATOM 810 CG2 ILE A 61 -2.487 -8.041 -5.072 1.00 55.10 C ATOM 811 CD1 ILE A 61 0.660 -9.173 -3.374 1.00 12.20 C ATOM 0 H ILE A 61 -0.530 -8.486 -7.016 1.00 11.30 H new ATOM 0 HA ILE A 61 -0.988 -5.996 -5.866 1.00 51.20 H new ATOM 0 HB ILE A 61 -1.030 -7.307 -3.700 1.00 32.10 H new ATOM 0 HG12 ILE A 61 -0.995 -9.934 -4.489 1.00 21.10 H new ATOM 0 HG13 ILE A 61 0.295 -9.275 -5.475 1.00 21.10 H new ATOM 0 HG21 ILE A 61 -2.958 -8.698 -4.341 1.00 55.10 H new ATOM 0 HG22 ILE A 61 -3.022 -7.092 -5.105 1.00 55.10 H new ATOM 0 HG23 ILE A 61 -2.519 -8.511 -6.055 1.00 55.10 H new ATOM 0 HD11 ILE A 61 1.167 -10.138 -3.356 1.00 12.20 H new ATOM 0 HD12 ILE A 61 1.399 -8.376 -3.456 1.00 12.20 H new ATOM 0 HD13 ILE A 61 0.090 -9.046 -2.454 1.00 12.20 H new ATOM 823 N ARG A 62 2.015 -7.235 -5.338 1.00 70.10 N ATOM 824 CA ARG A 62 3.353 -6.920 -4.851 1.00 44.10 C ATOM 825 C ARG A 62 3.885 -5.651 -5.508 1.00 20.40 C ATOM 826 O ARG A 62 4.308 -4.717 -4.825 1.00 1.43 O ATOM 827 CB ARG A 62 4.304 -8.085 -5.122 1.00 72.30 C ATOM 828 CG ARG A 62 4.358 -9.102 -3.992 1.00 30.40 C ATOM 829 CD ARG A 62 5.761 -9.647 -3.800 1.00 75.10 C ATOM 830 NE ARG A 62 5.914 -10.980 -4.380 1.00 50.00 N ATOM 831 CZ ARG A 62 7.089 -11.529 -4.676 1.00 4.24 C ATOM 832 NH1 ARG A 62 8.215 -10.865 -4.449 1.00 24.40 N ATOM 833 NH2 ARG A 62 7.136 -12.743 -5.201 1.00 35.10 N ATOM 0 H ARG A 62 1.946 -8.122 -5.837 1.00 70.10 H new ATOM 0 HA ARG A 62 3.292 -6.753 -3.776 1.00 44.10 H new ATOM 0 HB2 ARG A 62 3.997 -8.589 -6.039 1.00 72.30 H new ATOM 0 HB3 ARG A 62 5.306 -7.693 -5.295 1.00 72.30 H new ATOM 0 HG2 ARG A 62 4.017 -8.637 -3.067 1.00 30.40 H new ATOM 0 HG3 ARG A 62 3.674 -9.923 -4.207 1.00 30.40 H new ATOM 0 HD2 ARG A 62 6.480 -8.968 -4.258 1.00 75.10 H new ATOM 0 HD3 ARG A 62 5.992 -9.686 -2.736 1.00 75.10 H new ATOM 0 HE ARG A 62 5.070 -11.521 -4.569 1.00 50.00 H new ATOM 0 HH11 ARG A 62 8.182 -9.929 -4.046 1.00 24.40 H new ATOM 0 HH12 ARG A 62 9.113 -11.291 -4.678 1.00 24.40 H new ATOM 0 HH21 ARG A 62 6.272 -13.256 -5.378 1.00 35.10 H new ATOM 0 HH22 ARG A 62 8.036 -13.166 -5.429 1.00 35.10 H new ATOM 847 N ALA A 63 3.862 -5.622 -6.836 1.00 33.20 N ATOM 848 CA ALA A 63 4.341 -4.466 -7.584 1.00 2.31 C ATOM 849 C ALA A 63 3.570 -3.208 -7.202 1.00 3.43 C ATOM 850 O ALA A 63 4.148 -2.130 -7.067 1.00 51.20 O ATOM 851 CB ALA A 63 4.230 -4.723 -9.080 1.00 34.30 C ATOM 0 H ALA A 63 3.517 -6.386 -7.417 1.00 33.20 H new ATOM 0 HA ALA A 63 5.389 -4.308 -7.331 1.00 2.31 H new ATOM 0 HB1 ALA A 63 4.591 -3.852 -9.627 1.00 34.30 H new ATOM 0 HB2 ALA A 63 4.831 -5.593 -9.345 1.00 34.30 H new ATOM 0 HB3 ALA A 63 3.188 -4.909 -9.341 1.00 34.30 H new ATOM 857 N LYS A 64 2.260 -3.353 -7.029 1.00 71.20 N ATOM 858 CA LYS A 64 1.408 -2.227 -6.661 1.00 21.20 C ATOM 859 C LYS A 64 1.660 -1.804 -5.219 1.00 75.30 C ATOM 860 O LYS A 64 1.535 -0.628 -4.875 1.00 33.00 O ATOM 861 CB LYS A 64 -0.065 -2.594 -6.847 1.00 0.12 C ATOM 862 CG LYS A 64 -0.600 -2.278 -8.236 1.00 3.12 C ATOM 863 CD LYS A 64 -0.576 -3.504 -9.134 1.00 64.10 C ATOM 864 CE LYS A 64 -1.487 -3.330 -10.338 1.00 60.30 C ATOM 865 NZ LYS A 64 -2.157 -4.605 -10.716 1.00 55.30 N ATOM 0 H LYS A 64 1.765 -4.238 -7.138 1.00 71.20 H new ATOM 0 HA LYS A 64 1.652 -1.389 -7.314 1.00 21.20 H new ATOM 0 HB2 LYS A 64 -0.193 -3.658 -6.651 1.00 0.12 H new ATOM 0 HB3 LYS A 64 -0.660 -2.059 -6.107 1.00 0.12 H new ATOM 0 HG2 LYS A 64 -1.620 -1.903 -8.157 1.00 3.12 H new ATOM 0 HG3 LYS A 64 -0.003 -1.485 -8.685 1.00 3.12 H new ATOM 0 HD2 LYS A 64 0.444 -3.689 -9.472 1.00 64.10 H new ATOM 0 HD3 LYS A 64 -0.887 -4.380 -8.564 1.00 64.10 H new ATOM 0 HE2 LYS A 64 -2.241 -2.575 -10.116 1.00 60.30 H new ATOM 0 HE3 LYS A 64 -0.906 -2.961 -11.183 1.00 60.30 H new ATOM 0 HZ1 LYS A 64 -2.769 -4.444 -11.541 1.00 55.30 H new ATOM 0 HZ2 LYS A 64 -1.438 -5.318 -10.952 1.00 55.30 H new ATOM 0 HZ3 LYS A 64 -2.732 -4.944 -9.919 1.00 55.30 H new ATOM 879 N CYS A 65 2.017 -2.768 -4.377 1.00 72.10 N ATOM 880 CA CYS A 65 2.288 -2.495 -2.971 1.00 21.30 C ATOM 881 C CYS A 65 3.516 -1.604 -2.817 1.00 74.30 C ATOM 882 O CYS A 65 3.544 -0.708 -1.973 1.00 21.10 O ATOM 883 CB CYS A 65 2.492 -3.803 -2.204 1.00 43.00 C ATOM 884 SG CYS A 65 0.955 -4.611 -1.701 1.00 41.20 S ATOM 0 H CYS A 65 2.125 -3.746 -4.645 1.00 72.10 H new ATOM 0 HA CYS A 65 1.427 -1.971 -2.557 1.00 21.30 H new ATOM 0 HB2 CYS A 65 3.065 -4.491 -2.826 1.00 43.00 H new ATOM 0 HB3 CYS A 65 3.091 -3.601 -1.316 1.00 43.00 H new ATOM 0 HG CYS A 65 0.435 -5.228 -2.721 1.00 41.20 H new ATOM 890 N THR A 66 4.530 -1.858 -3.639 1.00 62.40 N ATOM 891 CA THR A 66 5.762 -1.078 -3.595 1.00 43.30 C ATOM 892 C THR A 66 5.520 0.348 -4.077 1.00 42.50 C ATOM 893 O THR A 66 6.071 1.302 -3.527 1.00 11.40 O ATOM 894 CB THR A 66 6.841 -1.742 -4.451 1.00 53.20 C ATOM 895 OG1 THR A 66 6.973 -3.112 -4.117 1.00 15.20 O ATOM 896 CG2 THR A 66 8.203 -1.100 -4.303 1.00 52.20 C ATOM 0 H THR A 66 4.523 -2.597 -4.342 1.00 62.40 H new ATOM 0 HA THR A 66 6.102 -1.040 -2.560 1.00 43.30 H new ATOM 0 HB THR A 66 6.509 -1.617 -5.482 1.00 53.20 H new ATOM 0 HG1 THR A 66 6.206 -3.610 -4.469 1.00 15.20 H new ATOM 0 HG21 THR A 66 8.921 -1.620 -4.937 1.00 52.20 H new ATOM 0 HG22 THR A 66 8.146 -0.053 -4.602 1.00 52.20 H new ATOM 0 HG23 THR A 66 8.524 -1.164 -3.263 1.00 52.20 H new ATOM 904 N GLU A 67 4.693 0.487 -5.108 1.00 60.20 N ATOM 905 CA GLU A 67 4.377 1.798 -5.665 1.00 51.40 C ATOM 906 C GLU A 67 3.732 2.694 -4.612 1.00 45.30 C ATOM 907 O GLU A 67 4.064 3.875 -4.501 1.00 24.20 O ATOM 908 CB GLU A 67 3.445 1.653 -6.868 1.00 3.52 C ATOM 909 CG GLU A 67 3.933 0.646 -7.898 1.00 5.02 C ATOM 910 CD GLU A 67 4.535 1.308 -9.121 1.00 74.40 C ATOM 911 OE1 GLU A 67 5.699 1.752 -9.042 1.00 63.40 O ATOM 912 OE2 GLU A 67 3.838 1.382 -10.152 1.00 34.20 O ATOM 0 H GLU A 67 4.229 -0.292 -5.575 1.00 60.20 H new ATOM 0 HA GLU A 67 5.308 2.262 -5.990 1.00 51.40 H new ATOM 0 HB2 GLU A 67 2.457 1.353 -6.518 1.00 3.52 H new ATOM 0 HB3 GLU A 67 3.331 2.625 -7.348 1.00 3.52 H new ATOM 0 HG2 GLU A 67 4.677 -0.006 -7.439 1.00 5.02 H new ATOM 0 HG3 GLU A 67 3.100 0.013 -8.205 1.00 5.02 H new ATOM 919 N TYR A 68 2.809 2.126 -3.843 1.00 52.50 N ATOM 920 CA TYR A 68 2.117 2.875 -2.800 1.00 33.10 C ATOM 921 C TYR A 68 3.015 3.068 -1.583 1.00 54.10 C ATOM 922 O TYR A 68 3.091 4.162 -1.022 1.00 54.40 O ATOM 923 CB TYR A 68 0.833 2.151 -2.391 1.00 75.10 C ATOM 924 CG TYR A 68 -0.005 1.693 -3.563 1.00 11.20 C ATOM 925 CD1 TYR A 68 -0.185 2.506 -4.675 1.00 3.30 C ATOM 926 CD2 TYR A 68 -0.618 0.446 -3.557 1.00 33.00 C ATOM 927 CE1 TYR A 68 -0.952 2.091 -5.746 1.00 71.40 C ATOM 928 CE2 TYR A 68 -1.386 0.023 -4.625 1.00 52.40 C ATOM 929 CZ TYR A 68 -1.550 0.849 -5.717 1.00 23.10 C ATOM 930 OH TYR A 68 -2.313 0.432 -6.783 1.00 1.22 O ATOM 0 H TYR A 68 2.523 1.150 -3.922 1.00 52.50 H new ATOM 0 HA TYR A 68 1.861 3.856 -3.200 1.00 33.10 H new ATOM 0 HB2 TYR A 68 1.093 1.286 -1.781 1.00 75.10 H new ATOM 0 HB3 TYR A 68 0.236 2.814 -1.766 1.00 75.10 H new ATOM 0 HD1 TYR A 68 0.283 3.479 -4.702 1.00 3.30 H new ATOM 0 HD2 TYR A 68 -0.492 -0.203 -2.703 1.00 33.00 H new ATOM 0 HE1 TYR A 68 -1.083 2.736 -6.602 1.00 71.40 H new ATOM 0 HE2 TYR A 68 -1.855 -0.949 -4.605 1.00 52.40 H new ATOM 0 HH TYR A 68 -2.662 -0.466 -6.604 1.00 1.22 H new ATOM 940 N LEU A 69 3.695 2.000 -1.178 1.00 53.40 N ATOM 941 CA LEU A 69 4.589 2.053 -0.028 1.00 0.15 C ATOM 942 C LEU A 69 5.702 3.071 -0.250 1.00 24.10 C ATOM 943 O LEU A 69 5.970 3.910 0.610 1.00 20.10 O ATOM 944 CB LEU A 69 5.190 0.672 0.241 1.00 65.50 C ATOM 945 CG LEU A 69 4.206 -0.369 0.776 1.00 2.05 C ATOM 946 CD1 LEU A 69 4.609 -1.765 0.327 1.00 63.10 C ATOM 947 CD2 LEU A 69 4.127 -0.298 2.294 1.00 11.30 C ATOM 0 H LEU A 69 3.643 1.087 -1.630 1.00 53.40 H new ATOM 0 HA LEU A 69 4.006 2.363 0.840 1.00 0.15 H new ATOM 0 HB2 LEU A 69 5.626 0.296 -0.684 1.00 65.50 H new ATOM 0 HB3 LEU A 69 6.005 0.780 0.956 1.00 65.50 H new ATOM 0 HG LEU A 69 3.219 -0.149 0.370 1.00 2.05 H new ATOM 0 HD11 LEU A 69 3.897 -2.492 0.717 1.00 63.10 H new ATOM 0 HD12 LEU A 69 4.613 -1.810 -0.762 1.00 63.10 H new ATOM 0 HD13 LEU A 69 5.606 -1.995 0.704 1.00 63.10 H new ATOM 0 HD21 LEU A 69 3.422 -1.046 2.657 1.00 11.30 H new ATOM 0 HD22 LEU A 69 5.112 -0.491 2.719 1.00 11.30 H new ATOM 0 HD23 LEU A 69 3.790 0.694 2.595 1.00 11.30 H new ATOM 959 N ASP A 70 6.348 2.989 -1.408 1.00 14.10 N ATOM 960 CA ASP A 70 7.433 3.904 -1.743 1.00 63.10 C ATOM 961 C ASP A 70 6.921 5.335 -1.865 1.00 24.20 C ATOM 962 O ASP A 70 7.640 6.291 -1.572 1.00 35.20 O ATOM 963 CB ASP A 70 8.103 3.477 -3.051 1.00 32.30 C ATOM 964 CG ASP A 70 9.490 4.067 -3.209 1.00 13.20 C ATOM 965 OD1 ASP A 70 10.283 3.986 -2.247 1.00 45.20 O ATOM 966 OD2 ASP A 70 9.786 4.608 -4.295 1.00 10.40 O ATOM 0 H ASP A 70 6.139 2.299 -2.130 1.00 14.10 H new ATOM 0 HA ASP A 70 8.166 3.867 -0.938 1.00 63.10 H new ATOM 0 HB2 ASP A 70 8.168 2.389 -3.085 1.00 32.30 H new ATOM 0 HB3 ASP A 70 7.482 3.786 -3.892 1.00 32.30 H new ATOM 971 N ARG A 71 5.673 5.476 -2.299 1.00 61.40 N ATOM 972 CA ARG A 71 5.063 6.791 -2.460 1.00 2.44 C ATOM 973 C ARG A 71 4.609 7.349 -1.115 1.00 52.30 C ATOM 974 O ARG A 71 4.705 8.550 -0.865 1.00 41.20 O ATOM 975 CB ARG A 71 3.874 6.711 -3.420 1.00 44.10 C ATOM 976 CG ARG A 71 4.249 6.945 -4.874 1.00 14.30 C ATOM 977 CD ARG A 71 3.103 7.574 -5.650 1.00 63.10 C ATOM 978 NE ARG A 71 2.153 6.572 -6.130 1.00 30.20 N ATOM 979 CZ ARG A 71 2.355 5.812 -7.204 1.00 62.00 C ATOM 980 NH1 ARG A 71 3.472 5.935 -7.911 1.00 61.40 N ATOM 981 NH2 ARG A 71 1.440 4.926 -7.570 1.00 62.40 N ATOM 0 H ARG A 71 5.064 4.696 -2.546 1.00 61.40 H new ATOM 0 HA ARG A 71 5.813 7.463 -2.877 1.00 2.44 H new ATOM 0 HB2 ARG A 71 3.408 5.730 -3.327 1.00 44.10 H new ATOM 0 HB3 ARG A 71 3.128 7.448 -3.123 1.00 44.10 H new ATOM 0 HG2 ARG A 71 5.124 7.593 -4.926 1.00 14.30 H new ATOM 0 HG3 ARG A 71 4.526 5.998 -5.336 1.00 14.30 H new ATOM 0 HD2 ARG A 71 2.584 8.290 -5.013 1.00 63.10 H new ATOM 0 HD3 ARG A 71 3.502 8.131 -6.498 1.00 63.10 H new ATOM 0 HE ARG A 71 1.284 6.448 -5.611 1.00 30.20 H new ATOM 0 HH11 ARG A 71 4.180 6.614 -7.632 1.00 61.40 H new ATOM 0 HH12 ARG A 71 3.622 5.350 -8.733 1.00 61.40 H new ATOM 0 HH21 ARG A 71 0.581 4.827 -7.029 1.00 62.40 H new ATOM 0 HH22 ARG A 71 1.595 4.344 -8.393 1.00 62.40 H new ATOM 995 N ALA A 72 4.114 6.467 -0.252 1.00 61.10 N ATOM 996 CA ALA A 72 3.645 6.871 1.069 1.00 32.10 C ATOM 997 C ALA A 72 4.755 7.555 1.861 1.00 44.10 C ATOM 998 O ALA A 72 4.515 8.541 2.559 1.00 23.40 O ATOM 999 CB ALA A 72 3.116 5.665 1.831 1.00 65.10 C ATOM 0 H ALA A 72 4.027 5.469 -0.444 1.00 61.10 H new ATOM 0 HA ALA A 72 2.835 7.588 0.937 1.00 32.10 H new ATOM 0 HB1 ALA A 72 2.769 5.980 2.815 1.00 65.10 H new ATOM 0 HB2 ALA A 72 2.288 5.221 1.279 1.00 65.10 H new ATOM 0 HB3 ALA A 72 3.912 4.929 1.945 1.00 65.10 H new ATOM 1005 N GLU A 73 5.968 7.026 1.749 1.00 24.30 N ATOM 1006 CA GLU A 73 7.115 7.585 2.455 1.00 22.30 C ATOM 1007 C GLU A 73 7.646 8.821 1.736 1.00 5.41 C ATOM 1008 O GLU A 73 8.122 9.763 2.369 1.00 2.20 O ATOM 1009 CB GLU A 73 8.223 6.539 2.582 1.00 30.10 C ATOM 1010 CG GLU A 73 8.993 6.624 3.890 1.00 52.40 C ATOM 1011 CD GLU A 73 9.860 5.405 4.137 1.00 51.10 C ATOM 1012 OE1 GLU A 73 10.444 4.885 3.163 1.00 0.13 O ATOM 1013 OE2 GLU A 73 9.952 4.968 5.303 1.00 14.20 O ATOM 0 H GLU A 73 6.183 6.210 1.176 1.00 24.30 H new ATOM 0 HA GLU A 73 6.788 7.879 3.452 1.00 22.30 H new ATOM 0 HB2 GLU A 73 7.785 5.545 2.492 1.00 30.10 H new ATOM 0 HB3 GLU A 73 8.919 6.657 1.752 1.00 30.10 H new ATOM 0 HG2 GLU A 73 9.620 7.515 3.881 1.00 52.40 H new ATOM 0 HG3 GLU A 73 8.289 6.738 4.715 1.00 52.40 H new ATOM 1020 N LYS A 74 7.561 8.809 0.410 1.00 31.10 N ATOM 1021 CA LYS A 74 8.033 9.929 -0.396 1.00 73.10 C ATOM 1022 C LYS A 74 7.184 11.173 -0.151 1.00 41.30 C ATOM 1023 O LYS A 74 7.711 12.262 0.073 1.00 64.00 O ATOM 1024 CB LYS A 74 8.007 9.560 -1.882 1.00 21.00 C ATOM 1025 CG LYS A 74 9.247 10.005 -2.640 1.00 5.14 C ATOM 1026 CD LYS A 74 9.711 8.941 -3.623 1.00 25.30 C ATOM 1027 CE LYS A 74 10.891 8.154 -3.076 1.00 45.40 C ATOM 1028 NZ LYS A 74 10.563 7.486 -1.786 1.00 41.30 N ATOM 0 H LYS A 74 7.170 8.036 -0.129 1.00 31.10 H new ATOM 0 HA LYS A 74 9.059 10.151 -0.102 1.00 73.10 H new ATOM 0 HB2 LYS A 74 7.901 8.479 -1.978 1.00 21.00 H new ATOM 0 HB3 LYS A 74 7.128 10.009 -2.344 1.00 21.00 H new ATOM 0 HG2 LYS A 74 9.034 10.930 -3.177 1.00 5.14 H new ATOM 0 HG3 LYS A 74 10.048 10.223 -1.934 1.00 5.14 H new ATOM 0 HD2 LYS A 74 8.888 8.261 -3.840 1.00 25.30 H new ATOM 0 HD3 LYS A 74 9.992 9.412 -4.565 1.00 25.30 H new ATOM 0 HE2 LYS A 74 11.197 7.404 -3.806 1.00 45.40 H new ATOM 0 HE3 LYS A 74 11.739 8.824 -2.933 1.00 45.40 H new ATOM 0 HZ1 LYS A 74 11.214 6.690 -1.632 1.00 41.30 H new ATOM 0 HZ2 LYS A 74 10.661 8.168 -1.007 1.00 41.30 H new ATOM 0 HZ3 LYS A 74 9.585 7.133 -1.817 1.00 41.30 H new ATOM 1042 N LEU A 75 5.866 11.002 -0.197 1.00 72.10 N ATOM 1043 CA LEU A 75 4.945 12.112 0.019 1.00 0.23 C ATOM 1044 C LEU A 75 4.948 12.545 1.482 1.00 43.20 C ATOM 1045 O LEU A 75 4.735 13.717 1.793 1.00 71.50 O ATOM 1046 CB LEU A 75 3.529 11.716 -0.403 1.00 63.10 C ATOM 1047 CG LEU A 75 3.426 11.032 -1.767 1.00 60.20 C ATOM 1048 CD1 LEU A 75 2.264 10.050 -1.785 1.00 70.40 C ATOM 1049 CD2 LEU A 75 3.269 12.067 -2.871 1.00 63.40 C ATOM 0 H LEU A 75 5.413 10.107 -0.382 1.00 72.10 H new ATOM 0 HA LEU A 75 5.278 12.952 -0.591 1.00 0.23 H new ATOM 0 HB2 LEU A 75 3.114 11.049 0.353 1.00 63.10 H new ATOM 0 HB3 LEU A 75 2.906 12.611 -0.415 1.00 63.10 H new ATOM 0 HG LEU A 75 4.347 10.477 -1.945 1.00 60.20 H new ATOM 0 HD11 LEU A 75 2.206 9.573 -2.763 1.00 70.40 H new ATOM 0 HD12 LEU A 75 2.418 9.290 -1.019 1.00 70.40 H new ATOM 0 HD13 LEU A 75 1.334 10.583 -1.586 1.00 70.40 H new ATOM 0 HD21 LEU A 75 3.197 11.563 -3.835 1.00 63.40 H new ATOM 0 HD22 LEU A 75 2.364 12.649 -2.698 1.00 63.40 H new ATOM 0 HD23 LEU A 75 4.133 12.731 -2.873 1.00 63.40 H new ATOM 1061 N LYS A 76 5.190 11.592 2.377 1.00 2.34 N ATOM 1062 CA LYS A 76 5.219 11.875 3.807 1.00 15.50 C ATOM 1063 C LYS A 76 6.279 12.921 4.134 1.00 32.20 C ATOM 1064 O LYS A 76 5.998 13.915 4.804 1.00 22.40 O ATOM 1065 CB LYS A 76 5.492 10.593 4.596 1.00 65.10 C ATOM 1066 CG LYS A 76 5.502 10.797 6.102 1.00 23.00 C ATOM 1067 CD LYS A 76 5.293 9.486 6.843 1.00 43.40 C ATOM 1068 CE LYS A 76 6.593 8.710 6.980 1.00 70.30 C ATOM 1069 NZ LYS A 76 7.233 8.929 8.307 1.00 24.30 N ATOM 0 H LYS A 76 5.369 10.617 2.137 1.00 2.34 H new ATOM 0 HA LYS A 76 4.244 12.270 4.093 1.00 15.50 H new ATOM 0 HB2 LYS A 76 4.734 9.852 4.343 1.00 65.10 H new ATOM 0 HB3 LYS A 76 6.454 10.184 4.287 1.00 65.10 H new ATOM 0 HG2 LYS A 76 6.451 11.240 6.404 1.00 23.00 H new ATOM 0 HG3 LYS A 76 4.719 11.502 6.380 1.00 23.00 H new ATOM 0 HD2 LYS A 76 4.882 9.688 7.832 1.00 43.40 H new ATOM 0 HD3 LYS A 76 4.560 8.879 6.311 1.00 43.40 H new ATOM 0 HE2 LYS A 76 6.397 7.647 6.842 1.00 70.30 H new ATOM 0 HE3 LYS A 76 7.281 9.012 6.191 1.00 70.30 H new ATOM 0 HZ1 LYS A 76 8.116 8.383 8.361 1.00 24.30 H new ATOM 0 HZ2 LYS A 76 7.443 9.940 8.428 1.00 24.30 H new ATOM 0 HZ3 LYS A 76 6.587 8.617 9.060 1.00 24.30 H new ATOM 1083 N GLU A 77 7.497 12.694 3.655 1.00 32.30 N ATOM 1084 CA GLU A 77 8.600 13.618 3.895 1.00 34.30 C ATOM 1085 C GLU A 77 8.411 14.908 3.104 1.00 2.21 C ATOM 1086 O GLU A 77 8.878 15.973 3.510 1.00 52.50 O ATOM 1087 CB GLU A 77 9.931 12.966 3.519 1.00 14.20 C ATOM 1088 CG GLU A 77 10.493 12.061 4.604 1.00 54.40 C ATOM 1089 CD GLU A 77 11.686 11.255 4.129 1.00 50.10 C ATOM 1090 OE1 GLU A 77 11.476 10.211 3.476 1.00 41.20 O ATOM 1091 OE2 GLU A 77 12.831 11.666 4.412 1.00 52.20 O ATOM 0 H GLU A 77 7.746 11.877 3.097 1.00 32.30 H new ATOM 0 HA GLU A 77 8.611 13.863 4.957 1.00 34.30 H new ATOM 0 HB2 GLU A 77 9.797 12.385 2.607 1.00 14.20 H new ATOM 0 HB3 GLU A 77 10.658 13.747 3.296 1.00 14.20 H new ATOM 0 HG2 GLU A 77 10.786 12.667 5.462 1.00 54.40 H new ATOM 0 HG3 GLU A 77 9.712 11.381 4.946 1.00 54.40 H new ATOM 1098 N TYR A 78 7.724 14.807 1.969 1.00 60.30 N ATOM 1099 CA TYR A 78 7.472 15.963 1.118 1.00 13.30 C ATOM 1100 C TYR A 78 6.743 17.061 1.894 1.00 13.20 C ATOM 1101 O TYR A 78 7.127 18.230 1.844 1.00 23.00 O ATOM 1102 CB TYR A 78 6.665 15.538 -0.118 1.00 74.10 C ATOM 1103 CG TYR A 78 5.554 16.492 -0.506 1.00 12.00 C ATOM 1104 CD1 TYR A 78 4.319 16.442 0.128 1.00 72.50 C ATOM 1105 CD2 TYR A 78 5.741 17.439 -1.505 1.00 25.30 C ATOM 1106 CE1 TYR A 78 3.302 17.310 -0.220 1.00 21.50 C ATOM 1107 CE2 TYR A 78 4.728 18.311 -1.860 1.00 33.00 C ATOM 1108 CZ TYR A 78 3.512 18.243 -1.215 1.00 20.20 C ATOM 1109 OH TYR A 78 2.502 19.109 -1.565 1.00 21.40 O ATOM 0 H TYR A 78 7.332 13.933 1.618 1.00 60.30 H new ATOM 0 HA TYR A 78 8.428 16.369 0.787 1.00 13.30 H new ATOM 0 HB2 TYR A 78 7.347 15.433 -0.962 1.00 74.10 H new ATOM 0 HB3 TYR A 78 6.233 14.555 0.067 1.00 74.10 H new ATOM 0 HD1 TYR A 78 4.151 15.712 0.906 1.00 72.50 H new ATOM 0 HD2 TYR A 78 6.693 17.495 -2.013 1.00 25.30 H new ATOM 0 HE1 TYR A 78 2.348 17.259 0.284 1.00 21.50 H new ATOM 0 HE2 TYR A 78 4.889 19.042 -2.639 1.00 33.00 H new ATOM 0 HH TYR A 78 1.637 18.716 -1.327 1.00 21.40 H new ATOM 1119 N LEU A 79 5.690 16.676 2.609 1.00 52.10 N ATOM 1120 CA LEU A 79 4.910 17.629 3.390 1.00 71.00 C ATOM 1121 C LEU A 79 5.432 17.724 4.821 1.00 3.54 C ATOM 1122 O LEU A 79 5.322 18.769 5.462 1.00 75.30 O ATOM 1123 CB LEU A 79 3.432 17.227 3.399 1.00 30.10 C ATOM 1124 CG LEU A 79 3.135 15.856 4.009 1.00 73.50 C ATOM 1125 CD1 LEU A 79 3.010 15.960 5.521 1.00 11.30 C ATOM 1126 CD2 LEU A 79 1.867 15.271 3.405 1.00 11.00 C ATOM 0 H LEU A 79 5.358 15.713 2.663 1.00 52.10 H new ATOM 0 HA LEU A 79 5.011 18.608 2.922 1.00 71.00 H new ATOM 0 HB2 LEU A 79 2.870 17.981 3.949 1.00 30.10 H new ATOM 0 HB3 LEU A 79 3.062 17.239 2.374 1.00 30.10 H new ATOM 0 HG LEU A 79 3.966 15.188 3.780 1.00 73.50 H new ATOM 0 HD11 LEU A 79 2.799 14.975 5.937 1.00 11.30 H new ATOM 0 HD12 LEU A 79 3.944 16.338 5.938 1.00 11.30 H new ATOM 0 HD13 LEU A 79 2.198 16.642 5.773 1.00 11.30 H new ATOM 0 HD21 LEU A 79 1.669 14.295 3.849 1.00 11.00 H new ATOM 0 HD22 LEU A 79 1.028 15.938 3.604 1.00 11.00 H new ATOM 0 HD23 LEU A 79 1.994 15.160 2.328 1.00 11.00 H new ATOM 1138 N LYS A 80 6.001 16.629 5.315 1.00 1.32 N ATOM 1139 CA LYS A 80 6.540 16.596 6.670 1.00 42.50 C ATOM 1140 C LYS A 80 7.793 17.459 6.779 1.00 30.40 C ATOM 1141 O LYS A 80 7.982 18.173 7.764 1.00 23.20 O ATOM 1142 CB LYS A 80 6.862 15.157 7.079 1.00 44.20 C ATOM 1143 CG LYS A 80 7.336 15.025 8.517 1.00 14.10 C ATOM 1144 CD LYS A 80 6.194 14.650 9.447 1.00 41.40 C ATOM 1145 CE LYS A 80 6.670 13.755 10.581 1.00 20.10 C ATOM 1146 NZ LYS A 80 5.543 13.019 11.218 1.00 31.40 N ATOM 0 H LYS A 80 6.101 15.755 4.799 1.00 1.32 H new ATOM 0 HA LYS A 80 5.784 16.998 7.344 1.00 42.50 H new ATOM 0 HB2 LYS A 80 5.973 14.541 6.940 1.00 44.20 H new ATOM 0 HB3 LYS A 80 7.630 14.762 6.414 1.00 44.20 H new ATOM 0 HG2 LYS A 80 8.118 14.268 8.576 1.00 14.10 H new ATOM 0 HG3 LYS A 80 7.778 15.966 8.843 1.00 14.10 H new ATOM 0 HD2 LYS A 80 5.747 15.555 9.859 1.00 41.40 H new ATOM 0 HD3 LYS A 80 5.415 14.139 8.881 1.00 41.40 H new ATOM 0 HE2 LYS A 80 7.400 13.041 10.198 1.00 20.10 H new ATOM 0 HE3 LYS A 80 7.179 14.360 11.332 1.00 20.10 H new ATOM 0 HZ1 LYS A 80 5.909 12.420 11.986 1.00 31.40 H new ATOM 0 HZ2 LYS A 80 4.859 13.700 11.606 1.00 31.40 H new ATOM 0 HZ3 LYS A 80 5.073 12.422 10.508 1.00 31.40 H new ATOM 1160 N ASN A 81 8.644 17.388 5.762 1.00 54.40 N ATOM 1161 CA ASN A 81 9.879 18.165 5.744 1.00 31.10 C ATOM 1162 C ASN A 81 9.665 19.513 5.063 1.00 44.10 C ATOM 1163 O ASN A 81 9.926 20.562 5.648 1.00 61.10 O ATOM 1164 CB ASN A 81 10.983 17.387 5.025 1.00 53.40 C ATOM 1165 CG ASN A 81 11.263 16.046 5.674 1.00 11.40 C ATOM 1166 OD1 ASN A 81 10.690 15.714 6.712 1.00 3.42 O ATOM 1167 ND2 ASN A 81 12.148 15.266 5.065 1.00 14.50 N ATOM 0 H ASN A 81 8.502 16.801 4.940 1.00 54.40 H new ATOM 0 HA ASN A 81 10.182 18.344 6.776 1.00 31.10 H new ATOM 0 HB2 ASN A 81 10.695 17.231 3.985 1.00 53.40 H new ATOM 0 HB3 ASN A 81 11.897 17.982 5.017 1.00 53.40 H new ATOM 0 HD21 ASN A 81 12.376 14.352 5.456 1.00 14.50 H new ATOM 0 HD22 ASN A 81 12.599 15.581 4.206 1.00 14.50 H new TER 1174 ASN A 81 ATOM 1175 N ASP B 116 9.268 -10.274 -1.994 1.00 2.12 N ATOM 1176 CA ASP B 116 8.164 -10.028 -1.075 1.00 72.30 C ATOM 1177 C ASP B 116 8.673 -9.476 0.254 1.00 42.10 C ATOM 1178 O ASP B 116 7.986 -8.699 0.922 1.00 1.43 O ATOM 1179 CB ASP B 116 7.370 -11.312 -0.840 1.00 63.30 C ATOM 1180 CG ASP B 116 8.212 -12.404 -0.228 1.00 40.00 C ATOM 1181 OD1 ASP B 116 8.857 -13.164 -0.991 1.00 42.30 O ATOM 1182 OD2 ASP B 116 8.237 -12.519 1.017 1.00 30.20 O ATOM 0 HA ASP B 116 7.508 -9.284 -1.527 1.00 72.30 H new ATOM 0 HB2 ASP B 116 6.525 -11.099 -0.186 1.00 63.30 H new ATOM 0 HB3 ASP B 116 6.960 -11.661 -1.788 1.00 63.30 H new ATOM 1187 N GLU B 117 9.878 -9.884 0.632 1.00 41.20 N ATOM 1188 CA GLU B 117 10.481 -9.436 1.883 1.00 41.40 C ATOM 1189 C GLU B 117 10.631 -7.922 1.901 1.00 23.40 C ATOM 1190 O GLU B 117 10.554 -7.292 2.957 1.00 72.40 O ATOM 1191 CB GLU B 117 11.849 -10.100 2.082 1.00 11.10 C ATOM 1192 CG GLU B 117 11.764 -11.521 2.608 1.00 60.30 C ATOM 1193 CD GLU B 117 11.943 -11.597 4.111 1.00 43.20 C ATOM 1194 OE1 GLU B 117 13.092 -11.454 4.580 1.00 72.30 O ATOM 1195 OE2 GLU B 117 10.934 -11.800 4.820 1.00 71.30 O ATOM 0 H GLU B 117 10.458 -10.525 0.090 1.00 41.20 H new ATOM 0 HA GLU B 117 9.822 -9.727 2.700 1.00 41.40 H new ATOM 0 HB2 GLU B 117 12.383 -10.105 1.132 1.00 11.10 H new ATOM 0 HB3 GLU B 117 12.438 -9.499 2.775 1.00 11.10 H new ATOM 0 HG2 GLU B 117 10.798 -11.947 2.339 1.00 60.30 H new ATOM 0 HG3 GLU B 117 12.527 -12.130 2.124 1.00 60.30 H new ATOM 1202 N GLU B 118 10.842 -7.335 0.726 1.00 21.20 N ATOM 1203 CA GLU B 118 11.002 -5.892 0.607 1.00 65.40 C ATOM 1204 C GLU B 118 9.675 -5.176 0.853 1.00 34.20 C ATOM 1205 O GLU B 118 9.626 -4.175 1.561 1.00 20.10 O ATOM 1206 CB GLU B 118 11.539 -5.525 -0.777 1.00 31.40 C ATOM 1207 CG GLU B 118 13.059 -5.502 -0.851 1.00 63.40 C ATOM 1208 CD GLU B 118 13.634 -6.740 -1.517 1.00 53.10 C ATOM 1209 OE1 GLU B 118 13.778 -7.764 -0.828 1.00 31.20 O ATOM 1210 OE2 GLU B 118 13.933 -6.672 -2.728 1.00 70.10 O ATOM 0 H GLU B 118 10.906 -7.839 -0.158 1.00 21.20 H new ATOM 0 HA GLU B 118 11.718 -5.570 1.363 1.00 65.40 H new ATOM 0 HB2 GLU B 118 11.158 -6.239 -1.507 1.00 31.40 H new ATOM 0 HB3 GLU B 118 11.154 -4.545 -1.059 1.00 31.40 H new ATOM 0 HG2 GLU B 118 13.378 -4.617 -1.402 1.00 63.40 H new ATOM 0 HG3 GLU B 118 13.466 -5.415 0.156 1.00 63.40 H new ATOM 1217 N ILE B 119 8.607 -5.702 0.263 1.00 42.50 N ATOM 1218 CA ILE B 119 7.285 -5.121 0.420 1.00 34.50 C ATOM 1219 C ILE B 119 6.780 -5.277 1.851 1.00 30.40 C ATOM 1220 O ILE B 119 6.076 -4.411 2.369 1.00 44.20 O ATOM 1221 CB ILE B 119 6.268 -5.762 -0.545 1.00 3.23 C ATOM 1222 CG1 ILE B 119 6.812 -5.750 -1.976 1.00 1.52 C ATOM 1223 CG2 ILE B 119 4.934 -5.033 -0.474 1.00 72.10 C ATOM 1224 CD1 ILE B 119 5.861 -6.347 -2.990 1.00 63.30 C ATOM 0 H ILE B 119 8.635 -6.532 -0.329 1.00 42.50 H new ATOM 0 HA ILE B 119 7.378 -4.061 0.184 1.00 34.50 H new ATOM 0 HB ILE B 119 6.109 -6.798 -0.244 1.00 3.23 H new ATOM 0 HG12 ILE B 119 7.037 -4.722 -2.262 1.00 1.52 H new ATOM 0 HG13 ILE B 119 7.752 -6.301 -2.003 1.00 1.52 H new ATOM 0 HG21 ILE B 119 4.228 -5.499 -1.162 1.00 72.10 H new ATOM 0 HG22 ILE B 119 4.542 -5.089 0.542 1.00 72.10 H new ATOM 0 HG23 ILE B 119 5.075 -3.988 -0.751 1.00 72.10 H new ATOM 0 HD11 ILE B 119 6.313 -6.305 -3.981 1.00 63.30 H new ATOM 0 HD12 ILE B 119 5.655 -7.385 -2.729 1.00 63.30 H new ATOM 0 HD13 ILE B 119 4.929 -5.782 -2.992 1.00 63.30 H new ATOM 1236 N GLU B 120 7.141 -6.380 2.483 1.00 72.30 N ATOM 1237 CA GLU B 120 6.727 -6.652 3.855 1.00 11.10 C ATOM 1238 C GLU B 120 7.422 -5.705 4.829 1.00 33.00 C ATOM 1239 O GLU B 120 6.867 -5.350 5.865 1.00 74.00 O ATOM 1240 CB GLU B 120 7.032 -8.100 4.227 1.00 11.40 C ATOM 1241 CG GLU B 120 6.447 -8.528 5.564 1.00 74.00 C ATOM 1242 CD GLU B 120 7.130 -9.749 6.141 1.00 44.10 C ATOM 1243 OE1 GLU B 120 7.209 -10.779 5.434 1.00 42.30 O ATOM 1244 OE2 GLU B 120 7.589 -9.683 7.301 1.00 40.40 O ATOM 0 H GLU B 120 7.723 -7.108 2.068 1.00 72.30 H new ATOM 0 HA GLU B 120 5.651 -6.489 3.922 1.00 11.10 H new ATOM 0 HB2 GLU B 120 6.646 -8.755 3.446 1.00 11.40 H new ATOM 0 HB3 GLU B 120 8.113 -8.238 4.253 1.00 11.40 H new ATOM 0 HG2 GLU B 120 6.529 -7.703 6.272 1.00 74.00 H new ATOM 0 HG3 GLU B 120 5.384 -8.737 5.440 1.00 74.00 H new ATOM 1251 N ARG B 121 8.646 -5.311 4.490 1.00 52.30 N ATOM 1252 CA ARG B 121 9.421 -4.412 5.335 1.00 44.10 C ATOM 1253 C ARG B 121 8.865 -2.994 5.267 1.00 53.30 C ATOM 1254 O ARG B 121 8.794 -2.295 6.278 1.00 53.20 O ATOM 1255 CB ARG B 121 10.890 -4.415 4.911 1.00 35.10 C ATOM 1256 CG ARG B 121 11.637 -5.671 5.324 1.00 72.40 C ATOM 1257 CD ARG B 121 12.207 -5.543 6.727 1.00 53.20 C ATOM 1258 NE ARG B 121 13.030 -6.696 7.088 1.00 63.50 N ATOM 1259 CZ ARG B 121 12.537 -7.874 7.470 1.00 53.10 C ATOM 1260 NH1 ARG B 121 11.222 -8.052 7.541 1.00 34.50 N ATOM 1261 NH2 ARG B 121 13.354 -8.865 7.781 1.00 23.20 N ATOM 0 H ARG B 121 9.122 -5.601 3.635 1.00 52.30 H new ATOM 0 HA ARG B 121 9.348 -4.767 6.363 1.00 44.10 H new ATOM 0 HB2 ARG B 121 10.948 -4.307 3.828 1.00 35.10 H new ATOM 0 HB3 ARG B 121 11.387 -3.547 5.345 1.00 35.10 H new ATOM 0 HG2 ARG B 121 10.964 -6.527 5.280 1.00 72.40 H new ATOM 0 HG3 ARG B 121 12.445 -5.864 4.618 1.00 72.40 H new ATOM 0 HD2 ARG B 121 12.805 -4.634 6.794 1.00 53.20 H new ATOM 0 HD3 ARG B 121 11.391 -5.441 7.443 1.00 53.20 H new ATOM 0 HE ARG B 121 14.044 -6.593 7.045 1.00 63.50 H new ATOM 0 HH11 ARG B 121 10.590 -7.287 7.303 1.00 34.50 H new ATOM 0 HH12 ARG B 121 10.844 -8.953 7.833 1.00 34.50 H new ATOM 0 HH21 ARG B 121 14.364 -8.729 7.729 1.00 23.20 H new ATOM 0 HH22 ARG B 121 12.975 -9.766 8.073 1.00 23.20 H new ATOM 1275 N GLN B 122 8.472 -2.574 4.068 1.00 23.40 N ATOM 1276 CA GLN B 122 7.922 -1.239 3.869 1.00 11.20 C ATOM 1277 C GLN B 122 6.662 -1.038 4.706 1.00 62.00 C ATOM 1278 O GLN B 122 6.489 0.000 5.346 1.00 14.30 O ATOM 1279 CB GLN B 122 7.606 -1.010 2.389 1.00 2.43 C ATOM 1280 CG GLN B 122 8.767 -1.335 1.463 1.00 74.40 C ATOM 1281 CD GLN B 122 8.974 -0.279 0.394 1.00 61.40 C ATOM 1282 OE1 GLN B 122 8.034 -0.191 -0.540 1.00 4.41 O flip ATOM 1283 NE2 GLN B 122 9.966 0.448 0.409 1.00 74.50 N flip ATOM 0 H GLN B 122 8.525 -3.139 3.221 1.00 23.40 H new ATOM 0 HA GLN B 122 8.670 -0.514 4.191 1.00 11.20 H new ATOM 0 HB2 GLN B 122 6.747 -1.621 2.110 1.00 2.43 H new ATOM 0 HB3 GLN B 122 7.317 0.031 2.244 1.00 2.43 H new ATOM 0 HG2 GLN B 122 9.679 -1.435 2.051 1.00 74.40 H new ATOM 0 HG3 GLN B 122 8.588 -2.299 0.986 1.00 74.40 H new ATOM 0 HE21 GLN B 122 10.663 0.345 1.147 1.00 74.50 H new ATOM 0 HE22 GLN B 122 10.092 1.154 -0.316 1.00 74.50 H new ATOM 1292 N LEU B 123 5.786 -2.037 4.697 1.00 52.50 N ATOM 1293 CA LEU B 123 4.543 -1.969 5.456 1.00 75.10 C ATOM 1294 C LEU B 123 4.823 -1.811 6.946 1.00 41.00 C ATOM 1295 O LEU B 123 4.234 -0.959 7.612 1.00 52.40 O ATOM 1296 CB LEU B 123 3.705 -3.226 5.213 1.00 72.10 C ATOM 1297 CG LEU B 123 3.043 -3.309 3.836 1.00 54.50 C ATOM 1298 CD1 LEU B 123 2.935 -4.756 3.382 1.00 54.30 C ATOM 1299 CD2 LEU B 123 1.670 -2.653 3.866 1.00 30.30 C ATOM 0 H LEU B 123 5.914 -2.903 4.173 1.00 52.50 H new ATOM 0 HA LEU B 123 3.985 -1.096 5.116 1.00 75.10 H new ATOM 0 HB2 LEU B 123 4.343 -4.100 5.346 1.00 72.10 H new ATOM 0 HB3 LEU B 123 2.928 -3.279 5.976 1.00 72.10 H new ATOM 0 HG LEU B 123 3.666 -2.772 3.121 1.00 54.50 H new ATOM 0 HD11 LEU B 123 2.462 -4.795 2.401 1.00 54.30 H new ATOM 0 HD12 LEU B 123 3.931 -5.194 3.322 1.00 54.30 H new ATOM 0 HD13 LEU B 123 2.334 -5.318 4.097 1.00 54.30 H new ATOM 0 HD21 LEU B 123 1.213 -2.721 2.879 1.00 30.30 H new ATOM 0 HD22 LEU B 123 1.039 -3.163 4.594 1.00 30.30 H new ATOM 0 HD23 LEU B 123 1.774 -1.605 4.147 1.00 30.30 H new ATOM 1311 N LYS B 124 5.726 -2.636 7.464 1.00 10.20 N ATOM 1312 CA LYS B 124 6.084 -2.587 8.877 1.00 40.00 C ATOM 1313 C LYS B 124 6.728 -1.250 9.228 1.00 15.50 C ATOM 1314 O LYS B 124 6.589 -0.757 10.349 1.00 62.00 O ATOM 1315 CB LYS B 124 7.039 -3.732 9.222 1.00 54.30 C ATOM 1316 CG LYS B 124 6.945 -4.187 10.671 1.00 23.10 C ATOM 1317 CD LYS B 124 5.983 -5.354 10.825 1.00 71.20 C ATOM 1318 CE LYS B 124 5.575 -5.549 12.276 1.00 53.30 C ATOM 1319 NZ LYS B 124 6.485 -6.479 12.989 1.00 13.20 N ATOM 0 H LYS B 124 6.223 -3.346 6.927 1.00 10.20 H new ATOM 0 HA LYS B 124 5.171 -2.695 9.462 1.00 40.00 H new ATOM 0 HB2 LYS B 124 6.828 -4.579 8.569 1.00 54.30 H new ATOM 0 HB3 LYS B 124 8.061 -3.416 9.014 1.00 54.30 H new ATOM 0 HG2 LYS B 124 7.933 -4.479 11.027 1.00 23.10 H new ATOM 0 HG3 LYS B 124 6.614 -3.356 11.294 1.00 23.10 H new ATOM 0 HD2 LYS B 124 5.096 -5.179 10.216 1.00 71.20 H new ATOM 0 HD3 LYS B 124 6.451 -6.265 10.452 1.00 71.20 H new ATOM 0 HE2 LYS B 124 5.571 -4.585 12.784 1.00 53.30 H new ATOM 0 HE3 LYS B 124 4.557 -5.935 12.317 1.00 53.30 H new ATOM 0 HZ1 LYS B 124 6.171 -6.584 13.975 1.00 13.20 H new ATOM 0 HZ2 LYS B 124 6.470 -7.407 12.520 1.00 13.20 H new ATOM 0 HZ3 LYS B 124 7.453 -6.099 12.972 1.00 13.20 H new ATOM 1333 N ALA B 125 7.434 -0.667 8.265 1.00 23.10 N ATOM 1334 CA ALA B 125 8.099 0.614 8.473 1.00 1.45 C ATOM 1335 C ALA B 125 7.084 1.735 8.663 1.00 65.50 C ATOM 1336 O ALA B 125 7.097 2.433 9.677 1.00 74.10 O ATOM 1337 CB ALA B 125 9.020 0.925 7.303 1.00 44.20 C ATOM 0 H ALA B 125 7.560 -1.061 7.333 1.00 23.10 H new ATOM 0 HA ALA B 125 8.696 0.543 9.382 1.00 1.45 H new ATOM 0 HB1 ALA B 125 9.510 1.884 7.471 1.00 44.20 H new ATOM 0 HB2 ALA B 125 9.774 0.143 7.215 1.00 44.20 H new ATOM 0 HB3 ALA B 125 8.437 0.972 6.383 1.00 44.20 H new ATOM 1343 N LEU B 126 6.205 1.903 7.680 1.00 51.30 N ATOM 1344 CA LEU B 126 5.181 2.940 7.739 1.00 12.30 C ATOM 1345 C LEU B 126 4.188 2.661 8.864 1.00 33.30 C ATOM 1346 O LEU B 126 3.634 3.585 9.459 1.00 21.30 O ATOM 1347 CB LEU B 126 4.443 3.034 6.403 1.00 63.40 C ATOM 1348 CG LEU B 126 5.275 3.579 5.241 1.00 61.10 C ATOM 1349 CD1 LEU B 126 4.805 2.984 3.922 1.00 21.10 C ATOM 1350 CD2 LEU B 126 5.199 5.098 5.199 1.00 32.40 C ATOM 0 H LEU B 126 6.181 1.335 6.833 1.00 51.30 H new ATOM 0 HA LEU B 126 5.674 3.891 7.941 1.00 12.30 H new ATOM 0 HB2 LEU B 126 4.079 2.042 6.136 1.00 63.40 H new ATOM 0 HB3 LEU B 126 3.567 3.670 6.533 1.00 63.40 H new ATOM 0 HG LEU B 126 6.314 3.290 5.396 1.00 61.10 H new ATOM 0 HD11 LEU B 126 5.409 3.383 3.107 1.00 21.10 H new ATOM 0 HD12 LEU B 126 4.911 1.900 3.954 1.00 21.10 H new ATOM 0 HD13 LEU B 126 3.759 3.242 3.759 1.00 21.10 H new ATOM 0 HD21 LEU B 126 5.797 5.469 4.366 1.00 32.40 H new ATOM 0 HD22 LEU B 126 4.162 5.407 5.068 1.00 32.40 H new ATOM 0 HD23 LEU B 126 5.584 5.508 6.133 1.00 32.40 H new ATOM 1362 N GLY B 127 3.967 1.382 9.148 1.00 30.10 N ATOM 1363 CA GLY B 127 3.041 1.005 10.199 1.00 33.30 C ATOM 1364 C GLY B 127 3.633 -0.013 11.156 1.00 54.30 C ATOM 1365 O GLY B 127 3.553 -1.217 10.917 1.00 23.20 O ATOM 0 H GLY B 127 4.413 0.600 8.669 1.00 30.10 H new ATOM 0 HA2 GLY B 127 2.747 1.894 10.756 1.00 33.30 H new ATOM 0 HA3 GLY B 127 2.136 0.595 9.752 1.00 33.30 H new ATOM 1369 N VAL B 128 4.227 0.473 12.240 1.00 45.00 N ATOM 1370 CA VAL B 128 4.834 -0.401 13.235 1.00 3.12 C ATOM 1371 C VAL B 128 3.993 -0.452 14.508 1.00 61.10 C ATOM 1372 O VAL B 128 3.267 0.492 14.823 1.00 25.40 O ATOM 1373 CB VAL B 128 6.262 0.058 13.590 1.00 32.50 C ATOM 1374 CG1 VAL B 128 6.246 1.456 14.188 1.00 1.14 C ATOM 1375 CG2 VAL B 128 6.923 -0.930 14.541 1.00 23.30 C ATOM 0 H VAL B 128 4.301 1.468 12.452 1.00 45.00 H new ATOM 0 HA VAL B 128 4.881 -1.397 12.796 1.00 3.12 H new ATOM 0 HB VAL B 128 6.848 0.090 12.672 1.00 32.50 H new ATOM 0 HG11 VAL B 128 7.264 1.759 14.431 1.00 1.14 H new ATOM 0 HG12 VAL B 128 5.821 2.155 13.468 1.00 1.14 H new ATOM 0 HG13 VAL B 128 5.641 1.457 15.095 1.00 1.14 H new ATOM 0 HG21 VAL B 128 7.930 -0.588 14.779 1.00 23.30 H new ATOM 0 HG22 VAL B 128 6.337 -1.000 15.458 1.00 23.30 H new ATOM 0 HG23 VAL B 128 6.976 -1.911 14.068 1.00 23.30 H new ATOM 1385 N ASP B 129 4.095 -1.559 15.236 1.00 41.30 N ATOM 1386 CA ASP B 129 3.344 -1.733 16.474 1.00 65.10 C ATOM 1387 C ASP B 129 4.154 -2.523 17.495 1.00 11.20 C ATOM 1388 O ASP B 129 4.305 -2.037 18.636 1.00 32.30 O ATOM 1389 CB ASP B 129 2.019 -2.443 16.196 1.00 34.00 C ATOM 1390 CG ASP B 129 0.929 -1.485 15.758 1.00 21.10 C ATOM 1391 OD1 ASP B 129 0.491 -0.665 16.591 1.00 51.40 O ATOM 1392 OD2 ASP B 129 0.513 -1.554 14.582 1.00 63.50 O ATOM 1393 OXT ASP B 129 4.633 -3.624 17.147 1.00 37.70 O ATOM 0 H ASP B 129 4.691 -2.350 14.990 1.00 41.30 H new ATOM 0 HA ASP B 129 3.138 -0.745 16.887 1.00 65.10 H new ATOM 0 HB2 ASP B 129 2.169 -3.196 15.422 1.00 34.00 H new ATOM 0 HB3 ASP B 129 1.697 -2.969 17.095 1.00 34.00 H new TER 1398 ASP B 129