USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 689 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 9 ASN :FLIP amide:sc= 0.23 X(o=0.094,f=0.41) USER MOD Set 1.2: A 71 ASN :FLIP amide:sc= 0.18 F(o=-0.59,f=0.41) USER MOD Set 2.1: A 27 THR OG1 : rot -83:sc= 0.763 USER MOD Set 2.2: A 50 SER OG : rot 180:sc= 0.172 USER MOD Set 3.1: A 12 SER OG : rot -123:sc= 0.118 USER MOD Set 3.2: A 14 THR OG1 : rot 97:sc= 0.225 USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 1 HIS : no HD1:sc= -0.897 X(o=-0.9,f=-0.7) USER MOD Single : A 2 HIS : no HD1:sc=-0.00234 X(o=-0.0023,f=-0.0069) USER MOD Single : A 3 HIS : no HE2:sc= 0.24 K(o=0.24,f=-1.7) USER MOD Single : A 4 HIS : no HD1:sc= -0.0235 X(o=-0.023,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.458 X(o=-0.46,f=-0.29) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -2 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0168) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -23:sc= 0.0917 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00628 USER MOD Single : A 32 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.5) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 36 THR OG1 : rot 137:sc= 0.411 USER MOD Single : A 41 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.6!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 51 THR OG1 : rot 180:sc=6.29e-05 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.528 USER MOD Single : A 56 TYR OH : rot 37:sc= -5.69! USER MOD Single : A 59 TYR OH : rot 180:sc= -1.75! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -163:sc=-0.00435 (180deg=-0.134) USER MOD Single : A 78 THR OG1 : rot 37:sc= 0.46 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 41:sc= 0.729 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -2 -13.832 -25.114 -7.442 1.00 54.25 N ATOM 2 CA MET A -2 -12.735 -24.412 -8.097 1.00 24.12 C ATOM 3 C MET A -2 -11.639 -24.062 -7.095 1.00 52.04 C ATOM 4 O MET A -2 -10.475 -24.413 -7.286 1.00 72.11 O ATOM 5 CB MET A -2 -13.247 -23.140 -8.775 1.00 25.32 C ATOM 6 CG MET A -2 -12.263 -22.543 -9.768 1.00 3.42 C ATOM 7 SD MET A -2 -12.309 -23.366 -11.372 1.00 45.21 S ATOM 8 CE MET A -2 -13.023 -22.081 -12.393 1.00 34.12 C ATOM 0 H1 MET A -2 -14.566 -25.342 -8.143 1.00 54.25 H new ATOM 0 H2 MET A -2 -13.476 -25.993 -7.015 1.00 54.25 H new ATOM 0 H3 MET A -2 -14.238 -24.509 -6.700 1.00 54.25 H new ATOM 0 HA MET A -2 -12.314 -25.074 -8.854 1.00 24.12 H new ATOM 0 HB2 MET A -2 -14.181 -23.364 -9.291 1.00 25.32 H new ATOM 0 HB3 MET A -2 -13.475 -22.397 -8.011 1.00 25.32 H new ATOM 0 HG2 MET A -2 -12.484 -21.484 -9.901 1.00 3.42 H new ATOM 0 HG3 MET A -2 -11.255 -22.609 -9.359 1.00 3.42 H new ATOM 0 HE1 MET A -2 -13.116 -22.440 -13.418 1.00 34.12 H new ATOM 0 HE2 MET A -2 -14.009 -21.818 -12.010 1.00 34.12 H new ATOM 0 HE3 MET A -2 -12.380 -21.201 -12.373 1.00 34.12 H new ATOM 18 N GLY A -1 -12.019 -23.368 -6.027 1.00 1.43 N ATOM 19 CA GLY A -1 -11.056 -22.982 -5.012 1.00 13.04 C ATOM 20 C GLY A -1 -11.152 -21.513 -4.650 1.00 33.14 C ATOM 21 O GLY A -1 -11.684 -20.710 -5.418 1.00 21.25 O ATOM 0 H GLY A -1 -12.976 -23.066 -5.846 1.00 1.43 H new ATOM 0 HA2 GLY A -1 -11.214 -23.584 -4.118 1.00 13.04 H new ATOM 0 HA3 GLY A -1 -10.049 -23.200 -5.369 1.00 13.04 H new ATOM 25 N HIS A 0 -10.638 -21.159 -3.476 1.00 34.31 N ATOM 26 CA HIS A 0 -10.670 -19.777 -3.013 1.00 13.52 C ATOM 27 C HIS A 0 -9.766 -19.590 -1.798 1.00 25.41 C ATOM 28 O HIS A 0 -9.451 -20.549 -1.093 1.00 53.23 O ATOM 29 CB HIS A 0 -12.102 -19.365 -2.667 1.00 25.24 C ATOM 30 CG HIS A 0 -12.345 -17.892 -2.778 1.00 1.03 C ATOM 31 ND1 HIS A 0 -12.213 -17.195 -3.960 1.00 45.34 N ATOM 32 CD2 HIS A 0 -12.716 -16.983 -1.847 1.00 43.03 C ATOM 33 CE1 HIS A 0 -12.490 -15.920 -3.751 1.00 10.13 C ATOM 34 NE2 HIS A 0 -12.800 -15.765 -2.477 1.00 75.12 N ATOM 0 H HIS A 0 -10.195 -21.810 -2.828 1.00 34.31 H new ATOM 0 HA HIS A 0 -10.302 -19.141 -3.819 1.00 13.52 H new ATOM 0 HB2 HIS A 0 -12.792 -19.889 -3.328 1.00 25.24 H new ATOM 0 HB3 HIS A 0 -12.328 -19.687 -1.650 1.00 25.24 H new ATOM 0 HD2 HIS A 0 -12.910 -17.179 -0.803 1.00 43.03 H new ATOM 0 HE1 HIS A 0 -12.467 -15.138 -4.495 1.00 10.13 H new ATOM 0 HE2 HIS A 0 -13.060 -14.884 -2.033 1.00 75.12 H new ATOM 42 N HIS A 1 -9.351 -18.349 -1.561 1.00 21.22 N ATOM 43 CA HIS A 1 -8.484 -18.037 -0.431 1.00 52.03 C ATOM 44 C HIS A 1 -8.679 -16.594 0.022 1.00 62.11 C ATOM 45 O HIS A 1 -9.436 -15.838 -0.588 1.00 54.41 O ATOM 46 CB HIS A 1 -7.019 -18.272 -0.805 1.00 31.50 C ATOM 47 CG HIS A 1 -6.673 -19.718 -0.986 1.00 2.14 C ATOM 48 ND1 HIS A 1 -6.250 -20.244 -2.189 1.00 14.01 N ATOM 49 CD2 HIS A 1 -6.687 -20.749 -0.110 1.00 4.13 C ATOM 50 CE1 HIS A 1 -6.020 -21.537 -2.044 1.00 32.44 C ATOM 51 NE2 HIS A 1 -6.278 -21.868 -0.791 1.00 32.12 N ATOM 0 H HIS A 1 -9.601 -17.544 -2.136 1.00 21.22 H new ATOM 0 HA HIS A 1 -8.752 -18.698 0.394 1.00 52.03 H new ATOM 0 HB2 HIS A 1 -6.797 -17.735 -1.727 1.00 31.50 H new ATOM 0 HB3 HIS A 1 -6.382 -17.849 -0.029 1.00 31.50 H new ATOM 0 HD2 HIS A 1 -6.968 -20.700 0.932 1.00 4.13 H new ATOM 0 HE1 HIS A 1 -5.679 -22.209 -2.818 1.00 32.44 H new ATOM 0 HE2 HIS A 1 -6.188 -22.803 -0.394 1.00 32.12 H new ATOM 59 N HIS A 2 -7.994 -16.216 1.096 1.00 33.54 N ATOM 60 CA HIS A 2 -8.092 -14.863 1.631 1.00 24.03 C ATOM 61 C HIS A 2 -6.719 -14.339 2.041 1.00 63.52 C ATOM 62 O HIS A 2 -5.791 -15.115 2.274 1.00 4.20 O ATOM 63 CB HIS A 2 -9.040 -14.835 2.831 1.00 32.11 C ATOM 64 CG HIS A 2 -8.654 -15.783 3.923 1.00 2.22 C ATOM 65 ND1 HIS A 2 -7.943 -15.396 5.040 1.00 55.23 N ATOM 66 CD2 HIS A 2 -8.883 -17.110 4.066 1.00 45.43 C ATOM 67 CE1 HIS A 2 -7.751 -16.444 5.822 1.00 2.54 C ATOM 68 NE2 HIS A 2 -8.313 -17.496 5.254 1.00 72.04 N ATOM 0 H HIS A 2 -7.364 -16.829 1.614 1.00 33.54 H new ATOM 0 HA HIS A 2 -8.488 -14.217 0.848 1.00 24.03 H new ATOM 0 HB2 HIS A 2 -9.072 -13.823 3.235 1.00 32.11 H new ATOM 0 HB3 HIS A 2 -10.048 -15.075 2.493 1.00 32.11 H new ATOM 0 HD2 HIS A 2 -9.415 -17.746 3.374 1.00 45.43 H new ATOM 0 HE1 HIS A 2 -7.224 -16.441 6.765 1.00 2.54 H new ATOM 0 HE2 HIS A 2 -8.322 -18.442 5.636 1.00 72.04 H new ATOM 76 N HIS A 3 -6.596 -13.018 2.124 1.00 13.21 N ATOM 77 CA HIS A 3 -5.336 -12.390 2.505 1.00 42.42 C ATOM 78 C HIS A 3 -5.550 -11.381 3.629 1.00 63.20 C ATOM 79 O HIS A 3 -5.133 -10.226 3.529 1.00 2.02 O ATOM 80 CB HIS A 3 -4.701 -11.699 1.298 1.00 1.22 C ATOM 81 CG HIS A 3 -5.663 -10.859 0.514 1.00 65.11 C ATOM 82 ND1 HIS A 3 -6.197 -9.683 0.993 1.00 71.31 N ATOM 83 CD2 HIS A 3 -6.184 -11.032 -0.724 1.00 41.43 C ATOM 84 CE1 HIS A 3 -7.007 -9.168 0.085 1.00 65.21 C ATOM 85 NE2 HIS A 3 -7.016 -9.967 -0.966 1.00 12.34 N ATOM 0 H HIS A 3 -7.353 -12.362 1.933 1.00 13.21 H new ATOM 0 HA HIS A 3 -4.664 -13.170 2.863 1.00 42.42 H new ATOM 0 HB2 HIS A 3 -3.878 -11.071 1.640 1.00 1.22 H new ATOM 0 HB3 HIS A 3 -4.272 -12.455 0.641 1.00 1.22 H new ATOM 0 HD1 HIS A 3 -5.998 -9.274 1.906 1.00 71.31 H new ATOM 0 HD2 HIS A 3 -5.983 -11.854 -1.395 1.00 41.43 H new ATOM 0 HE1 HIS A 3 -7.567 -8.250 0.185 1.00 65.21 H new ATOM 93 N HIS A 4 -6.203 -11.823 4.700 1.00 40.35 N ATOM 94 CA HIS A 4 -6.472 -10.959 5.843 1.00 22.10 C ATOM 95 C HIS A 4 -5.545 -11.294 7.007 1.00 74.02 C ATOM 96 O HIS A 4 -5.038 -12.412 7.109 1.00 44.32 O ATOM 97 CB HIS A 4 -7.930 -11.096 6.280 1.00 1.30 C ATOM 98 CG HIS A 4 -8.896 -10.406 5.368 1.00 5.31 C ATOM 99 ND1 HIS A 4 -9.347 -9.120 5.581 1.00 64.23 N ATOM 100 CD2 HIS A 4 -9.497 -10.829 4.230 1.00 51.54 C ATOM 101 CE1 HIS A 4 -10.185 -8.783 4.616 1.00 54.22 C ATOM 102 NE2 HIS A 4 -10.293 -9.802 3.784 1.00 4.14 N ATOM 0 H HIS A 4 -6.555 -12.775 4.799 1.00 40.35 H new ATOM 0 HA HIS A 4 -6.287 -9.928 5.540 1.00 22.10 H new ATOM 0 HB2 HIS A 4 -8.187 -12.154 6.334 1.00 1.30 H new ATOM 0 HB3 HIS A 4 -8.039 -10.690 7.286 1.00 1.30 H new ATOM 0 HD2 HIS A 4 -9.373 -11.794 3.761 1.00 51.54 H new ATOM 0 HE1 HIS A 4 -10.695 -7.835 4.524 1.00 54.22 H new ATOM 0 HE2 HIS A 4 -10.874 -9.823 2.946 1.00 4.14 H new ATOM 110 N HIS A 5 -5.328 -10.319 7.885 1.00 60.24 N ATOM 111 CA HIS A 5 -4.463 -10.512 9.043 1.00 11.12 C ATOM 112 C HIS A 5 -5.217 -10.230 10.338 1.00 33.24 C ATOM 113 O HIS A 5 -5.623 -9.096 10.599 1.00 12.22 O ATOM 114 CB HIS A 5 -3.236 -9.604 8.945 1.00 22.12 C ATOM 115 CG HIS A 5 -3.573 -8.166 8.700 1.00 33.15 C ATOM 116 ND1 HIS A 5 -3.794 -7.649 7.441 1.00 43.31 N ATOM 117 CD2 HIS A 5 -3.728 -7.133 9.562 1.00 2.04 C ATOM 118 CE1 HIS A 5 -4.069 -6.360 7.538 1.00 73.02 C ATOM 119 NE2 HIS A 5 -4.036 -6.023 8.815 1.00 44.41 N ATOM 0 H HIS A 5 -5.739 -9.388 7.816 1.00 60.24 H new ATOM 0 HA HIS A 5 -4.137 -11.552 9.053 1.00 11.12 H new ATOM 0 HB2 HIS A 5 -2.662 -9.682 9.868 1.00 22.12 H new ATOM 0 HB3 HIS A 5 -2.594 -9.960 8.140 1.00 22.12 H new ATOM 0 HD2 HIS A 5 -3.628 -7.175 10.637 1.00 2.04 H new ATOM 0 HE1 HIS A 5 -4.284 -5.696 6.714 1.00 73.02 H new ATOM 0 HE2 HIS A 5 -4.211 -5.089 9.186 1.00 44.41 H new ATOM 127 N THR A 6 -5.403 -11.268 11.148 1.00 44.42 N ATOM 128 CA THR A 6 -6.111 -11.132 12.414 1.00 11.22 C ATOM 129 C THR A 6 -5.184 -11.407 13.594 1.00 23.31 C ATOM 130 O THR A 6 -4.049 -11.850 13.415 1.00 44.55 O ATOM 131 CB THR A 6 -7.316 -12.087 12.489 1.00 11.30 C ATOM 132 OG1 THR A 6 -7.726 -12.465 11.170 1.00 25.35 O ATOM 133 CG2 THR A 6 -8.480 -11.434 13.220 1.00 51.53 C ATOM 0 H THR A 6 -5.073 -12.212 10.949 1.00 44.42 H new ATOM 0 HA THR A 6 -6.469 -10.104 12.468 1.00 11.22 H new ATOM 0 HB THR A 6 -7.012 -12.976 13.043 1.00 11.30 H new ATOM 0 HG1 THR A 6 -8.492 -13.074 11.227 1.00 25.35 H new ATOM 0 HG21 THR A 6 -9.320 -12.128 13.260 1.00 51.53 H new ATOM 0 HG22 THR A 6 -8.174 -11.175 14.234 1.00 51.53 H new ATOM 0 HG23 THR A 6 -8.781 -10.530 12.690 1.00 51.53 H new ATOM 141 N LYS A 7 -5.675 -11.142 14.800 1.00 74.22 N ATOM 142 CA LYS A 7 -4.892 -11.363 16.010 1.00 52.34 C ATOM 143 C LYS A 7 -5.534 -12.435 16.884 1.00 44.13 C ATOM 144 O LYS A 7 -6.490 -13.094 16.476 1.00 11.03 O ATOM 145 CB LYS A 7 -4.758 -10.059 16.799 1.00 74.23 C ATOM 146 CG LYS A 7 -4.153 -8.921 15.995 1.00 71.23 C ATOM 147 CD LYS A 7 -4.788 -7.587 16.352 1.00 12.54 C ATOM 148 CE LYS A 7 -4.618 -6.572 15.233 1.00 45.02 C ATOM 149 NZ LYS A 7 -3.218 -6.072 15.146 1.00 71.41 N1+ ATOM 0 H LYS A 7 -6.612 -10.774 14.965 1.00 74.22 H new ATOM 0 HA LYS A 7 -3.900 -11.706 15.715 1.00 52.34 H new ATOM 0 HB2 LYS A 7 -5.743 -9.757 17.156 1.00 74.23 H new ATOM 0 HB3 LYS A 7 -4.141 -10.239 17.680 1.00 74.23 H new ATOM 0 HG2 LYS A 7 -3.080 -8.875 16.179 1.00 71.23 H new ATOM 0 HG3 LYS A 7 -4.286 -9.115 14.931 1.00 71.23 H new ATOM 0 HD2 LYS A 7 -5.849 -7.731 16.556 1.00 12.54 H new ATOM 0 HD3 LYS A 7 -4.337 -7.201 17.266 1.00 12.54 H new ATOM 0 HE2 LYS A 7 -4.901 -7.027 14.284 1.00 45.02 H new ATOM 0 HE3 LYS A 7 -5.294 -5.733 15.398 1.00 45.02 H new ATOM 0 HZ1 LYS A 7 -3.143 -5.382 14.371 1.00 71.41 H new ATOM 0 HZ2 LYS A 7 -2.956 -5.615 16.043 1.00 71.41 H new ATOM 0 HZ3 LYS A 7 -2.575 -6.869 14.963 1.00 71.41 H new ATOM 163 N GLY A 8 -5.002 -12.605 18.091 1.00 4.54 N ATOM 164 CA GLY A 8 -5.537 -13.597 19.005 1.00 1.12 C ATOM 165 C GLY A 8 -7.034 -13.462 19.197 1.00 12.44 C ATOM 166 O GLY A 8 -7.529 -12.388 19.539 1.00 42.34 O ATOM 0 H GLY A 8 -4.210 -12.073 18.452 1.00 4.54 H new ATOM 0 HA2 GLY A 8 -5.311 -14.594 18.627 1.00 1.12 H new ATOM 0 HA3 GLY A 8 -5.040 -13.502 19.971 1.00 1.12 H new ATOM 170 N ASN A 9 -7.759 -14.554 18.975 1.00 51.20 N ATOM 171 CA ASN A 9 -9.210 -14.552 19.122 1.00 63.11 C ATOM 172 C ASN A 9 -9.671 -15.725 19.982 1.00 4.24 C ATOM 173 O ASN A 9 -9.276 -16.869 19.753 1.00 20.25 O ATOM 174 CB ASN A 9 -9.884 -14.614 17.750 1.00 62.31 C ATOM 175 CG ASN A 9 -11.361 -14.945 17.846 1.00 62.52 C ATOM 176 OD1 ASN A 9 -12.051 -14.304 18.781 1.00 73.41 O flip ATOM 177 ND2 ASN A 9 -11.874 -15.768 17.087 1.00 54.03 N flip ATOM 0 H ASN A 9 -7.365 -15.452 18.693 1.00 51.20 H new ATOM 0 HA ASN A 9 -9.498 -13.625 19.618 1.00 63.11 H new ATOM 0 HB2 ASN A 9 -9.761 -13.656 17.244 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -9.385 -15.365 17.137 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -11.304 -16.237 16.383 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -12.869 -15.981 17.163 1.00 54.03 H new ATOM 184 N VAL A 10 -10.510 -15.434 20.970 1.00 11.42 N ATOM 185 CA VAL A 10 -11.026 -16.464 21.863 1.00 24.54 C ATOM 186 C VAL A 10 -12.551 -16.481 21.860 1.00 65.31 C ATOM 187 O VAL A 10 -13.195 -15.441 22.000 1.00 73.33 O ATOM 188 CB VAL A 10 -10.530 -16.257 23.306 1.00 72.34 C ATOM 189 CG1 VAL A 10 -10.976 -17.408 24.195 1.00 4.15 C ATOM 190 CG2 VAL A 10 -9.016 -16.108 23.332 1.00 42.41 C ATOM 0 H VAL A 10 -10.847 -14.493 21.172 1.00 11.42 H new ATOM 0 HA VAL A 10 -10.653 -17.419 21.492 1.00 24.54 H new ATOM 0 HB VAL A 10 -10.970 -15.338 23.695 1.00 72.34 H new ATOM 0 HG11 VAL A 10 -10.616 -17.244 25.211 1.00 4.15 H new ATOM 0 HG12 VAL A 10 -12.065 -17.463 24.200 1.00 4.15 H new ATOM 0 HG13 VAL A 10 -10.567 -18.343 23.812 1.00 4.15 H new ATOM 0 HG21 VAL A 10 -8.682 -15.962 24.359 1.00 42.41 H new ATOM 0 HG22 VAL A 10 -8.555 -17.008 22.925 1.00 42.41 H new ATOM 0 HG23 VAL A 10 -8.725 -15.247 22.731 1.00 42.41 H new ATOM 200 N THR A 11 -13.124 -17.669 21.698 1.00 10.10 N ATOM 201 CA THR A 11 -14.573 -17.823 21.675 1.00 34.03 C ATOM 202 C THR A 11 -15.029 -18.884 22.669 1.00 20.04 C ATOM 203 O THR A 11 -14.211 -19.514 23.339 1.00 73.43 O ATOM 204 CB THR A 11 -15.076 -18.201 20.269 1.00 22.23 C ATOM 205 OG1 THR A 11 -14.191 -19.157 19.674 1.00 45.23 O ATOM 206 CG2 THR A 11 -15.174 -16.971 19.380 1.00 3.03 C ATOM 0 H THR A 11 -12.606 -18.540 21.581 1.00 10.10 H new ATOM 0 HA THR A 11 -14.998 -16.860 21.957 1.00 34.03 H new ATOM 0 HB THR A 11 -16.070 -18.638 20.368 1.00 22.23 H new ATOM 0 HG1 THR A 11 -14.518 -19.394 18.781 1.00 45.23 H new ATOM 0 HG21 THR A 11 -15.531 -17.263 18.393 1.00 3.03 H new ATOM 0 HG22 THR A 11 -15.870 -16.258 19.821 1.00 3.03 H new ATOM 0 HG23 THR A 11 -14.191 -16.509 19.288 1.00 3.03 H new ATOM 214 N SER A 12 -16.341 -19.080 22.758 1.00 72.20 N ATOM 215 CA SER A 12 -16.908 -20.064 23.673 1.00 63.13 C ATOM 216 C SER A 12 -17.164 -21.386 22.957 1.00 64.31 C ATOM 217 O SER A 12 -17.448 -21.413 21.759 1.00 41.10 O ATOM 218 CB SER A 12 -18.210 -19.538 24.280 1.00 31.13 C ATOM 219 OG SER A 12 -18.499 -20.187 25.507 1.00 24.24 O ATOM 0 H SER A 12 -17.032 -18.570 22.207 1.00 72.20 H new ATOM 0 HA SER A 12 -16.188 -20.237 24.473 1.00 63.13 H new ATOM 0 HB2 SER A 12 -18.131 -18.463 24.443 1.00 31.13 H new ATOM 0 HB3 SER A 12 -19.031 -19.694 23.580 1.00 31.13 H new ATOM 0 HG SER A 12 -19.382 -20.608 25.454 1.00 24.24 H new ATOM 225 N LYS A 13 -17.062 -22.483 23.700 1.00 44.22 N ATOM 226 CA LYS A 13 -17.284 -23.811 23.139 1.00 60.22 C ATOM 227 C LYS A 13 -18.750 -24.214 23.258 1.00 54.30 C ATOM 228 O LYS A 13 -19.105 -25.375 23.048 1.00 2.34 O ATOM 229 CB LYS A 13 -16.403 -24.841 23.849 1.00 51.22 C ATOM 230 CG LYS A 13 -16.179 -26.109 23.043 1.00 2.31 C ATOM 231 CD LYS A 13 -15.644 -27.235 23.912 1.00 13.33 C ATOM 232 CE LYS A 13 -15.005 -28.331 23.073 1.00 53.45 C ATOM 233 NZ LYS A 13 -15.986 -28.971 22.155 1.00 51.21 N1+ ATOM 0 H LYS A 13 -16.827 -22.479 24.693 1.00 44.22 H new ATOM 0 HA LYS A 13 -17.018 -23.780 22.082 1.00 60.22 H new ATOM 0 HB2 LYS A 13 -15.437 -24.388 24.073 1.00 51.22 H new ATOM 0 HB3 LYS A 13 -16.861 -25.103 24.803 1.00 51.22 H new ATOM 0 HG2 LYS A 13 -17.117 -26.418 22.582 1.00 2.31 H new ATOM 0 HG3 LYS A 13 -15.477 -25.908 22.234 1.00 2.31 H new ATOM 0 HD2 LYS A 13 -14.910 -26.838 24.613 1.00 13.33 H new ATOM 0 HD3 LYS A 13 -16.456 -27.656 24.505 1.00 13.33 H new ATOM 0 HE2 LYS A 13 -14.184 -27.911 22.492 1.00 53.45 H new ATOM 0 HE3 LYS A 13 -14.576 -29.087 23.730 1.00 53.45 H new ATOM 0 HZ1 LYS A 13 -15.538 -29.778 21.676 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -16.806 -29.305 22.701 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -16.301 -28.278 21.446 1.00 51.21 H new ATOM 247 N THR A 14 -19.600 -23.248 23.592 1.00 41.41 N ATOM 248 CA THR A 14 -21.027 -23.501 23.738 1.00 75.14 C ATOM 249 C THR A 14 -21.774 -23.207 22.442 1.00 53.42 C ATOM 250 O THR A 14 -22.416 -24.089 21.871 1.00 1.11 O ATOM 251 CB THR A 14 -21.635 -22.653 24.871 1.00 22.31 C ATOM 252 OG1 THR A 14 -21.339 -21.268 24.660 1.00 34.11 O ATOM 253 CG2 THR A 14 -21.097 -23.091 26.224 1.00 0.42 C ATOM 0 H THR A 14 -19.324 -22.282 23.767 1.00 41.41 H new ATOM 0 HA THR A 14 -21.136 -24.557 23.985 1.00 75.14 H new ATOM 0 HB THR A 14 -22.715 -22.798 24.863 1.00 22.31 H new ATOM 0 HG1 THR A 14 -22.101 -20.834 24.222 1.00 34.11 H new ATOM 0 HG21 THR A 14 -21.541 -22.478 27.008 1.00 0.42 H new ATOM 0 HG22 THR A 14 -21.350 -24.137 26.395 1.00 0.42 H new ATOM 0 HG23 THR A 14 -20.014 -22.973 26.240 1.00 0.42 H new ATOM 261 N ASP A 15 -21.684 -21.965 21.982 1.00 13.30 N ATOM 262 CA ASP A 15 -22.349 -21.555 20.751 1.00 3.24 C ATOM 263 C ASP A 15 -21.333 -21.085 19.715 1.00 54.23 C ATOM 264 O ASP A 15 -21.576 -21.167 18.511 1.00 30.21 O ATOM 265 CB ASP A 15 -23.356 -20.440 21.037 1.00 34.54 C ATOM 266 CG ASP A 15 -24.101 -20.653 22.341 1.00 5.42 C ATOM 267 OD1 ASP A 15 -23.822 -19.916 23.311 1.00 25.13 O ATOM 268 OD2 ASP A 15 -24.962 -21.555 22.391 1.00 72.52 O1- ATOM 0 H ASP A 15 -21.157 -21.224 22.443 1.00 13.30 H new ATOM 0 HA ASP A 15 -22.879 -22.419 20.349 1.00 3.24 H new ATOM 0 HB2 ASP A 15 -22.834 -19.484 21.072 1.00 34.54 H new ATOM 0 HB3 ASP A 15 -24.073 -20.383 20.218 1.00 34.54 H new ATOM 273 N GLY A 16 -20.194 -20.592 20.191 1.00 45.50 N ATOM 274 CA GLY A 16 -19.159 -20.115 19.293 1.00 13.14 C ATOM 275 C GLY A 16 -19.094 -18.602 19.234 1.00 50.04 C ATOM 276 O GLY A 16 -18.712 -18.030 18.212 1.00 53.34 O ATOM 0 H GLY A 16 -19.970 -20.514 21.183 1.00 45.50 H new ATOM 0 HA2 GLY A 16 -18.194 -20.505 19.617 1.00 13.14 H new ATOM 0 HA3 GLY A 16 -19.342 -20.507 18.292 1.00 13.14 H new ATOM 280 N GLN A 17 -19.470 -17.952 20.330 1.00 15.14 N ATOM 281 CA GLN A 17 -19.454 -16.495 20.398 1.00 71.43 C ATOM 282 C GLN A 17 -18.141 -15.992 20.987 1.00 32.32 C ATOM 283 O GLN A 17 -17.410 -16.724 21.654 1.00 12.20 O ATOM 284 CB GLN A 17 -20.630 -15.990 21.235 1.00 54.31 C ATOM 285 CG GLN A 17 -21.893 -15.744 20.426 1.00 63.40 C ATOM 286 CD GLN A 17 -22.991 -15.088 21.239 1.00 73.24 C ATOM 287 OE1 GLN A 17 -22.746 -14.574 22.331 1.00 3.00 O ATOM 288 NE2 GLN A 17 -24.208 -15.101 20.711 1.00 74.15 N ATOM 0 H GLN A 17 -19.789 -18.411 21.183 1.00 15.14 H new ATOM 0 HA GLN A 17 -19.547 -16.108 19.383 1.00 71.43 H new ATOM 0 HB2 GLN A 17 -20.846 -16.717 22.018 1.00 54.31 H new ATOM 0 HB3 GLN A 17 -20.340 -15.064 21.731 1.00 54.31 H new ATOM 0 HG2 GLN A 17 -21.654 -15.113 19.570 1.00 63.40 H new ATOM 0 HG3 GLN A 17 -22.257 -16.692 20.031 1.00 63.40 H new ATOM 0 HE21 GLN A 17 -24.365 -15.538 19.803 1.00 74.15 H new ATOM 0 HE22 GLN A 17 -24.986 -14.674 21.213 1.00 74.15 H new ATOM 297 N PRO A 18 -17.833 -14.710 20.736 1.00 51.11 N ATOM 298 CA PRO A 18 -16.606 -14.080 21.234 1.00 61.23 C ATOM 299 C PRO A 18 -16.628 -13.881 22.745 1.00 5.35 C ATOM 300 O PRO A 18 -17.647 -13.486 23.315 1.00 41.13 O ATOM 301 CB PRO A 18 -16.586 -12.727 20.517 1.00 11.54 C ATOM 302 CG PRO A 18 -18.015 -12.444 20.207 1.00 0.34 C ATOM 303 CD PRO A 18 -18.657 -13.779 19.950 1.00 14.12 C ATOM 0 HA PRO A 18 -15.726 -14.694 21.041 1.00 61.23 H new ATOM 0 HB2 PRO A 18 -16.156 -11.950 21.149 1.00 11.54 H new ATOM 0 HB3 PRO A 18 -15.984 -12.768 19.609 1.00 11.54 H new ATOM 0 HG2 PRO A 18 -18.500 -11.932 21.038 1.00 0.34 H new ATOM 0 HG3 PRO A 18 -18.104 -11.794 19.336 1.00 0.34 H new ATOM 0 HD2 PRO A 18 -19.698 -13.793 20.273 1.00 14.12 H new ATOM 0 HD3 PRO A 18 -18.648 -14.032 18.890 1.00 14.12 H new ATOM 311 N ILE A 19 -15.499 -14.156 23.391 1.00 51.31 N ATOM 312 CA ILE A 19 -15.391 -14.006 24.836 1.00 72.32 C ATOM 313 C ILE A 19 -15.028 -12.573 25.214 1.00 61.13 C ATOM 314 O ILE A 19 -13.982 -12.062 24.815 1.00 31.30 O ATOM 315 CB ILE A 19 -14.336 -14.963 25.424 1.00 71.32 C ATOM 316 CG1 ILE A 19 -14.665 -16.410 25.052 1.00 63.22 C ATOM 317 CG2 ILE A 19 -14.259 -14.802 26.935 1.00 24.05 C ATOM 318 CD1 ILE A 19 -16.004 -16.880 25.578 1.00 75.31 C ATOM 0 H ILE A 19 -14.647 -14.484 22.936 1.00 51.31 H new ATOM 0 HA ILE A 19 -16.367 -14.254 25.253 1.00 72.32 H new ATOM 0 HB ILE A 19 -13.363 -14.712 25.002 1.00 71.32 H new ATOM 0 HG12 ILE A 19 -14.655 -16.509 23.967 1.00 63.22 H new ATOM 0 HG13 ILE A 19 -13.882 -17.063 25.439 1.00 63.22 H new ATOM 0 HG21 ILE A 19 -13.510 -15.484 27.336 1.00 24.05 H new ATOM 0 HG22 ILE A 19 -13.982 -13.776 27.178 1.00 24.05 H new ATOM 0 HG23 ILE A 19 -15.230 -15.030 27.375 1.00 24.05 H new ATOM 0 HD11 ILE A 19 -16.171 -17.914 25.276 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -16.011 -16.814 26.666 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -16.796 -16.251 25.171 1.00 75.31 H new ATOM 330 N ILE A 20 -15.898 -11.933 25.987 1.00 0.14 N ATOM 331 CA ILE A 20 -15.668 -10.561 26.421 1.00 33.25 C ATOM 332 C ILE A 20 -15.270 -10.510 27.892 1.00 4.43 C ATOM 333 O ILE A 20 -15.801 -11.251 28.717 1.00 31.01 O ATOM 334 CB ILE A 20 -16.917 -9.686 26.209 1.00 33.04 C ATOM 335 CG1 ILE A 20 -17.477 -9.892 24.800 1.00 32.15 C ATOM 336 CG2 ILE A 20 -16.584 -8.221 26.444 1.00 11.11 C ATOM 337 CD1 ILE A 20 -18.737 -9.100 24.529 1.00 42.20 C ATOM 0 H ILE A 20 -16.769 -12.342 26.326 1.00 0.14 H new ATOM 0 HA ILE A 20 -14.853 -10.170 25.812 1.00 33.25 H new ATOM 0 HB ILE A 20 -17.678 -9.985 26.930 1.00 33.04 H new ATOM 0 HG12 ILE A 20 -16.717 -9.611 24.071 1.00 32.15 H new ATOM 0 HG13 ILE A 20 -17.685 -10.952 24.652 1.00 32.15 H new ATOM 0 HG21 ILE A 20 -17.477 -7.616 26.290 1.00 11.11 H new ATOM 0 HG22 ILE A 20 -16.227 -8.088 27.465 1.00 11.11 H new ATOM 0 HG23 ILE A 20 -15.809 -7.907 25.745 1.00 11.11 H new ATOM 0 HD11 ILE A 20 -19.077 -9.295 23.512 1.00 42.20 H new ATOM 0 HD12 ILE A 20 -19.513 -9.398 25.235 1.00 42.20 H new ATOM 0 HD13 ILE A 20 -18.530 -8.036 24.645 1.00 42.20 H new ATOM 349 N GLY A 21 -14.329 -9.626 28.215 1.00 4.13 N ATOM 350 CA GLY A 21 -13.876 -9.492 29.587 1.00 62.52 C ATOM 351 C GLY A 21 -13.044 -10.675 30.040 1.00 10.52 C ATOM 352 O GLY A 21 -13.301 -11.256 31.094 1.00 13.11 O ATOM 0 H GLY A 21 -13.873 -9.001 27.550 1.00 4.13 H new ATOM 0 HA2 GLY A 21 -13.288 -8.579 29.685 1.00 62.52 H new ATOM 0 HA3 GLY A 21 -14.740 -9.387 30.243 1.00 62.52 H new ATOM 356 N ALA A 22 -12.044 -11.034 29.242 1.00 14.24 N ATOM 357 CA ALA A 22 -11.171 -12.155 29.566 1.00 24.05 C ATOM 358 C ALA A 22 -9.908 -11.680 30.277 1.00 13.45 C ATOM 359 O ALA A 22 -9.533 -10.512 30.181 1.00 23.13 O ATOM 360 CB ALA A 22 -10.811 -12.926 28.306 1.00 63.11 C ATOM 0 H ALA A 22 -11.818 -10.564 28.365 1.00 14.24 H new ATOM 0 HA ALA A 22 -11.710 -12.818 30.243 1.00 24.05 H new ATOM 0 HB1 ALA A 22 -10.159 -13.760 28.564 1.00 63.11 H new ATOM 0 HB2 ALA A 22 -11.720 -13.307 27.840 1.00 63.11 H new ATOM 0 HB3 ALA A 22 -10.296 -12.265 27.609 1.00 63.11 H new ATOM 366 N SER A 23 -9.259 -12.593 30.993 1.00 20.43 N ATOM 367 CA SER A 23 -8.041 -12.264 31.724 1.00 45.41 C ATOM 368 C SER A 23 -6.814 -12.840 31.022 1.00 32.33 C ATOM 369 O SER A 23 -6.585 -14.049 31.040 1.00 40.44 O ATOM 370 CB SER A 23 -8.121 -12.800 33.156 1.00 52.44 C ATOM 371 OG SER A 23 -9.113 -12.116 33.900 1.00 21.24 O ATOM 0 H SER A 23 -9.556 -13.565 31.082 1.00 20.43 H new ATOM 0 HA SER A 23 -7.946 -11.179 31.754 1.00 45.41 H new ATOM 0 HB2 SER A 23 -8.347 -13.866 33.137 1.00 52.44 H new ATOM 0 HB3 SER A 23 -7.153 -12.688 33.645 1.00 52.44 H new ATOM 0 HG SER A 23 -9.146 -12.477 34.810 1.00 21.24 H new ATOM 377 N VAL A 24 -6.029 -11.964 30.403 1.00 70.10 N ATOM 378 CA VAL A 24 -4.825 -12.383 29.696 1.00 11.40 C ATOM 379 C VAL A 24 -3.570 -11.893 30.409 1.00 21.15 C ATOM 380 O VAL A 24 -3.442 -10.708 30.718 1.00 75.44 O ATOM 381 CB VAL A 24 -4.816 -11.861 28.246 1.00 12.12 C ATOM 382 CG1 VAL A 24 -3.682 -12.497 27.457 1.00 65.33 C ATOM 383 CG2 VAL A 24 -6.155 -12.125 27.577 1.00 64.12 C ATOM 0 H VAL A 24 -6.205 -10.960 30.377 1.00 70.10 H new ATOM 0 HA VAL A 24 -4.829 -13.473 29.682 1.00 11.40 H new ATOM 0 HB VAL A 24 -4.653 -10.784 28.267 1.00 12.12 H new ATOM 0 HG11 VAL A 24 -3.691 -12.117 26.436 1.00 65.33 H new ATOM 0 HG12 VAL A 24 -2.730 -12.252 27.927 1.00 65.33 H new ATOM 0 HG13 VAL A 24 -3.811 -13.579 27.442 1.00 65.33 H new ATOM 0 HG21 VAL A 24 -6.131 -11.750 26.554 1.00 64.12 H new ATOM 0 HG22 VAL A 24 -6.351 -13.197 27.566 1.00 64.12 H new ATOM 0 HG23 VAL A 24 -6.945 -11.617 28.131 1.00 64.12 H new ATOM 393 N VAL A 25 -2.644 -12.812 30.666 1.00 54.40 N ATOM 394 CA VAL A 25 -1.398 -12.473 31.341 1.00 74.22 C ATOM 395 C VAL A 25 -0.254 -13.359 30.859 1.00 74.52 C ATOM 396 O VAL A 25 -0.429 -14.559 30.656 1.00 52.34 O ATOM 397 CB VAL A 25 -1.531 -12.612 32.869 1.00 4.15 C ATOM 398 CG1 VAL A 25 -2.708 -11.794 33.379 1.00 41.31 C ATOM 399 CG2 VAL A 25 -1.678 -14.075 33.260 1.00 31.03 C ATOM 0 H VAL A 25 -2.734 -13.797 30.417 1.00 54.40 H new ATOM 0 HA VAL A 25 -1.178 -11.434 31.096 1.00 74.22 H new ATOM 0 HB VAL A 25 -0.623 -12.226 33.332 1.00 4.15 H new ATOM 0 HG11 VAL A 25 -2.786 -11.904 34.461 1.00 41.31 H new ATOM 0 HG12 VAL A 25 -2.555 -10.743 33.132 1.00 41.31 H new ATOM 0 HG13 VAL A 25 -3.627 -12.147 32.911 1.00 41.31 H new ATOM 0 HG21 VAL A 25 -1.771 -14.155 34.343 1.00 31.03 H new ATOM 0 HG22 VAL A 25 -2.569 -14.490 32.788 1.00 31.03 H new ATOM 0 HG23 VAL A 25 -0.800 -14.630 32.929 1.00 31.03 H new ATOM 409 N GLU A 26 0.918 -12.758 30.679 1.00 60.03 N ATOM 410 CA GLU A 26 2.091 -13.492 30.221 1.00 2.03 C ATOM 411 C GLU A 26 2.629 -14.400 31.324 1.00 74.12 C ATOM 412 O GLU A 26 2.152 -14.369 32.458 1.00 32.34 O ATOM 413 CB GLU A 26 3.182 -12.522 29.765 1.00 54.12 C ATOM 414 CG GLU A 26 2.693 -11.476 28.777 1.00 11.04 C ATOM 415 CD GLU A 26 3.766 -10.466 28.419 1.00 42.11 C ATOM 416 OE1 GLU A 26 3.429 -9.274 28.257 1.00 1.54 O ATOM 417 OE2 GLU A 26 4.942 -10.867 28.300 1.00 73.20 O1- ATOM 0 H GLU A 26 1.080 -11.764 30.844 1.00 60.03 H new ATOM 0 HA GLU A 26 1.793 -14.113 29.376 1.00 2.03 H new ATOM 0 HB2 GLU A 26 3.597 -12.019 30.638 1.00 54.12 H new ATOM 0 HB3 GLU A 26 3.993 -13.089 29.309 1.00 54.12 H new ATOM 0 HG2 GLU A 26 2.348 -11.972 27.869 1.00 11.04 H new ATOM 0 HG3 GLU A 26 1.835 -10.954 29.201 1.00 11.04 H new ATOM 424 N THR A 27 3.628 -15.208 30.982 1.00 32.44 N ATOM 425 CA THR A 27 4.231 -16.125 31.941 1.00 21.42 C ATOM 426 C THR A 27 5.193 -15.394 32.871 1.00 43.23 C ATOM 427 O THR A 27 5.305 -15.727 34.051 1.00 52.43 O ATOM 428 CB THR A 27 4.988 -17.263 31.230 1.00 43.33 C ATOM 429 OG1 THR A 27 5.445 -16.820 29.947 1.00 43.23 O ATOM 430 CG2 THR A 27 4.098 -18.484 31.062 1.00 11.11 C ATOM 0 H THR A 27 4.036 -15.246 30.048 1.00 32.44 H new ATOM 0 HA THR A 27 3.416 -16.550 32.527 1.00 21.42 H new ATOM 0 HB THR A 27 5.844 -17.540 31.846 1.00 43.33 H new ATOM 0 HG1 THR A 27 4.717 -16.899 29.295 1.00 43.23 H new ATOM 0 HG21 THR A 27 4.655 -19.274 30.558 1.00 11.11 H new ATOM 0 HG22 THR A 27 3.775 -18.837 32.042 1.00 11.11 H new ATOM 0 HG23 THR A 27 3.225 -18.219 30.466 1.00 11.11 H new ATOM 438 N THR A 28 5.885 -14.394 32.333 1.00 30.42 N ATOM 439 CA THR A 28 6.836 -13.616 33.115 1.00 4.41 C ATOM 440 C THR A 28 6.353 -12.184 33.303 1.00 13.12 C ATOM 441 O THR A 28 6.769 -11.494 34.234 1.00 64.00 O ATOM 442 CB THR A 28 8.225 -13.593 32.448 1.00 64.03 C ATOM 443 OG1 THR A 28 8.097 -13.272 31.059 1.00 63.55 O ATOM 444 CG2 THR A 28 8.922 -14.937 32.601 1.00 20.21 C ATOM 0 H THR A 28 5.804 -14.105 31.358 1.00 30.42 H new ATOM 0 HA THR A 28 6.915 -14.100 34.088 1.00 4.41 H new ATOM 0 HB THR A 28 8.827 -12.831 32.942 1.00 64.03 H new ATOM 0 HG1 THR A 28 8.984 -13.258 30.643 1.00 63.55 H new ATOM 0 HG21 THR A 28 9.900 -14.896 32.122 1.00 20.21 H new ATOM 0 HG22 THR A 28 9.045 -15.164 33.660 1.00 20.21 H new ATOM 0 HG23 THR A 28 8.320 -15.715 32.131 1.00 20.21 H new ATOM 452 N ALA A 29 5.469 -11.740 32.414 1.00 21.15 N ATOM 453 CA ALA A 29 4.926 -10.390 32.485 1.00 63.21 C ATOM 454 C ALA A 29 3.413 -10.416 32.674 1.00 61.33 C ATOM 455 O ALA A 29 2.654 -10.219 31.726 1.00 2.51 O ATOM 456 CB ALA A 29 5.289 -9.608 31.231 1.00 62.41 C ATOM 0 H ALA A 29 5.114 -12.297 31.636 1.00 21.15 H new ATOM 0 HA ALA A 29 5.366 -9.894 33.350 1.00 63.21 H new ATOM 0 HB1 ALA A 29 4.877 -8.601 31.298 1.00 62.41 H new ATOM 0 HB2 ALA A 29 6.374 -9.551 31.139 1.00 62.41 H new ATOM 0 HB3 ALA A 29 4.877 -10.111 30.356 1.00 62.41 H new ATOM 462 N THR A 30 2.981 -10.660 33.908 1.00 64.05 N ATOM 463 CA THR A 30 1.558 -10.715 34.222 1.00 52.03 C ATOM 464 C THR A 30 0.996 -9.319 34.471 1.00 44.32 C ATOM 465 O THR A 30 -0.122 -9.006 34.062 1.00 33.44 O ATOM 466 CB THR A 30 1.288 -11.593 35.458 1.00 73.01 C ATOM 467 OG1 THR A 30 1.729 -12.932 35.213 1.00 1.52 O ATOM 468 CG2 THR A 30 -0.193 -11.596 35.807 1.00 41.22 C ATOM 0 H THR A 30 3.596 -10.823 34.706 1.00 64.05 H new ATOM 0 HA THR A 30 1.061 -11.156 33.358 1.00 52.03 H new ATOM 0 HB THR A 30 1.842 -11.177 36.300 1.00 73.01 H new ATOM 0 HG1 THR A 30 1.762 -13.094 34.247 1.00 1.52 H new ATOM 0 HG21 THR A 30 -0.359 -12.223 36.683 1.00 41.22 H new ATOM 0 HG22 THR A 30 -0.518 -10.578 36.022 1.00 41.22 H new ATOM 0 HG23 THR A 30 -0.764 -11.989 34.966 1.00 41.22 H new ATOM 476 N THR A 31 1.780 -8.483 35.145 1.00 20.21 N ATOM 477 CA THR A 31 1.361 -7.121 35.450 1.00 74.23 C ATOM 478 C THR A 31 0.929 -6.383 34.188 1.00 5.21 C ATOM 479 O THR A 31 0.080 -5.494 34.237 1.00 44.33 O ATOM 480 CB THR A 31 2.490 -6.326 36.133 1.00 70.21 C ATOM 481 OG1 THR A 31 3.755 -6.688 35.570 1.00 65.04 O ATOM 482 CG2 THR A 31 2.503 -6.586 37.633 1.00 32.33 C ATOM 0 H THR A 31 2.709 -8.726 35.490 1.00 20.21 H new ATOM 0 HA THR A 31 0.514 -7.196 36.132 1.00 74.23 H new ATOM 0 HB THR A 31 2.310 -5.264 35.965 1.00 70.21 H new ATOM 0 HG1 THR A 31 4.467 -6.177 36.009 1.00 65.04 H new ATOM 0 HG21 THR A 31 3.308 -6.014 38.094 1.00 32.33 H new ATOM 0 HG22 THR A 31 1.549 -6.281 38.063 1.00 32.33 H new ATOM 0 HG23 THR A 31 2.661 -7.649 37.817 1.00 32.33 H new ATOM 490 N ASN A 32 1.519 -6.758 33.057 1.00 33.34 N ATOM 491 CA ASN A 32 1.193 -6.132 31.781 1.00 52.15 C ATOM 492 C ASN A 32 0.126 -6.931 31.039 1.00 70.20 C ATOM 493 O ASN A 32 0.101 -6.960 29.810 1.00 25.25 O ATOM 494 CB ASN A 32 2.448 -6.008 30.915 1.00 21.20 C ATOM 495 CG ASN A 32 2.233 -5.111 29.712 1.00 12.02 C ATOM 496 OD1 ASN A 32 1.735 -3.993 29.838 1.00 74.30 O ATOM 497 ND2 ASN A 32 2.609 -5.599 28.535 1.00 53.21 N ATOM 0 H ASN A 32 2.225 -7.492 32.999 1.00 33.34 H new ATOM 0 HA ASN A 32 0.799 -5.136 31.984 1.00 52.15 H new ATOM 0 HB2 ASN A 32 3.265 -5.612 31.518 1.00 21.20 H new ATOM 0 HB3 ASN A 32 2.752 -6.999 30.577 1.00 21.20 H new ATOM 0 HD21 ASN A 32 2.489 -5.041 27.690 1.00 53.21 H new ATOM 0 HD22 ASN A 32 3.018 -6.532 28.477 1.00 53.21 H new ATOM 504 N GLY A 33 -0.754 -7.580 31.796 1.00 61.22 N ATOM 505 CA GLY A 33 -1.812 -8.371 31.193 1.00 53.12 C ATOM 506 C GLY A 33 -2.834 -7.517 30.471 1.00 52.44 C ATOM 507 O GLY A 33 -2.889 -6.302 30.666 1.00 13.13 O ATOM 0 H GLY A 33 -0.753 -7.572 32.816 1.00 61.22 H new ATOM 0 HA2 GLY A 33 -1.375 -9.081 30.491 1.00 53.12 H new ATOM 0 HA3 GLY A 33 -2.312 -8.954 31.967 1.00 53.12 H new ATOM 511 N THR A 34 -3.649 -8.151 29.635 1.00 73.43 N ATOM 512 CA THR A 34 -4.674 -7.442 28.879 1.00 24.51 C ATOM 513 C THR A 34 -6.002 -8.190 28.916 1.00 64.20 C ATOM 514 O THR A 34 -6.064 -9.341 29.351 1.00 40.52 O ATOM 515 CB THR A 34 -4.251 -7.241 27.411 1.00 43.53 C ATOM 516 OG1 THR A 34 -5.225 -6.446 26.726 1.00 72.33 O ATOM 517 CG2 THR A 34 -4.095 -8.580 26.705 1.00 1.21 C ATOM 0 H THR A 34 -3.619 -9.156 29.464 1.00 73.43 H new ATOM 0 HA THR A 34 -4.797 -6.467 29.351 1.00 24.51 H new ATOM 0 HB THR A 34 -3.290 -6.728 27.399 1.00 43.53 H new ATOM 0 HG1 THR A 34 -4.949 -6.321 25.794 1.00 72.33 H new ATOM 0 HG21 THR A 34 -3.796 -8.413 25.670 1.00 1.21 H new ATOM 0 HG22 THR A 34 -3.333 -9.172 27.212 1.00 1.21 H new ATOM 0 HG23 THR A 34 -5.044 -9.115 26.727 1.00 1.21 H new ATOM 525 N ILE A 35 -7.059 -7.530 28.459 1.00 53.35 N ATOM 526 CA ILE A 35 -8.387 -8.135 28.439 1.00 41.13 C ATOM 527 C ILE A 35 -8.954 -8.168 27.024 1.00 31.20 C ATOM 528 O ILE A 35 -8.627 -7.321 26.192 1.00 21.21 O ATOM 529 CB ILE A 35 -9.365 -7.376 29.355 1.00 72.12 C ATOM 530 CG1 ILE A 35 -9.304 -5.874 29.070 1.00 3.53 C ATOM 531 CG2 ILE A 35 -9.048 -7.656 30.816 1.00 55.24 C ATOM 532 CD1 ILE A 35 -10.484 -5.105 29.621 1.00 62.41 C ATOM 0 H ILE A 35 -7.024 -6.577 28.097 1.00 53.35 H new ATOM 0 HA ILE A 35 -8.275 -9.155 28.807 1.00 41.13 H new ATOM 0 HB ILE A 35 -10.377 -7.725 29.149 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -8.386 -5.469 29.496 1.00 3.53 H new ATOM 0 HG13 ILE A 35 -9.251 -5.719 27.992 1.00 3.53 H new ATOM 0 HG21 ILE A 35 -9.748 -7.112 31.451 1.00 55.24 H new ATOM 0 HG22 ILE A 35 -9.138 -8.725 31.009 1.00 55.24 H new ATOM 0 HG23 ILE A 35 -8.031 -7.331 31.036 1.00 55.24 H new ATOM 0 HD11 ILE A 35 -10.373 -4.047 29.381 1.00 62.41 H new ATOM 0 HD12 ILE A 35 -11.404 -5.483 29.176 1.00 62.41 H new ATOM 0 HD13 ILE A 35 -10.526 -5.229 30.703 1.00 62.41 H new ATOM 544 N THR A 36 -9.807 -9.152 26.758 1.00 11.05 N ATOM 545 CA THR A 36 -10.422 -9.296 25.444 1.00 11.35 C ATOM 546 C THR A 36 -11.504 -8.245 25.225 1.00 20.04 C ATOM 547 O THR A 36 -12.141 -7.790 26.175 1.00 42.14 O ATOM 548 CB THR A 36 -11.037 -10.696 25.262 1.00 15.54 C ATOM 549 OG1 THR A 36 -11.861 -11.020 26.389 1.00 5.11 O ATOM 550 CG2 THR A 36 -9.951 -11.748 25.104 1.00 55.34 C ATOM 0 H THR A 36 -10.088 -9.861 27.435 1.00 11.05 H new ATOM 0 HA THR A 36 -9.630 -9.157 24.708 1.00 11.35 H new ATOM 0 HB THR A 36 -11.646 -10.686 24.358 1.00 15.54 H new ATOM 0 HG1 THR A 36 -12.694 -11.431 26.078 1.00 5.11 H new ATOM 0 HG21 THR A 36 -10.410 -12.728 24.977 1.00 55.34 H new ATOM 0 HG22 THR A 36 -9.344 -11.515 24.229 1.00 55.34 H new ATOM 0 HG23 THR A 36 -9.320 -11.755 25.992 1.00 55.34 H new ATOM 558 N ASP A 37 -11.707 -7.865 23.968 1.00 12.13 N ATOM 559 CA ASP A 37 -12.715 -6.868 23.624 1.00 12.53 C ATOM 560 C ASP A 37 -14.030 -7.536 23.235 1.00 15.53 C ATOM 561 O ASP A 37 -14.151 -8.761 23.273 1.00 0.31 O ATOM 562 CB ASP A 37 -12.218 -5.986 22.479 1.00 5.44 C ATOM 563 CG ASP A 37 -12.654 -4.541 22.631 1.00 34.54 C ATOM 564 OD1 ASP A 37 -12.921 -3.890 21.599 1.00 11.40 O ATOM 565 OD2 ASP A 37 -12.727 -4.061 23.781 1.00 5.53 O1- ATOM 0 H ASP A 37 -11.187 -8.232 23.171 1.00 12.13 H new ATOM 0 HA ASP A 37 -12.891 -6.246 24.502 1.00 12.53 H new ATOM 0 HB2 ASP A 37 -11.130 -6.032 22.435 1.00 5.44 H new ATOM 0 HB3 ASP A 37 -12.592 -6.378 21.533 1.00 5.44 H new ATOM 570 N PHE A 38 -15.013 -6.724 22.863 1.00 33.31 N ATOM 571 CA PHE A 38 -16.320 -7.237 22.469 1.00 53.25 C ATOM 572 C PHE A 38 -16.192 -8.227 21.315 1.00 61.41 C ATOM 573 O PHE A 38 -16.991 -9.153 21.187 1.00 72.12 O ATOM 574 CB PHE A 38 -17.243 -6.085 22.067 1.00 35.41 C ATOM 575 CG PHE A 38 -17.978 -5.472 23.225 1.00 23.40 C ATOM 576 CD1 PHE A 38 -19.307 -5.786 23.463 1.00 64.43 C ATOM 577 CD2 PHE A 38 -17.340 -4.584 24.076 1.00 13.51 C ATOM 578 CE1 PHE A 38 -19.987 -5.225 24.527 1.00 20.23 C ATOM 579 CE2 PHE A 38 -18.014 -4.021 25.142 1.00 23.43 C ATOM 580 CZ PHE A 38 -19.339 -4.340 25.368 1.00 34.05 C ATOM 0 H PHE A 38 -14.930 -5.708 22.826 1.00 33.31 H new ATOM 0 HA PHE A 38 -16.750 -7.758 23.324 1.00 53.25 H new ATOM 0 HB2 PHE A 38 -16.653 -5.313 21.572 1.00 35.41 H new ATOM 0 HB3 PHE A 38 -17.968 -6.448 21.338 1.00 35.41 H new ATOM 0 HD1 PHE A 38 -19.817 -6.478 22.809 1.00 64.43 H new ATOM 0 HD2 PHE A 38 -16.305 -4.329 23.904 1.00 13.51 H new ATOM 0 HE1 PHE A 38 -21.023 -5.477 24.701 1.00 20.23 H new ATOM 0 HE2 PHE A 38 -17.505 -3.331 25.799 1.00 23.43 H new ATOM 0 HZ PHE A 38 -19.867 -3.899 26.200 1.00 34.05 H new ATOM 590 N ASP A 39 -15.180 -8.022 20.479 1.00 22.51 N ATOM 591 CA ASP A 39 -14.945 -8.896 19.335 1.00 30.24 C ATOM 592 C ASP A 39 -14.387 -10.243 19.786 1.00 3.40 C ATOM 593 O ASP A 39 -14.440 -11.226 19.048 1.00 20.40 O ATOM 594 CB ASP A 39 -13.979 -8.235 18.351 1.00 73.22 C ATOM 595 CG ASP A 39 -14.685 -7.304 17.385 1.00 23.23 C ATOM 596 OD1 ASP A 39 -15.688 -7.730 16.776 1.00 51.04 O ATOM 597 OD2 ASP A 39 -14.233 -6.149 17.238 1.00 72.53 O1- ATOM 0 H ASP A 39 -14.510 -7.259 20.572 1.00 22.51 H new ATOM 0 HA ASP A 39 -15.900 -9.066 18.837 1.00 30.24 H new ATOM 0 HB2 ASP A 39 -13.226 -7.675 18.906 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -13.453 -9.007 17.789 1.00 73.22 H new ATOM 602 N GLY A 40 -13.854 -10.279 21.003 1.00 73.03 N ATOM 603 CA GLY A 40 -13.294 -11.510 21.531 1.00 73.43 C ATOM 604 C GLY A 40 -11.825 -11.670 21.193 1.00 75.31 C ATOM 605 O GLY A 40 -11.325 -12.790 21.082 1.00 64.34 O ATOM 0 H GLY A 40 -13.800 -9.478 21.633 1.00 73.03 H new ATOM 0 HA2 GLY A 40 -13.419 -11.527 22.614 1.00 73.43 H new ATOM 0 HA3 GLY A 40 -13.850 -12.359 21.133 1.00 73.43 H new ATOM 609 N ASN A 41 -11.132 -10.548 21.027 1.00 12.43 N ATOM 610 CA ASN A 41 -9.711 -10.570 20.697 1.00 23.51 C ATOM 611 C ASN A 41 -8.935 -9.585 21.566 1.00 23.24 C ATOM 612 O ASN A 41 -9.518 -8.697 22.189 1.00 21.02 O ATOM 613 CB ASN A 41 -9.505 -10.234 19.218 1.00 52.24 C ATOM 614 CG ASN A 41 -10.004 -8.847 18.866 1.00 71.23 C ATOM 615 OD1 ASN A 41 -9.535 -7.848 19.412 1.00 52.35 O ATOM 616 ND2 ASN A 41 -10.962 -8.778 17.948 1.00 22.41 N ATOM 0 H ASN A 41 -11.530 -9.613 21.115 1.00 12.43 H new ATOM 0 HA ASN A 41 -9.334 -11.574 20.891 1.00 23.51 H new ATOM 0 HB2 ASN A 41 -8.445 -10.308 18.976 1.00 52.24 H new ATOM 0 HB3 ASN A 41 -10.024 -10.971 18.605 1.00 52.24 H new ATOM 0 HD21 ASN A 41 -11.338 -7.871 17.670 1.00 22.41 H new ATOM 0 HD22 ASN A 41 -11.322 -9.632 17.521 1.00 22.41 H new ATOM 623 N PHE A 42 -7.617 -9.749 21.605 1.00 71.21 N ATOM 624 CA PHE A 42 -6.761 -8.875 22.398 1.00 52.03 C ATOM 625 C PHE A 42 -5.424 -8.645 21.701 1.00 31.22 C ATOM 626 O PHE A 42 -5.087 -9.329 20.734 1.00 60.33 O ATOM 627 CB PHE A 42 -6.527 -9.478 23.786 1.00 2.54 C ATOM 628 CG PHE A 42 -6.014 -10.888 23.748 1.00 44.22 C ATOM 629 CD1 PHE A 42 -4.660 -11.149 23.887 1.00 24.02 C ATOM 630 CD2 PHE A 42 -6.883 -11.953 23.574 1.00 22.24 C ATOM 631 CE1 PHE A 42 -4.183 -12.447 23.853 1.00 64.14 C ATOM 632 CE2 PHE A 42 -6.412 -13.252 23.540 1.00 3.45 C ATOM 633 CZ PHE A 42 -5.060 -13.499 23.678 1.00 22.53 C ATOM 0 H PHE A 42 -7.118 -10.479 21.097 1.00 71.21 H new ATOM 0 HA PHE A 42 -7.265 -7.915 22.506 1.00 52.03 H new ATOM 0 HB2 PHE A 42 -5.815 -8.856 24.328 1.00 2.54 H new ATOM 0 HB3 PHE A 42 -7.462 -9.455 24.346 1.00 2.54 H new ATOM 0 HD1 PHE A 42 -3.970 -10.330 24.023 1.00 24.02 H new ATOM 0 HD2 PHE A 42 -7.941 -11.766 23.464 1.00 22.24 H new ATOM 0 HE1 PHE A 42 -3.126 -12.637 23.963 1.00 64.14 H new ATOM 0 HE2 PHE A 42 -7.100 -14.073 23.406 1.00 3.45 H new ATOM 0 HZ PHE A 42 -4.690 -14.513 23.649 1.00 22.53 H new ATOM 643 N THR A 43 -4.664 -7.673 22.198 1.00 70.14 N ATOM 644 CA THR A 43 -3.365 -7.350 21.622 1.00 1.25 C ATOM 645 C THR A 43 -2.317 -7.145 22.711 1.00 72.34 C ATOM 646 O THR A 43 -2.479 -6.300 23.592 1.00 32.41 O ATOM 647 CB THR A 43 -3.436 -6.082 20.750 1.00 55.40 C ATOM 648 OG1 THR A 43 -2.117 -5.659 20.389 1.00 61.44 O ATOM 649 CG2 THR A 43 -4.151 -4.959 21.486 1.00 0.43 C ATOM 0 H THR A 43 -4.926 -7.097 22.998 1.00 70.14 H new ATOM 0 HA THR A 43 -3.077 -8.196 20.998 1.00 1.25 H new ATOM 0 HB THR A 43 -3.999 -6.320 19.848 1.00 55.40 H new ATOM 0 HG1 THR A 43 -2.172 -4.853 19.834 1.00 61.44 H new ATOM 0 HG21 THR A 43 -4.189 -4.074 20.851 1.00 0.43 H new ATOM 0 HG22 THR A 43 -5.165 -5.273 21.732 1.00 0.43 H new ATOM 0 HG23 THR A 43 -3.612 -4.724 22.404 1.00 0.43 H new ATOM 657 N LEU A 44 -1.242 -7.921 22.642 1.00 30.33 N ATOM 658 CA LEU A 44 -0.165 -7.825 23.623 1.00 30.51 C ATOM 659 C LEU A 44 1.198 -7.907 22.944 1.00 15.23 C ATOM 660 O LEU A 44 1.529 -8.911 22.313 1.00 43.42 O ATOM 661 CB LEU A 44 -0.296 -8.937 24.666 1.00 2.24 C ATOM 662 CG LEU A 44 0.154 -8.584 26.084 1.00 41.34 C ATOM 663 CD1 LEU A 44 0.084 -9.806 26.985 1.00 14.32 C ATOM 664 CD2 LEU A 44 1.564 -8.011 26.068 1.00 72.23 C ATOM 0 H LEU A 44 -1.092 -8.624 21.918 1.00 30.33 H new ATOM 0 HA LEU A 44 -0.246 -6.859 24.120 1.00 30.51 H new ATOM 0 HB2 LEU A 44 -1.339 -9.250 24.705 1.00 2.24 H new ATOM 0 HB3 LEU A 44 0.282 -9.796 24.326 1.00 2.24 H new ATOM 0 HG LEU A 44 -0.521 -7.826 26.481 1.00 41.34 H new ATOM 0 HD11 LEU A 44 0.408 -9.536 27.990 1.00 14.32 H new ATOM 0 HD12 LEU A 44 -0.942 -10.173 27.021 1.00 14.32 H new ATOM 0 HD13 LEU A 44 0.735 -10.586 26.591 1.00 14.32 H new ATOM 0 HD21 LEU A 44 1.868 -7.765 27.085 1.00 72.23 H new ATOM 0 HD22 LEU A 44 2.251 -8.747 25.651 1.00 72.23 H new ATOM 0 HD23 LEU A 44 1.583 -7.109 25.456 1.00 72.23 H new ATOM 676 N SER A 45 1.988 -6.846 23.081 1.00 73.42 N ATOM 677 CA SER A 45 3.315 -6.798 22.479 1.00 30.11 C ATOM 678 C SER A 45 4.376 -7.277 23.466 1.00 54.45 C ATOM 679 O SER A 45 4.606 -6.651 24.501 1.00 53.14 O ATOM 680 CB SER A 45 3.637 -5.376 22.019 1.00 12.24 C ATOM 681 OG SER A 45 4.956 -5.291 21.509 1.00 52.35 O ATOM 0 H SER A 45 1.732 -6.008 23.604 1.00 73.42 H new ATOM 0 HA SER A 45 3.320 -7.462 21.615 1.00 30.11 H new ATOM 0 HB2 SER A 45 2.927 -5.069 21.251 1.00 12.24 H new ATOM 0 HB3 SER A 45 3.522 -4.685 22.854 1.00 12.24 H new ATOM 0 HG SER A 45 5.137 -4.372 21.220 1.00 52.35 H new ATOM 687 N VAL A 46 5.019 -8.392 23.137 1.00 11.02 N ATOM 688 CA VAL A 46 6.057 -8.957 23.992 1.00 13.10 C ATOM 689 C VAL A 46 7.421 -8.893 23.316 1.00 41.33 C ATOM 690 O VAL A 46 7.533 -8.839 22.091 1.00 34.03 O ATOM 691 CB VAL A 46 5.746 -10.420 24.361 1.00 71.43 C ATOM 692 CG1 VAL A 46 4.677 -10.483 25.441 1.00 64.43 C ATOM 693 CG2 VAL A 46 5.316 -11.199 23.128 1.00 21.52 C ATOM 0 H VAL A 46 4.840 -8.923 22.284 1.00 11.02 H new ATOM 0 HA VAL A 46 6.078 -8.358 24.902 1.00 13.10 H new ATOM 0 HB VAL A 46 6.653 -10.878 24.755 1.00 71.43 H new ATOM 0 HG11 VAL A 46 4.471 -11.524 25.688 1.00 64.43 H new ATOM 0 HG12 VAL A 46 5.028 -9.961 26.331 1.00 64.43 H new ATOM 0 HG13 VAL A 46 3.765 -10.009 25.078 1.00 64.43 H new ATOM 0 HG21 VAL A 46 5.100 -12.231 23.406 1.00 21.52 H new ATOM 0 HG22 VAL A 46 4.422 -10.743 22.703 1.00 21.52 H new ATOM 0 HG23 VAL A 46 6.117 -11.183 22.389 1.00 21.52 H new ATOM 703 N PRO A 47 8.487 -8.901 24.130 1.00 12.13 N ATOM 704 CA PRO A 47 9.865 -8.847 23.632 1.00 2.21 C ATOM 705 C PRO A 47 10.275 -10.132 22.921 1.00 41.24 C ATOM 706 O PRO A 47 10.820 -10.095 21.818 1.00 33.23 O ATOM 707 CB PRO A 47 10.694 -8.651 24.903 1.00 32.44 C ATOM 708 CG PRO A 47 9.857 -9.225 25.994 1.00 60.01 C ATOM 709 CD PRO A 47 8.429 -8.966 25.601 1.00 52.01 C ATOM 0 HA PRO A 47 10.001 -8.058 22.893 1.00 2.21 H new ATOM 0 HB2 PRO A 47 11.655 -9.161 24.831 1.00 32.44 H new ATOM 0 HB3 PRO A 47 10.905 -7.596 25.079 1.00 32.44 H new ATOM 0 HG2 PRO A 47 10.043 -10.293 26.107 1.00 60.01 H new ATOM 0 HG3 PRO A 47 10.089 -8.758 26.951 1.00 60.01 H new ATOM 0 HD2 PRO A 47 7.767 -9.762 25.942 1.00 52.01 H new ATOM 0 HD3 PRO A 47 8.056 -8.036 26.030 1.00 52.01 H new ATOM 717 N VAL A 48 10.010 -11.267 23.559 1.00 62.33 N ATOM 718 CA VAL A 48 10.351 -12.564 22.987 1.00 40.41 C ATOM 719 C VAL A 48 9.097 -13.347 22.616 1.00 23.10 C ATOM 720 O VAL A 48 7.980 -12.850 22.748 1.00 71.24 O ATOM 721 CB VAL A 48 11.198 -13.403 23.962 1.00 11.01 C ATOM 722 CG1 VAL A 48 12.525 -12.716 24.244 1.00 61.40 C ATOM 723 CG2 VAL A 48 10.431 -13.652 25.254 1.00 30.33 C ATOM 0 H VAL A 48 9.560 -11.315 24.473 1.00 62.33 H new ATOM 0 HA VAL A 48 10.934 -12.370 22.087 1.00 40.41 H new ATOM 0 HB VAL A 48 11.407 -14.367 23.498 1.00 11.01 H new ATOM 0 HG11 VAL A 48 13.110 -13.324 24.935 1.00 61.40 H new ATOM 0 HG12 VAL A 48 13.077 -12.594 23.312 1.00 61.40 H new ATOM 0 HG13 VAL A 48 12.341 -11.738 24.688 1.00 61.40 H new ATOM 0 HG21 VAL A 48 11.044 -14.246 25.932 1.00 30.33 H new ATOM 0 HG22 VAL A 48 10.190 -12.698 25.724 1.00 30.33 H new ATOM 0 HG23 VAL A 48 9.509 -14.190 25.032 1.00 30.33 H new ATOM 733 N ASN A 49 9.291 -14.577 22.149 1.00 53.04 N ATOM 734 CA ASN A 49 8.175 -15.430 21.758 1.00 3.42 C ATOM 735 C ASN A 49 7.943 -16.529 22.790 1.00 15.14 C ATOM 736 O ASN A 49 8.109 -17.713 22.499 1.00 41.55 O ATOM 737 CB ASN A 49 8.439 -16.052 20.385 1.00 63.41 C ATOM 738 CG ASN A 49 8.962 -15.041 19.383 1.00 20.23 C ATOM 739 OD1 ASN A 49 10.155 -14.739 19.354 1.00 0.21 O ATOM 740 ND2 ASN A 49 8.069 -14.512 18.555 1.00 2.13 N ATOM 0 H ASN A 49 10.210 -15.004 22.032 1.00 53.04 H new ATOM 0 HA ASN A 49 7.279 -14.812 21.704 1.00 3.42 H new ATOM 0 HB2 ASN A 49 9.160 -16.863 20.489 1.00 63.41 H new ATOM 0 HB3 ASN A 49 7.517 -16.492 20.005 1.00 63.41 H new ATOM 0 HD21 ASN A 49 8.362 -13.826 17.859 1.00 2.13 H new ATOM 0 HD22 ASN A 49 7.090 -14.792 18.615 1.00 2.13 H new ATOM 747 N SER A 50 7.556 -16.127 23.997 1.00 44.25 N ATOM 748 CA SER A 50 7.304 -17.078 25.074 1.00 32.14 C ATOM 749 C SER A 50 5.833 -17.482 25.109 1.00 64.13 C ATOM 750 O SER A 50 5.070 -17.171 24.193 1.00 43.22 O ATOM 751 CB SER A 50 7.710 -16.475 26.420 1.00 24.20 C ATOM 752 OG SER A 50 7.912 -17.486 27.392 1.00 2.44 O ATOM 0 H SER A 50 7.410 -15.151 24.253 1.00 44.25 H new ATOM 0 HA SER A 50 7.904 -17.969 24.886 1.00 32.14 H new ATOM 0 HB2 SER A 50 8.624 -15.893 26.300 1.00 24.20 H new ATOM 0 HB3 SER A 50 6.937 -15.787 26.762 1.00 24.20 H new ATOM 0 HG SER A 50 8.172 -17.075 28.243 1.00 2.44 H new ATOM 758 N THR A 51 5.442 -18.178 26.171 1.00 5.13 N ATOM 759 CA THR A 51 4.064 -18.626 26.326 1.00 65.34 C ATOM 760 C THR A 51 3.213 -17.562 27.011 1.00 50.11 C ATOM 761 O THR A 51 3.738 -16.640 27.636 1.00 60.11 O ATOM 762 CB THR A 51 3.986 -19.932 27.140 1.00 55.53 C ATOM 763 OG1 THR A 51 5.250 -20.604 27.109 1.00 72.33 O ATOM 764 CG2 THR A 51 2.903 -20.848 26.591 1.00 1.44 C ATOM 0 H THR A 51 6.061 -18.444 26.937 1.00 5.13 H new ATOM 0 HA THR A 51 3.676 -18.807 25.324 1.00 65.34 H new ATOM 0 HB THR A 51 3.736 -19.679 28.170 1.00 55.53 H new ATOM 0 HG1 THR A 51 5.193 -21.432 27.630 1.00 72.33 H new ATOM 0 HG21 THR A 51 2.867 -21.763 27.182 1.00 1.44 H new ATOM 0 HG22 THR A 51 1.938 -20.343 26.644 1.00 1.44 H new ATOM 0 HG23 THR A 51 3.127 -21.095 25.553 1.00 1.44 H new ATOM 772 N LEU A 52 1.897 -17.696 26.888 1.00 33.00 N ATOM 773 CA LEU A 52 0.971 -16.746 27.497 1.00 60.43 C ATOM 774 C LEU A 52 -0.166 -17.471 28.207 1.00 61.44 C ATOM 775 O LEU A 52 -0.769 -18.394 27.657 1.00 62.04 O ATOM 776 CB LEU A 52 0.405 -15.804 26.432 1.00 25.32 C ATOM 777 CG LEU A 52 1.426 -15.166 25.490 1.00 24.22 C ATOM 778 CD1 LEU A 52 0.745 -14.674 24.220 1.00 0.43 C ATOM 779 CD2 LEU A 52 2.153 -14.023 26.184 1.00 44.14 C ATOM 0 H LEU A 52 1.447 -18.452 26.373 1.00 33.00 H new ATOM 0 HA LEU A 52 1.521 -16.163 28.236 1.00 60.43 H new ATOM 0 HB2 LEU A 52 -0.317 -16.358 25.832 1.00 25.32 H new ATOM 0 HB3 LEU A 52 -0.143 -15.007 26.935 1.00 25.32 H new ATOM 0 HG LEU A 52 2.161 -15.923 25.216 1.00 24.22 H new ATOM 0 HD11 LEU A 52 1.487 -14.223 23.561 1.00 0.43 H new ATOM 0 HD12 LEU A 52 0.272 -15.514 23.712 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -0.011 -13.932 24.477 1.00 0.43 H new ATOM 0 HD21 LEU A 52 2.876 -13.581 25.498 1.00 44.14 H new ATOM 0 HD22 LEU A 52 1.432 -13.265 26.489 1.00 44.14 H new ATOM 0 HD23 LEU A 52 2.673 -14.403 27.063 1.00 44.14 H new ATOM 791 N LYS A 53 -0.458 -17.049 29.432 1.00 74.15 N ATOM 792 CA LYS A 53 -1.525 -17.655 30.218 1.00 74.21 C ATOM 793 C LYS A 53 -2.799 -16.820 30.140 1.00 31.10 C ATOM 794 O LYS A 53 -2.789 -15.625 30.435 1.00 13.00 O ATOM 795 CB LYS A 53 -1.090 -17.805 31.678 1.00 14.13 C ATOM 796 CG LYS A 53 -2.169 -18.381 32.578 1.00 13.04 C ATOM 797 CD LYS A 53 -1.635 -18.676 33.969 1.00 71.31 C ATOM 798 CE LYS A 53 -1.993 -17.571 34.951 1.00 44.24 C ATOM 799 NZ LYS A 53 -0.974 -17.431 36.026 1.00 24.22 N1+ ATOM 0 H LYS A 53 0.031 -16.288 29.903 1.00 74.15 H new ATOM 0 HA LYS A 53 -1.732 -18.642 29.804 1.00 74.21 H new ATOM 0 HB2 LYS A 53 -0.211 -18.448 31.722 1.00 14.13 H new ATOM 0 HB3 LYS A 53 -0.791 -16.829 32.061 1.00 14.13 H new ATOM 0 HG2 LYS A 53 -3.000 -17.679 32.647 1.00 13.04 H new ATOM 0 HG3 LYS A 53 -2.562 -19.297 32.136 1.00 13.04 H new ATOM 0 HD2 LYS A 53 -2.042 -19.624 34.322 1.00 71.31 H new ATOM 0 HD3 LYS A 53 -0.552 -18.790 33.927 1.00 71.31 H new ATOM 0 HE2 LYS A 53 -2.088 -16.626 34.415 1.00 44.24 H new ATOM 0 HE3 LYS A 53 -2.965 -17.783 35.397 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 -1.255 -16.668 36.674 1.00 24.22 H new ATOM 0 HZ2 LYS A 53 -0.901 -18.324 36.554 1.00 24.22 H new ATOM 0 HZ3 LYS A 53 -0.052 -17.203 35.603 1.00 24.22 H new ATOM 813 N ILE A 54 -3.896 -17.458 29.742 1.00 64.31 N ATOM 814 CA ILE A 54 -5.177 -16.774 29.629 1.00 34.23 C ATOM 815 C ILE A 54 -6.246 -17.466 30.468 1.00 24.45 C ATOM 816 O ILE A 54 -6.559 -18.638 30.254 1.00 52.53 O ATOM 817 CB ILE A 54 -5.653 -16.709 28.165 1.00 12.32 C ATOM 818 CG1 ILE A 54 -4.485 -16.356 27.241 1.00 50.32 C ATOM 819 CG2 ILE A 54 -6.777 -15.695 28.018 1.00 55.33 C ATOM 820 CD1 ILE A 54 -4.875 -16.262 25.784 1.00 73.40 C ATOM 0 H ILE A 54 -3.922 -18.447 29.493 1.00 64.31 H new ATOM 0 HA ILE A 54 -5.027 -15.760 30.000 1.00 34.23 H new ATOM 0 HB ILE A 54 -6.035 -17.689 27.879 1.00 12.32 H new ATOM 0 HG12 ILE A 54 -4.058 -15.404 27.556 1.00 50.32 H new ATOM 0 HG13 ILE A 54 -3.704 -17.108 27.352 1.00 50.32 H new ATOM 0 HG21 ILE A 54 -7.102 -15.661 26.978 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -7.615 -15.986 28.651 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -6.420 -14.710 28.319 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -3.998 -16.009 25.188 1.00 73.40 H new ATOM 0 HD12 ILE A 54 -5.275 -17.220 25.452 1.00 73.40 H new ATOM 0 HD13 ILE A 54 -5.634 -15.489 25.660 1.00 73.40 H new ATOM 832 N THR A 55 -6.805 -16.733 31.426 1.00 53.10 N ATOM 833 CA THR A 55 -7.839 -17.275 32.299 1.00 62.11 C ATOM 834 C THR A 55 -9.177 -16.582 32.062 1.00 50.41 C ATOM 835 O THR A 55 -9.222 -15.412 31.678 1.00 11.34 O ATOM 836 CB THR A 55 -7.454 -17.130 33.783 1.00 60.51 C ATOM 837 OG1 THR A 55 -7.416 -15.746 34.145 1.00 12.50 O ATOM 838 CG2 THR A 55 -6.102 -17.770 34.057 1.00 13.32 C ATOM 0 H THR A 55 -6.559 -15.762 31.617 1.00 53.10 H new ATOM 0 HA THR A 55 -7.933 -18.334 32.058 1.00 62.11 H new ATOM 0 HB THR A 55 -8.207 -17.641 34.383 1.00 60.51 H new ATOM 0 HG1 THR A 55 -7.172 -15.662 35.090 1.00 12.50 H new ATOM 0 HG21 THR A 55 -5.852 -17.655 35.112 1.00 13.32 H new ATOM 0 HG22 THR A 55 -6.144 -18.830 33.808 1.00 13.32 H new ATOM 0 HG23 THR A 55 -5.339 -17.284 33.448 1.00 13.32 H new ATOM 846 N TYR A 56 -10.264 -17.310 32.292 1.00 11.42 N ATOM 847 CA TYR A 56 -11.602 -16.766 32.102 1.00 11.02 C ATOM 848 C TYR A 56 -12.491 -17.073 33.304 1.00 62.40 C ATOM 849 O TYR A 56 -12.291 -18.070 34.000 1.00 41.44 O ATOM 850 CB TYR A 56 -12.231 -17.336 30.830 1.00 44.12 C ATOM 851 CG TYR A 56 -11.387 -17.131 29.593 1.00 65.43 C ATOM 852 CD1 TYR A 56 -10.242 -17.888 29.376 1.00 22.43 C ATOM 853 CD2 TYR A 56 -11.735 -16.182 28.640 1.00 4.15 C ATOM 854 CE1 TYR A 56 -9.467 -17.704 28.248 1.00 32.34 C ATOM 855 CE2 TYR A 56 -10.966 -15.992 27.507 1.00 41.03 C ATOM 856 CZ TYR A 56 -9.834 -16.756 27.316 1.00 31.42 C ATOM 857 OH TYR A 56 -9.066 -16.570 26.190 1.00 41.25 O ATOM 0 H TYR A 56 -10.244 -18.279 32.610 1.00 11.42 H new ATOM 0 HA TYR A 56 -11.516 -15.684 32.004 1.00 11.02 H new ATOM 0 HB2 TYR A 56 -12.406 -18.403 30.968 1.00 44.12 H new ATOM 0 HB3 TYR A 56 -13.205 -16.871 30.676 1.00 44.12 H new ATOM 0 HD1 TYR A 56 -9.953 -18.633 30.102 1.00 22.43 H new ATOM 0 HD2 TYR A 56 -12.621 -15.583 28.787 1.00 4.15 H new ATOM 0 HE1 TYR A 56 -8.579 -18.299 28.097 1.00 32.34 H new ATOM 0 HE2 TYR A 56 -11.250 -15.250 26.776 1.00 41.03 H new ATOM 0 HH TYR A 56 -8.722 -17.434 25.882 1.00 41.25 H new ATOM 867 N ILE A 57 -13.472 -16.209 33.542 1.00 62.21 N ATOM 868 CA ILE A 57 -14.393 -16.388 34.659 1.00 35.22 C ATOM 869 C ILE A 57 -15.616 -17.196 34.238 1.00 41.02 C ATOM 870 O ILE A 57 -16.477 -16.705 33.509 1.00 74.23 O ATOM 871 CB ILE A 57 -14.856 -15.034 35.227 1.00 72.44 C ATOM 872 CG1 ILE A 57 -15.913 -15.249 36.314 1.00 51.25 C ATOM 873 CG2 ILE A 57 -15.404 -14.151 34.116 1.00 21.35 C ATOM 874 CD1 ILE A 57 -16.359 -13.967 36.984 1.00 34.03 C ATOM 0 H ILE A 57 -13.650 -15.379 32.977 1.00 62.21 H new ATOM 0 HA ILE A 57 -13.851 -16.931 35.433 1.00 35.22 H new ATOM 0 HB ILE A 57 -13.998 -14.531 35.673 1.00 72.44 H new ATOM 0 HG12 ILE A 57 -16.781 -15.741 35.874 1.00 51.25 H new ATOM 0 HG13 ILE A 57 -15.513 -15.925 37.070 1.00 51.25 H new ATOM 0 HG21 ILE A 57 -15.727 -13.198 34.535 1.00 21.35 H new ATOM 0 HG22 ILE A 57 -14.626 -13.976 33.373 1.00 21.35 H new ATOM 0 HG23 ILE A 57 -16.252 -14.646 33.643 1.00 21.35 H new ATOM 0 HD11 ILE A 57 -17.108 -14.194 37.743 1.00 34.03 H new ATOM 0 HD12 ILE A 57 -15.502 -13.485 37.454 1.00 34.03 H new ATOM 0 HD13 ILE A 57 -16.789 -13.298 36.239 1.00 34.03 H new ATOM 886 N GLY A 58 -15.686 -18.438 34.705 1.00 41.22 N ATOM 887 CA GLY A 58 -16.808 -19.295 34.369 1.00 34.45 C ATOM 888 C GLY A 58 -16.376 -20.577 33.686 1.00 45.03 C ATOM 889 O GLY A 58 -16.768 -21.670 34.095 1.00 23.42 O ATOM 0 H GLY A 58 -14.986 -18.867 35.310 1.00 41.22 H new ATOM 0 HA2 GLY A 58 -17.359 -19.539 35.277 1.00 34.45 H new ATOM 0 HA3 GLY A 58 -17.493 -18.753 33.717 1.00 34.45 H new ATOM 893 N TYR A 59 -15.565 -20.444 32.641 1.00 61.23 N ATOM 894 CA TYR A 59 -15.082 -21.602 31.896 1.00 30.13 C ATOM 895 C TYR A 59 -13.626 -21.902 32.241 1.00 1.25 C ATOM 896 O TYR A 59 -12.960 -21.115 32.914 1.00 60.34 O ATOM 897 CB TYR A 59 -15.222 -21.362 30.392 1.00 42.25 C ATOM 898 CG TYR A 59 -16.654 -21.376 29.909 1.00 43.24 C ATOM 899 CD1 TYR A 59 -17.090 -22.327 28.993 1.00 2.34 C ATOM 900 CD2 TYR A 59 -17.572 -20.438 30.364 1.00 22.52 C ATOM 901 CE1 TYR A 59 -18.398 -22.343 28.547 1.00 33.50 C ATOM 902 CE2 TYR A 59 -18.883 -20.448 29.925 1.00 61.12 C ATOM 903 CZ TYR A 59 -19.290 -21.402 29.016 1.00 4.31 C ATOM 904 OH TYR A 59 -20.594 -21.414 28.576 1.00 24.41 O ATOM 0 H TYR A 59 -15.229 -19.547 32.291 1.00 61.23 H new ATOM 0 HA TYR A 59 -15.689 -22.463 32.178 1.00 30.13 H new ATOM 0 HB2 TYR A 59 -14.772 -20.401 30.142 1.00 42.25 H new ATOM 0 HB3 TYR A 59 -14.659 -22.126 29.856 1.00 42.25 H new ATOM 0 HD1 TYR A 59 -16.394 -23.066 28.624 1.00 2.34 H new ATOM 0 HD2 TYR A 59 -17.256 -19.687 31.073 1.00 22.52 H new ATOM 0 HE1 TYR A 59 -18.720 -23.089 27.835 1.00 33.50 H new ATOM 0 HE2 TYR A 59 -19.584 -19.713 30.292 1.00 61.12 H new ATOM 0 HH TYR A 59 -21.091 -20.686 29.004 1.00 24.41 H new ATOM 914 N LYS A 60 -13.138 -23.046 31.775 1.00 52.23 N ATOM 915 CA LYS A 60 -11.762 -23.453 32.030 1.00 72.32 C ATOM 916 C LYS A 60 -10.780 -22.528 31.317 1.00 51.35 C ATOM 917 O LYS A 60 -11.042 -22.034 30.219 1.00 73.04 O ATOM 918 CB LYS A 60 -11.541 -24.896 31.575 1.00 13.13 C ATOM 919 CG LYS A 60 -11.343 -25.873 32.722 1.00 75.30 C ATOM 920 CD LYS A 60 -10.325 -26.945 32.371 1.00 4.44 C ATOM 921 CE LYS A 60 -10.465 -28.162 33.273 1.00 2.10 C ATOM 922 NZ LYS A 60 -9.880 -29.382 32.651 1.00 3.41 N1+ ATOM 0 H LYS A 60 -13.676 -23.709 31.217 1.00 52.23 H new ATOM 0 HA LYS A 60 -11.584 -23.386 33.103 1.00 72.32 H new ATOM 0 HB2 LYS A 60 -12.397 -25.216 30.980 1.00 13.13 H new ATOM 0 HB3 LYS A 60 -10.668 -24.933 30.923 1.00 13.13 H new ATOM 0 HG2 LYS A 60 -11.012 -25.332 33.609 1.00 75.30 H new ATOM 0 HG3 LYS A 60 -12.295 -26.342 32.971 1.00 75.30 H new ATOM 0 HD2 LYS A 60 -10.454 -27.245 31.331 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -9.319 -26.537 32.462 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -9.972 -27.967 34.225 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -11.519 -28.334 33.490 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -9.995 -30.190 33.296 1.00 3.41 H new ATOM 0 HZ2 LYS A 60 -10.368 -29.583 31.755 1.00 3.41 H new ATOM 0 HZ3 LYS A 60 -8.868 -29.227 32.467 1.00 3.41 H new ATOM 936 N PRO A 61 -9.623 -22.288 31.951 1.00 20.42 N ATOM 937 CA PRO A 61 -8.579 -21.423 31.393 1.00 52.34 C ATOM 938 C PRO A 61 -7.897 -22.046 30.180 1.00 43.11 C ATOM 939 O PRO A 61 -8.173 -23.191 29.820 1.00 71.32 O ATOM 940 CB PRO A 61 -7.586 -21.278 32.548 1.00 12.55 C ATOM 941 CG PRO A 61 -7.786 -22.499 33.378 1.00 64.21 C ATOM 942 CD PRO A 61 -9.246 -22.843 33.262 1.00 62.33 C ATOM 0 HA PRO A 61 -8.982 -20.475 31.037 1.00 52.34 H new ATOM 0 HB2 PRO A 61 -6.561 -21.212 32.183 1.00 12.55 H new ATOM 0 HB3 PRO A 61 -7.778 -20.373 33.124 1.00 12.55 H new ATOM 0 HG2 PRO A 61 -7.162 -23.319 33.023 1.00 64.21 H new ATOM 0 HG3 PRO A 61 -7.510 -22.315 34.416 1.00 64.21 H new ATOM 0 HD2 PRO A 61 -9.410 -23.920 33.305 1.00 62.33 H new ATOM 0 HD3 PRO A 61 -9.829 -22.399 34.069 1.00 62.33 H new ATOM 950 N VAL A 62 -7.006 -21.286 29.553 1.00 41.12 N ATOM 951 CA VAL A 62 -6.283 -21.765 28.381 1.00 22.22 C ATOM 952 C VAL A 62 -4.901 -21.125 28.288 1.00 13.54 C ATOM 953 O VAL A 62 -4.728 -19.947 28.598 1.00 74.11 O ATOM 954 CB VAL A 62 -7.060 -21.471 27.084 1.00 23.31 C ATOM 955 CG1 VAL A 62 -8.466 -22.047 27.161 1.00 24.54 C ATOM 956 CG2 VAL A 62 -7.103 -19.974 26.815 1.00 33.21 C ATOM 0 H VAL A 62 -6.767 -20.336 29.837 1.00 41.12 H new ATOM 0 HA VAL A 62 -6.174 -22.844 28.495 1.00 22.22 H new ATOM 0 HB VAL A 62 -6.541 -21.951 26.254 1.00 23.31 H new ATOM 0 HG11 VAL A 62 -9.000 -21.829 26.236 1.00 24.54 H new ATOM 0 HG12 VAL A 62 -8.410 -23.126 27.302 1.00 24.54 H new ATOM 0 HG13 VAL A 62 -8.997 -21.599 28.000 1.00 24.54 H new ATOM 0 HG21 VAL A 62 -7.656 -19.785 25.895 1.00 33.21 H new ATOM 0 HG22 VAL A 62 -7.597 -19.469 27.645 1.00 33.21 H new ATOM 0 HG23 VAL A 62 -6.087 -19.593 26.712 1.00 33.21 H new ATOM 966 N THR A 63 -3.920 -21.912 27.857 1.00 11.33 N ATOM 967 CA THR A 63 -2.553 -21.424 27.724 1.00 11.40 C ATOM 968 C THR A 63 -2.051 -21.580 26.293 1.00 54.21 C ATOM 969 O THR A 63 -2.150 -22.656 25.703 1.00 35.44 O ATOM 970 CB THR A 63 -1.596 -22.166 28.675 1.00 13.53 C ATOM 971 OG1 THR A 63 -2.345 -22.881 29.664 1.00 22.11 O ATOM 972 CG2 THR A 63 -0.647 -21.192 29.358 1.00 60.11 C ATOM 0 H THR A 63 -4.047 -22.889 27.594 1.00 11.33 H new ATOM 0 HA THR A 63 -2.568 -20.367 27.988 1.00 11.40 H new ATOM 0 HB THR A 63 -1.008 -22.869 28.086 1.00 13.53 H new ATOM 0 HG1 THR A 63 -1.729 -23.352 30.264 1.00 22.11 H new ATOM 0 HG21 THR A 63 0.019 -21.740 30.025 1.00 60.11 H new ATOM 0 HG22 THR A 63 -0.057 -20.670 28.605 1.00 60.11 H new ATOM 0 HG23 THR A 63 -1.222 -20.468 29.935 1.00 60.11 H new ATOM 980 N VAL A 64 -1.510 -20.499 25.740 1.00 54.51 N ATOM 981 CA VAL A 64 -0.990 -20.516 24.377 1.00 53.21 C ATOM 982 C VAL A 64 0.115 -19.482 24.198 1.00 13.32 C ATOM 983 O VAL A 64 0.166 -18.480 24.911 1.00 10.04 O ATOM 984 CB VAL A 64 -2.104 -20.245 23.348 1.00 74.21 C ATOM 985 CG1 VAL A 64 -3.006 -21.461 23.204 1.00 21.00 C ATOM 986 CG2 VAL A 64 -2.909 -19.018 23.747 1.00 14.45 C ATOM 0 H VAL A 64 -1.420 -19.601 26.214 1.00 54.51 H new ATOM 0 HA VAL A 64 -0.582 -21.512 24.206 1.00 53.21 H new ATOM 0 HB VAL A 64 -1.642 -20.050 22.380 1.00 74.21 H new ATOM 0 HG11 VAL A 64 -3.787 -21.250 22.473 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -2.416 -22.314 22.869 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -3.463 -21.691 24.167 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -3.692 -18.841 23.009 1.00 14.45 H new ATOM 0 HG22 VAL A 64 -3.362 -19.182 24.725 1.00 14.45 H new ATOM 0 HG23 VAL A 64 -2.251 -18.150 23.793 1.00 14.45 H new ATOM 996 N LYS A 65 1.002 -19.732 23.240 1.00 23.50 N ATOM 997 CA LYS A 65 2.108 -18.823 22.964 1.00 33.44 C ATOM 998 C LYS A 65 1.695 -17.755 21.955 1.00 51.13 C ATOM 999 O LYS A 65 0.806 -17.975 21.134 1.00 14.12 O ATOM 1000 CB LYS A 65 3.314 -19.600 22.434 1.00 53.40 C ATOM 1001 CG LYS A 65 3.075 -20.248 21.081 1.00 44.43 C ATOM 1002 CD LYS A 65 3.938 -21.484 20.893 1.00 43.14 C ATOM 1003 CE LYS A 65 5.307 -21.128 20.333 1.00 1.42 C ATOM 1004 NZ LYS A 65 5.235 -20.744 18.896 1.00 70.32 N1+ ATOM 0 H LYS A 65 0.976 -20.558 22.641 1.00 23.50 H new ATOM 0 HA LYS A 65 2.382 -18.331 23.897 1.00 33.44 H new ATOM 0 HB2 LYS A 65 4.166 -18.924 22.358 1.00 53.40 H new ATOM 0 HB3 LYS A 65 3.583 -20.372 23.155 1.00 53.40 H new ATOM 0 HG2 LYS A 65 2.024 -20.520 20.988 1.00 44.43 H new ATOM 0 HG3 LYS A 65 3.290 -19.530 20.290 1.00 44.43 H new ATOM 0 HD2 LYS A 65 4.056 -21.995 21.848 1.00 43.14 H new ATOM 0 HD3 LYS A 65 3.438 -22.179 20.219 1.00 43.14 H new ATOM 0 HE2 LYS A 65 5.732 -20.305 20.908 1.00 1.42 H new ATOM 0 HE3 LYS A 65 5.979 -21.978 20.449 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 6.186 -20.789 18.477 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 4.603 -21.399 18.393 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 4.866 -19.775 18.814 1.00 70.32 H new ATOM 1018 N ALA A 66 2.348 -16.599 22.023 1.00 25.33 N ATOM 1019 CA ALA A 66 2.051 -15.500 21.114 1.00 72.41 C ATOM 1020 C ALA A 66 2.182 -15.940 19.660 1.00 62.14 C ATOM 1021 O ALA A 66 3.111 -16.664 19.301 1.00 13.22 O ATOM 1022 CB ALA A 66 2.969 -14.320 21.395 1.00 71.52 C ATOM 0 H ALA A 66 3.086 -16.400 22.698 1.00 25.33 H new ATOM 0 HA ALA A 66 1.019 -15.191 21.281 1.00 72.41 H new ATOM 0 HB1 ALA A 66 2.736 -13.506 20.708 1.00 71.52 H new ATOM 0 HB2 ALA A 66 2.824 -13.982 22.421 1.00 71.52 H new ATOM 0 HB3 ALA A 66 4.006 -14.625 21.257 1.00 71.52 H new ATOM 1028 N ALA A 67 1.247 -15.497 18.826 1.00 60.43 N ATOM 1029 CA ALA A 67 1.259 -15.845 17.410 1.00 33.34 C ATOM 1030 C ALA A 67 0.381 -14.893 16.604 1.00 63.13 C ATOM 1031 O ALA A 67 -0.421 -14.148 17.166 1.00 55.04 O ATOM 1032 CB ALA A 67 0.800 -17.282 17.215 1.00 32.31 C ATOM 0 H ALA A 67 0.472 -14.896 19.106 1.00 60.43 H new ATOM 0 HA ALA A 67 2.282 -15.750 17.047 1.00 33.34 H new ATOM 0 HB1 ALA A 67 0.814 -17.528 16.153 1.00 32.31 H new ATOM 0 HB2 ALA A 67 1.470 -17.954 17.752 1.00 32.31 H new ATOM 0 HB3 ALA A 67 -0.213 -17.396 17.600 1.00 32.31 H new ATOM 1038 N ALA A 68 0.540 -14.924 15.285 1.00 60.23 N ATOM 1039 CA ALA A 68 -0.240 -14.065 14.403 1.00 73.13 C ATOM 1040 C ALA A 68 -1.736 -14.256 14.631 1.00 2.42 C ATOM 1041 O ALA A 68 -2.455 -13.301 14.926 1.00 53.41 O ATOM 1042 CB ALA A 68 0.113 -14.343 12.949 1.00 13.31 C ATOM 0 H ALA A 68 1.201 -15.534 14.804 1.00 60.23 H new ATOM 0 HA ALA A 68 0.007 -13.029 14.635 1.00 73.13 H new ATOM 0 HB1 ALA A 68 -0.477 -13.695 12.301 1.00 13.31 H new ATOM 0 HB2 ALA A 68 1.173 -14.149 12.789 1.00 13.31 H new ATOM 0 HB3 ALA A 68 -0.105 -15.385 12.715 1.00 13.31 H new ATOM 1048 N ILE A 69 -2.198 -15.494 14.491 1.00 72.31 N ATOM 1049 CA ILE A 69 -3.608 -15.808 14.683 1.00 43.13 C ATOM 1050 C ILE A 69 -3.781 -17.031 15.579 1.00 23.51 C ATOM 1051 O ILE A 69 -3.369 -18.136 15.228 1.00 14.30 O ATOM 1052 CB ILE A 69 -4.314 -16.067 13.338 1.00 41.22 C ATOM 1053 CG1 ILE A 69 -4.187 -14.845 12.426 1.00 11.02 C ATOM 1054 CG2 ILE A 69 -5.778 -16.413 13.568 1.00 3.10 C ATOM 1055 CD1 ILE A 69 -4.492 -15.140 10.975 1.00 23.11 C ATOM 0 H ILE A 69 -1.617 -16.295 14.245 1.00 72.31 H new ATOM 0 HA ILE A 69 -4.063 -14.941 15.163 1.00 43.13 H new ATOM 0 HB ILE A 69 -3.832 -16.913 12.848 1.00 41.22 H new ATOM 0 HG12 ILE A 69 -4.862 -14.066 12.780 1.00 11.02 H new ATOM 0 HG13 ILE A 69 -3.175 -14.448 12.503 1.00 11.02 H new ATOM 0 HG21 ILE A 69 -6.264 -16.593 12.609 1.00 3.10 H new ATOM 0 HG22 ILE A 69 -5.848 -17.309 14.184 1.00 3.10 H new ATOM 0 HG23 ILE A 69 -6.272 -15.584 14.075 1.00 3.10 H new ATOM 0 HD11 ILE A 69 -4.382 -14.228 10.387 1.00 23.11 H new ATOM 0 HD12 ILE A 69 -3.800 -15.896 10.604 1.00 23.11 H new ATOM 0 HD13 ILE A 69 -5.514 -15.508 10.886 1.00 23.11 H new ATOM 1067 N VAL A 70 -4.397 -16.824 16.738 1.00 42.53 N ATOM 1068 CA VAL A 70 -4.628 -17.908 17.686 1.00 74.42 C ATOM 1069 C VAL A 70 -6.106 -18.017 18.046 1.00 52.51 C ATOM 1070 O VAL A 70 -6.662 -17.134 18.697 1.00 11.54 O ATOM 1071 CB VAL A 70 -3.810 -17.712 18.975 1.00 5.12 C ATOM 1072 CG1 VAL A 70 -3.891 -18.952 19.853 1.00 41.11 C ATOM 1073 CG2 VAL A 70 -2.364 -17.378 18.642 1.00 74.33 C ATOM 0 H VAL A 70 -4.745 -15.915 17.044 1.00 42.53 H new ATOM 0 HA VAL A 70 -4.306 -18.828 17.198 1.00 74.42 H new ATOM 0 HB VAL A 70 -4.234 -16.875 19.530 1.00 5.12 H new ATOM 0 HG11 VAL A 70 -3.307 -18.795 20.760 1.00 41.11 H new ATOM 0 HG12 VAL A 70 -4.931 -19.142 20.120 1.00 41.11 H new ATOM 0 HG13 VAL A 70 -3.494 -19.809 19.309 1.00 41.11 H new ATOM 0 HG21 VAL A 70 -1.800 -17.243 19.565 1.00 74.33 H new ATOM 0 HG22 VAL A 70 -1.926 -18.193 18.065 1.00 74.33 H new ATOM 0 HG23 VAL A 70 -2.328 -16.459 18.057 1.00 74.33 H new ATOM 1083 N ASN A 71 -6.735 -19.106 17.618 1.00 53.23 N ATOM 1084 CA ASN A 71 -8.148 -19.331 17.895 1.00 11.52 C ATOM 1085 C ASN A 71 -8.327 -20.332 19.033 1.00 55.40 C ATOM 1086 O ASN A 71 -8.065 -21.525 18.872 1.00 31.34 O ATOM 1087 CB ASN A 71 -8.862 -19.836 16.640 1.00 53.52 C ATOM 1088 CG ASN A 71 -9.130 -18.726 15.641 1.00 74.11 C ATOM 1089 OD1 ASN A 71 -9.731 -17.640 16.111 1.00 10.31 O flip ATOM 1090 ND2 ASN A 71 -8.800 -18.845 14.461 1.00 50.40 N flip ATOM 0 H ASN A 71 -6.288 -19.847 17.078 1.00 53.23 H new ATOM 0 HA ASN A 71 -8.588 -18.381 18.198 1.00 11.52 H new ATOM 0 HB2 ASN A 71 -8.256 -20.609 16.167 1.00 53.52 H new ATOM 0 HB3 ASN A 71 -9.806 -20.301 16.925 1.00 53.52 H new ATOM 0 HD21 ASN A 71 -8.340 -19.698 14.144 1.00 50.40 H new ATOM 0 HD22 ASN A 71 -8.987 -18.090 13.801 1.00 50.40 H new ATOM 1097 N VAL A 72 -8.776 -19.839 20.183 1.00 51.53 N ATOM 1098 CA VAL A 72 -8.992 -20.690 21.347 1.00 24.20 C ATOM 1099 C VAL A 72 -10.464 -20.718 21.742 1.00 31.43 C ATOM 1100 O VAL A 72 -11.181 -19.730 21.581 1.00 20.30 O ATOM 1101 CB VAL A 72 -8.157 -20.215 22.552 1.00 52.34 C ATOM 1102 CG1 VAL A 72 -8.248 -21.217 23.693 1.00 61.34 C ATOM 1103 CG2 VAL A 72 -6.709 -19.992 22.141 1.00 24.11 C ATOM 0 H VAL A 72 -8.997 -18.855 20.333 1.00 51.53 H new ATOM 0 HA VAL A 72 -8.675 -21.695 21.068 1.00 24.20 H new ATOM 0 HB VAL A 72 -8.562 -19.265 22.902 1.00 52.34 H new ATOM 0 HG11 VAL A 72 -7.652 -20.865 24.535 1.00 61.34 H new ATOM 0 HG12 VAL A 72 -9.288 -21.322 24.003 1.00 61.34 H new ATOM 0 HG13 VAL A 72 -7.869 -22.183 23.360 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -6.133 -19.657 23.004 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -6.290 -20.925 21.765 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -6.665 -19.234 21.359 1.00 24.11 H new ATOM 1113 N LEU A 73 -10.909 -21.857 22.262 1.00 10.54 N ATOM 1114 CA LEU A 73 -12.298 -22.014 22.681 1.00 72.02 C ATOM 1115 C LEU A 73 -12.389 -22.239 24.187 1.00 3.23 C ATOM 1116 O LEU A 73 -11.518 -22.872 24.785 1.00 44.43 O ATOM 1117 CB LEU A 73 -12.946 -23.185 21.939 1.00 3.23 C ATOM 1118 CG LEU A 73 -12.074 -24.428 21.755 1.00 71.14 C ATOM 1119 CD1 LEU A 73 -12.861 -25.686 22.093 1.00 5.30 C ATOM 1120 CD2 LEU A 73 -11.538 -24.498 20.333 1.00 64.32 C ATOM 0 H LEU A 73 -10.329 -22.684 22.403 1.00 10.54 H new ATOM 0 HA LEU A 73 -12.832 -21.096 22.436 1.00 72.02 H new ATOM 0 HB2 LEU A 73 -13.849 -23.475 22.477 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -13.260 -22.837 20.955 1.00 3.23 H new ATOM 0 HG LEU A 73 -11.227 -24.359 22.438 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -12.225 -26.561 21.956 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -13.195 -25.639 23.129 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -13.727 -25.761 21.435 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -10.920 -25.389 20.221 1.00 64.32 H new ATOM 0 HD22 LEU A 73 -12.371 -24.544 19.632 1.00 64.32 H new ATOM 0 HD23 LEU A 73 -10.938 -23.612 20.126 1.00 64.32 H new ATOM 1132 N LEU A 74 -13.449 -21.719 24.795 1.00 44.52 N ATOM 1133 CA LEU A 74 -13.657 -21.864 26.231 1.00 22.25 C ATOM 1134 C LEU A 74 -14.532 -23.076 26.535 1.00 10.24 C ATOM 1135 O LEU A 74 -15.669 -23.164 26.070 1.00 22.34 O ATOM 1136 CB LEU A 74 -14.299 -20.600 26.805 1.00 64.12 C ATOM 1137 CG LEU A 74 -13.509 -19.884 27.901 1.00 31.24 C ATOM 1138 CD1 LEU A 74 -12.111 -19.537 27.412 1.00 65.54 C ATOM 1139 CD2 LEU A 74 -14.244 -18.632 28.356 1.00 34.41 C ATOM 0 H LEU A 74 -14.179 -21.192 24.315 1.00 44.52 H new ATOM 0 HA LEU A 74 -12.685 -22.014 26.700 1.00 22.25 H new ATOM 0 HB2 LEU A 74 -14.466 -19.898 25.988 1.00 64.12 H new ATOM 0 HB3 LEU A 74 -15.279 -20.863 27.204 1.00 64.12 H new ATOM 0 HG LEU A 74 -13.416 -20.556 28.754 1.00 31.24 H new ATOM 0 HD11 LEU A 74 -11.564 -19.028 28.206 1.00 65.54 H new ATOM 0 HD12 LEU A 74 -11.585 -20.451 27.137 1.00 65.54 H new ATOM 0 HD13 LEU A 74 -12.181 -18.883 26.543 1.00 65.54 H new ATOM 0 HD21 LEU A 74 -13.668 -18.135 29.136 1.00 34.41 H new ATOM 0 HD22 LEU A 74 -14.369 -17.956 27.510 1.00 34.41 H new ATOM 0 HD23 LEU A 74 -15.223 -18.907 28.748 1.00 34.41 H new ATOM 1151 N GLU A 75 -13.997 -24.006 27.319 1.00 25.11 N ATOM 1152 CA GLU A 75 -14.731 -25.211 27.687 1.00 73.42 C ATOM 1153 C GLU A 75 -15.174 -25.155 29.146 1.00 44.11 C ATOM 1154 O GLU A 75 -14.411 -24.750 30.020 1.00 4.12 O ATOM 1155 CB GLU A 75 -13.868 -26.452 27.451 1.00 3.14 C ATOM 1156 CG GLU A 75 -12.443 -26.307 27.956 1.00 21.34 C ATOM 1157 CD GLU A 75 -11.969 -27.526 28.724 1.00 33.45 C ATOM 1158 OE1 GLU A 75 -12.763 -28.070 29.520 1.00 53.52 O ATOM 1159 OE2 GLU A 75 -10.806 -27.936 28.528 1.00 2.54 O1- ATOM 0 H GLU A 75 -13.057 -23.948 27.712 1.00 25.11 H new ATOM 0 HA GLU A 75 -15.620 -25.270 27.059 1.00 73.42 H new ATOM 0 HB2 GLU A 75 -14.333 -27.307 27.942 1.00 3.14 H new ATOM 0 HB3 GLU A 75 -13.846 -26.671 26.383 1.00 3.14 H new ATOM 0 HG2 GLU A 75 -11.778 -26.134 27.110 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -12.377 -25.429 28.599 1.00 21.34 H new ATOM 1166 N GLU A 76 -16.413 -25.565 29.398 1.00 14.42 N ATOM 1167 CA GLU A 76 -16.959 -25.561 30.750 1.00 55.40 C ATOM 1168 C GLU A 76 -16.015 -26.267 31.719 1.00 52.44 C ATOM 1169 O GLU A 76 -15.459 -27.320 31.406 1.00 74.35 O ATOM 1170 CB GLU A 76 -18.330 -26.237 30.773 1.00 21.40 C ATOM 1171 CG GLU A 76 -18.412 -27.480 29.902 1.00 75.12 C ATOM 1172 CD GLU A 76 -19.543 -28.404 30.308 1.00 53.13 C ATOM 1173 OE1 GLU A 76 -20.573 -28.427 29.603 1.00 51.43 O ATOM 1174 OE2 GLU A 76 -19.396 -29.105 31.331 1.00 33.35 O1- ATOM 0 H GLU A 76 -17.057 -25.904 28.684 1.00 14.42 H new ATOM 0 HA GLU A 76 -17.069 -24.524 31.067 1.00 55.40 H new ATOM 0 HB2 GLU A 76 -18.575 -26.507 31.800 1.00 21.40 H new ATOM 0 HB3 GLU A 76 -19.084 -25.522 30.443 1.00 21.40 H new ATOM 0 HG2 GLU A 76 -18.547 -27.182 28.862 1.00 75.12 H new ATOM 0 HG3 GLU A 76 -17.468 -28.021 29.958 1.00 75.12 H new ATOM 1181 N ASP A 77 -15.838 -25.679 32.898 1.00 24.14 N ATOM 1182 CA ASP A 77 -14.962 -26.251 33.913 1.00 14.13 C ATOM 1183 C ASP A 77 -15.775 -26.882 35.040 1.00 2.45 C ATOM 1184 O ASP A 77 -15.382 -27.899 35.612 1.00 35.31 O ATOM 1185 CB ASP A 77 -14.032 -25.177 34.479 1.00 0.41 C ATOM 1186 CG ASP A 77 -12.994 -25.749 35.424 1.00 44.35 C ATOM 1187 OD1 ASP A 77 -12.579 -26.909 35.219 1.00 4.44 O ATOM 1188 OD2 ASP A 77 -12.596 -25.037 36.371 1.00 33.42 O1- ATOM 0 H ASP A 77 -16.290 -24.807 33.173 1.00 24.14 H new ATOM 0 HA ASP A 77 -14.362 -27.029 33.442 1.00 14.13 H new ATOM 0 HB2 ASP A 77 -13.529 -24.667 33.658 1.00 0.41 H new ATOM 0 HB3 ASP A 77 -14.624 -24.428 35.005 1.00 0.41 H new ATOM 1193 N THR A 78 -16.913 -26.270 35.356 1.00 73.11 N ATOM 1194 CA THR A 78 -17.781 -26.769 36.415 1.00 32.45 C ATOM 1195 C THR A 78 -18.178 -28.218 36.162 1.00 35.21 C ATOM 1196 O THR A 78 -18.394 -28.621 35.020 1.00 74.43 O ATOM 1197 CB THR A 78 -19.055 -25.914 36.547 1.00 13.32 C ATOM 1198 OG1 THR A 78 -19.903 -26.453 37.567 1.00 10.33 O ATOM 1199 CG2 THR A 78 -19.810 -25.862 35.227 1.00 23.12 C ATOM 0 H THR A 78 -17.254 -25.428 34.893 1.00 73.11 H new ATOM 0 HA THR A 78 -17.214 -26.707 37.344 1.00 32.45 H new ATOM 0 HB THR A 78 -18.760 -24.901 36.819 1.00 13.32 H new ATOM 0 HG1 THR A 78 -19.353 -26.803 38.299 1.00 10.33 H new ATOM 0 HG21 THR A 78 -20.706 -25.253 35.344 1.00 23.12 H new ATOM 0 HG22 THR A 78 -19.171 -25.424 34.460 1.00 23.12 H new ATOM 0 HG23 THR A 78 -20.094 -26.872 34.930 1.00 23.12 H new ATOM 1207 N GLN A 79 -18.274 -28.996 37.235 1.00 71.11 N ATOM 1208 CA GLN A 79 -18.646 -30.402 37.128 1.00 23.05 C ATOM 1209 C GLN A 79 -19.840 -30.719 38.023 1.00 15.21 C ATOM 1210 O GLN A 79 -19.749 -31.552 38.925 1.00 62.32 O ATOM 1211 CB GLN A 79 -17.462 -31.295 37.503 1.00 33.22 C ATOM 1212 CG GLN A 79 -16.359 -31.313 36.458 1.00 21.24 C ATOM 1213 CD GLN A 79 -15.163 -32.141 36.885 1.00 23.50 C ATOM 1214 OE1 GLN A 79 -15.312 -33.260 37.379 1.00 74.23 O ATOM 1215 NE2 GLN A 79 -13.967 -31.595 36.697 1.00 4.20 N ATOM 0 H GLN A 79 -18.099 -28.677 38.188 1.00 71.11 H new ATOM 0 HA GLN A 79 -18.928 -30.599 36.094 1.00 23.05 H new ATOM 0 HB2 GLN A 79 -17.047 -30.954 38.452 1.00 33.22 H new ATOM 0 HB3 GLN A 79 -17.820 -32.313 37.659 1.00 33.22 H new ATOM 0 HG2 GLN A 79 -16.756 -31.710 35.524 1.00 21.24 H new ATOM 0 HG3 GLN A 79 -16.036 -30.291 36.259 1.00 21.24 H new ATOM 0 HE21 GLN A 79 -13.890 -30.665 36.284 1.00 4.20 H new ATOM 0 HE22 GLN A 79 -13.126 -32.105 36.965 1.00 4.20 H new ATOM 1224 N MET A 80 -20.958 -30.048 37.768 1.00 10.55 N ATOM 1225 CA MET A 80 -22.171 -30.259 38.551 1.00 33.12 C ATOM 1226 C MET A 80 -23.405 -29.819 37.770 1.00 54.10 C ATOM 1227 O MET A 80 -23.627 -28.627 37.558 1.00 32.25 O ATOM 1228 CB MET A 80 -22.090 -29.493 39.873 1.00 43.24 C ATOM 1229 CG MET A 80 -21.599 -28.063 39.717 1.00 33.52 C ATOM 1230 SD MET A 80 -19.938 -27.824 40.375 1.00 41.55 S ATOM 1231 CE MET A 80 -20.307 -27.311 42.051 1.00 74.23 C ATOM 0 H MET A 80 -21.050 -29.354 37.026 1.00 10.55 H new ATOM 0 HA MET A 80 -22.257 -31.325 38.762 1.00 33.12 H new ATOM 0 HB2 MET A 80 -23.076 -29.481 40.338 1.00 43.24 H new ATOM 0 HB3 MET A 80 -21.424 -30.025 40.552 1.00 43.24 H new ATOM 0 HG2 MET A 80 -21.610 -27.792 38.661 1.00 33.52 H new ATOM 0 HG3 MET A 80 -22.288 -27.389 40.226 1.00 33.52 H new ATOM 0 HE1 MET A 80 -19.377 -27.125 42.588 1.00 74.23 H new ATOM 0 HE2 MET A 80 -20.902 -26.398 42.029 1.00 74.23 H new ATOM 0 HE3 MET A 80 -20.867 -28.097 42.557 1.00 74.23 H new ATOM 1241 N VAL A 81 -24.207 -30.791 37.342 1.00 0.53 N ATOM 1242 CA VAL A 81 -25.420 -30.503 36.585 1.00 1.25 C ATOM 1243 C VAL A 81 -26.540 -31.467 36.957 1.00 62.43 C ATOM 1244 O VAL A 81 -26.403 -32.682 36.811 1.00 3.11 O ATOM 1245 CB VAL A 81 -25.167 -30.587 35.069 1.00 44.13 C ATOM 1246 CG1 VAL A 81 -26.425 -30.220 34.296 1.00 72.15 C ATOM 1247 CG2 VAL A 81 -24.006 -29.689 34.672 1.00 54.24 C ATOM 0 H VAL A 81 -24.038 -31.783 37.507 1.00 0.53 H new ATOM 0 HA VAL A 81 -25.720 -29.487 36.840 1.00 1.25 H new ATOM 0 HB VAL A 81 -24.903 -31.615 34.819 1.00 44.13 H new ATOM 0 HG11 VAL A 81 -26.227 -30.285 33.226 1.00 72.15 H new ATOM 0 HG12 VAL A 81 -27.228 -30.909 34.559 1.00 72.15 H new ATOM 0 HG13 VAL A 81 -26.723 -29.202 34.548 1.00 72.15 H new ATOM 0 HG21 VAL A 81 -23.841 -29.761 33.597 1.00 54.24 H new ATOM 0 HG22 VAL A 81 -24.238 -28.657 34.935 1.00 54.24 H new ATOM 0 HG23 VAL A 81 -23.105 -30.004 35.199 1.00 54.24 H new ATOM 1257 N ASP A 82 -27.651 -30.917 37.437 1.00 21.33 N ATOM 1258 CA ASP A 82 -28.798 -31.729 37.829 1.00 52.35 C ATOM 1259 C ASP A 82 -29.477 -32.335 36.605 1.00 42.13 C ATOM 1260 O ASP A 82 -29.752 -31.639 35.628 1.00 40.40 O ATOM 1261 CB ASP A 82 -29.799 -30.885 38.619 1.00 62.52 C ATOM 1262 CG ASP A 82 -30.697 -31.729 39.503 1.00 35.32 C ATOM 1263 OD1 ASP A 82 -31.873 -31.352 39.685 1.00 1.15 O ATOM 1264 OD2 ASP A 82 -30.222 -32.765 40.014 1.00 1.31 O1- ATOM 0 H ASP A 82 -27.781 -29.913 37.564 1.00 21.33 H new ATOM 0 HA ASP A 82 -28.440 -32.541 38.462 1.00 52.35 H new ATOM 0 HB2 ASP A 82 -29.258 -30.167 39.235 1.00 62.52 H new ATOM 0 HB3 ASP A 82 -30.413 -30.311 37.925 1.00 62.52 H new ATOM 1269 N GLU A 83 -29.744 -33.636 36.667 1.00 63.12 N ATOM 1270 CA GLU A 83 -30.389 -34.336 35.563 1.00 23.02 C ATOM 1271 C GLU A 83 -31.653 -35.049 36.035 1.00 10.51 C ATOM 1272 O GLU A 83 -31.612 -36.214 36.431 1.00 50.40 O ATOM 1273 CB GLU A 83 -29.425 -35.345 34.936 1.00 13.42 C ATOM 1274 CG GLU A 83 -28.133 -34.723 34.436 1.00 3.23 C ATOM 1275 CD GLU A 83 -27.248 -35.718 33.709 1.00 12.23 C ATOM 1276 OE1 GLU A 83 -26.421 -35.282 32.882 1.00 44.23 O ATOM 1277 OE2 GLU A 83 -27.385 -36.932 33.967 1.00 64.43 O1- ATOM 0 H GLU A 83 -29.524 -34.226 37.470 1.00 63.12 H new ATOM 0 HA GLU A 83 -30.668 -33.597 34.812 1.00 23.02 H new ATOM 0 HB2 GLU A 83 -29.187 -36.113 35.672 1.00 13.42 H new ATOM 0 HB3 GLU A 83 -29.924 -35.843 34.105 1.00 13.42 H new ATOM 0 HG2 GLU A 83 -28.368 -33.895 33.767 1.00 3.23 H new ATOM 0 HG3 GLU A 83 -27.585 -34.305 35.280 1.00 3.23 H new ATOM 1284 N VAL A 84 -32.777 -34.341 35.990 1.00 23.40 N ATOM 1285 CA VAL A 84 -34.054 -34.904 36.412 1.00 2.42 C ATOM 1286 C VAL A 84 -34.817 -35.484 35.226 1.00 11.52 C ATOM 1287 O VAL A 84 -35.014 -34.814 34.213 1.00 34.13 O ATOM 1288 CB VAL A 84 -34.932 -33.847 37.107 1.00 24.22 C ATOM 1289 CG1 VAL A 84 -36.248 -34.459 37.560 1.00 14.11 C ATOM 1290 CG2 VAL A 84 -34.190 -33.227 38.282 1.00 53.25 C ATOM 0 H VAL A 84 -32.829 -33.376 35.665 1.00 23.40 H new ATOM 0 HA VAL A 84 -33.830 -35.701 37.121 1.00 2.42 H new ATOM 0 HB VAL A 84 -35.155 -33.057 36.390 1.00 24.22 H new ATOM 0 HG11 VAL A 84 -36.855 -33.697 38.049 1.00 14.11 H new ATOM 0 HG12 VAL A 84 -36.784 -34.850 36.695 1.00 14.11 H new ATOM 0 HG13 VAL A 84 -36.050 -35.270 38.261 1.00 14.11 H new ATOM 0 HG21 VAL A 84 -34.825 -32.482 38.761 1.00 53.25 H new ATOM 0 HG22 VAL A 84 -33.935 -34.004 39.002 1.00 53.25 H new ATOM 0 HG23 VAL A 84 -33.277 -32.750 37.925 1.00 53.25 H new ATOM 1300 N VAL A 85 -35.247 -36.734 35.361 1.00 23.03 N ATOM 1301 CA VAL A 85 -35.991 -37.405 34.302 1.00 53.43 C ATOM 1302 C VAL A 85 -37.269 -36.647 33.963 1.00 23.44 C ATOM 1303 O VAL A 85 -37.665 -35.725 34.676 1.00 52.44 O ATOM 1304 CB VAL A 85 -36.353 -38.849 34.698 1.00 31.15 C ATOM 1305 CG1 VAL A 85 -35.126 -39.746 34.632 1.00 62.05 C ATOM 1306 CG2 VAL A 85 -36.973 -38.880 36.088 1.00 13.25 C ATOM 0 H VAL A 85 -35.093 -37.303 36.194 1.00 23.03 H new ATOM 0 HA VAL A 85 -35.343 -37.428 33.426 1.00 53.43 H new ATOM 0 HB VAL A 85 -37.088 -39.228 33.988 1.00 31.15 H new ATOM 0 HG11 VAL A 85 -35.402 -40.762 34.915 1.00 62.05 H new ATOM 0 HG12 VAL A 85 -34.730 -39.747 33.616 1.00 62.05 H new ATOM 0 HG13 VAL A 85 -34.365 -39.373 35.317 1.00 62.05 H new ATOM 0 HG21 VAL A 85 -37.223 -39.908 36.352 1.00 13.25 H new ATOM 0 HG22 VAL A 85 -36.262 -38.482 36.812 1.00 13.25 H new ATOM 0 HG23 VAL A 85 -37.878 -38.273 36.096 1.00 13.25 H new ATOM 1316 N VAL A 86 -37.913 -37.041 32.869 1.00 13.51 N ATOM 1317 CA VAL A 86 -39.149 -36.399 32.436 1.00 11.22 C ATOM 1318 C VAL A 86 -39.744 -37.113 31.227 1.00 63.12 C ATOM 1319 O VAL A 86 -39.019 -37.570 30.342 1.00 25.30 O ATOM 1320 CB VAL A 86 -38.918 -34.918 32.081 1.00 50.12 C ATOM 1321 CG1 VAL A 86 -38.019 -34.794 30.861 1.00 3.22 C ATOM 1322 CG2 VAL A 86 -40.245 -34.213 31.850 1.00 73.01 C ATOM 0 H VAL A 86 -37.599 -37.802 32.266 1.00 13.51 H new ATOM 0 HA VAL A 86 -39.847 -36.460 33.271 1.00 11.22 H new ATOM 0 HB VAL A 86 -38.418 -34.435 32.920 1.00 50.12 H new ATOM 0 HG11 VAL A 86 -37.868 -33.740 30.626 1.00 3.22 H new ATOM 0 HG12 VAL A 86 -37.056 -35.261 31.069 1.00 3.22 H new ATOM 0 HG13 VAL A 86 -38.487 -35.291 30.012 1.00 3.22 H new ATOM 0 HG21 VAL A 86 -40.063 -33.168 31.600 1.00 73.01 H new ATOM 0 HG22 VAL A 86 -40.775 -34.695 31.029 1.00 73.01 H new ATOM 0 HG23 VAL A 86 -40.850 -34.270 32.755 1.00 73.01 H new ATOM 1332 N THR A 87 -41.069 -37.206 31.195 1.00 32.30 N ATOM 1333 CA THR A 87 -41.763 -37.864 30.094 1.00 63.34 C ATOM 1334 C THR A 87 -42.645 -36.881 29.334 1.00 32.24 C ATOM 1335 O THR A 87 -42.618 -36.828 28.105 1.00 11.13 O ATOM 1336 CB THR A 87 -42.631 -39.034 30.597 1.00 65.24 C ATOM 1337 OG1 THR A 87 -42.354 -39.291 31.978 1.00 1.23 O ATOM 1338 CG2 THR A 87 -42.371 -40.290 29.779 1.00 64.13 C ATOM 0 H THR A 87 -41.684 -36.834 31.919 1.00 32.30 H new ATOM 0 HA THR A 87 -40.996 -38.252 29.423 1.00 63.34 H new ATOM 0 HB THR A 87 -43.679 -38.756 30.484 1.00 65.24 H new ATOM 0 HG1 THR A 87 -42.911 -40.035 32.290 1.00 1.23 H new ATOM 0 HG21 THR A 87 -42.994 -41.103 30.152 1.00 64.13 H new ATOM 0 HG22 THR A 87 -42.611 -40.099 28.733 1.00 64.13 H new ATOM 0 HG23 THR A 87 -41.321 -40.569 29.865 1.00 64.13 H new ATOM 1346 N GLY A 88 -43.430 -36.102 30.074 1.00 61.42 N ATOM 1347 CA GLY A 88 -44.310 -35.130 29.452 1.00 23.00 C ATOM 1348 C GLY A 88 -45.042 -34.278 30.468 1.00 61.32 C ATOM 1349 O GLY A 88 -44.818 -34.403 31.672 1.00 11.31 O ATOM 0 H GLY A 88 -43.472 -36.127 31.093 1.00 61.42 H new ATOM 0 HA2 GLY A 88 -43.727 -34.485 28.794 1.00 23.00 H new ATOM 0 HA3 GLY A 88 -45.036 -35.650 28.827 1.00 23.00 H new ATOM 1353 N TYR A 89 -45.920 -33.406 29.984 1.00 75.33 N ATOM 1354 CA TYR A 89 -46.685 -32.525 30.858 1.00 31.00 C ATOM 1355 C TYR A 89 -47.946 -32.025 30.160 1.00 2.11 C ATOM 1356 O TYR A 89 -47.959 -31.819 28.946 1.00 10.14 O ATOM 1357 CB TYR A 89 -45.828 -31.338 31.298 1.00 63.35 C ATOM 1358 CG TYR A 89 -46.453 -30.515 32.402 1.00 22.31 C ATOM 1359 CD1 TYR A 89 -47.389 -29.529 32.115 1.00 11.32 C ATOM 1360 CD2 TYR A 89 -46.108 -30.723 33.732 1.00 75.11 C ATOM 1361 CE1 TYR A 89 -47.962 -28.774 33.120 1.00 30.34 C ATOM 1362 CE2 TYR A 89 -46.678 -29.974 34.744 1.00 50.14 C ATOM 1363 CZ TYR A 89 -47.604 -29.001 34.433 1.00 73.01 C ATOM 1364 OH TYR A 89 -48.173 -28.252 35.437 1.00 13.23 O ATOM 0 H TYR A 89 -46.119 -33.291 28.990 1.00 75.33 H new ATOM 0 HA TYR A 89 -46.981 -33.097 31.738 1.00 31.00 H new ATOM 0 HB2 TYR A 89 -44.859 -31.706 31.635 1.00 63.35 H new ATOM 0 HB3 TYR A 89 -45.643 -30.695 30.437 1.00 63.35 H new ATOM 0 HD1 TYR A 89 -47.673 -29.350 31.089 1.00 11.32 H new ATOM 0 HD2 TYR A 89 -45.382 -31.483 33.979 1.00 75.11 H new ATOM 0 HE1 TYR A 89 -48.686 -28.010 32.879 1.00 30.34 H new ATOM 0 HE2 TYR A 89 -46.400 -30.150 35.773 1.00 50.14 H new ATOM 0 HH TYR A 89 -47.814 -28.538 36.303 1.00 13.23 H new ATOM 1374 N THR A 90 -49.007 -31.832 30.937 1.00 63.13 N ATOM 1375 CA THR A 90 -50.274 -31.356 30.395 1.00 73.03 C ATOM 1376 C THR A 90 -50.262 -29.842 30.217 1.00 22.02 C ATOM 1377 O THR A 90 -50.374 -29.092 31.186 1.00 3.25 O ATOM 1378 CB THR A 90 -51.456 -31.745 31.304 1.00 65.23 C ATOM 1379 OG1 THR A 90 -51.250 -31.228 32.622 1.00 50.24 O ATOM 1380 CG2 THR A 90 -51.615 -33.257 31.365 1.00 14.03 C ATOM 0 H THR A 90 -49.014 -31.998 31.943 1.00 63.13 H new ATOM 0 HA THR A 90 -50.400 -31.833 29.423 1.00 73.03 H new ATOM 0 HB THR A 90 -52.366 -31.316 30.885 1.00 65.23 H new ATOM 0 HG1 THR A 90 -50.879 -30.323 32.564 1.00 50.24 H new ATOM 0 HG21 THR A 90 -52.455 -33.509 32.012 1.00 14.03 H new ATOM 0 HG22 THR A 90 -51.800 -33.644 30.363 1.00 14.03 H new ATOM 0 HG23 THR A 90 -50.704 -33.703 31.764 1.00 14.03 H new TER 1388 THR A 90