USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 607 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 32 ASN : amide:sc= -1.17 K(o=-1.6,f=-5.7!) USER MOD Set 1.2: A 69 MET CE :methyl -131:sc= -0.451 (180deg=-1.14) USER MOD Set 2.1: A 22 ASN : amide:sc= -1.66 K(o=-1.6,f=-3!) USER MOD Set 2.2: A 24 SER OG : rot 180:sc= 0.0989 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -110:sc= 0.513 (180deg=-0.0814) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -90:sc= -1.21 USER MOD Single : A 9 THR OG1 : rot -160:sc= -0.0297 USER MOD Single : A 11 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.053) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -2.1 K(o=-2.1,f=-4.9!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.202 K(o=-0.2,f=-1.5!) USER MOD Single : A 37 LYS NZ :NH3+ 167:sc= 0.338 (180deg=0.0986) USER MOD Single : A 38 SER OG : rot 38:sc= 1.13! USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 49 GLN : amide:sc= -0.383 K(o=-0.38,f=-0.97) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.517 K(o=-0.52,f=-1.8!) USER MOD Single : A 70 ASN : amide:sc= -0.0838 X(o=-0.084,f=-0.084) USER MOD Single : A 73 SER OG : rot -38:sc= -0.0016 USER MOD Single : A 77 ASN : amide:sc=-0.000951 X(o=-0.00095,f=-0.083) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.352 0.746 2.160 1.00 0.12 N ATOM 2 CA MET A 1 2.938 0.585 1.840 1.00 45.44 C ATOM 3 C MET A 1 2.715 -0.649 0.972 1.00 53.02 C ATOM 4 O MET A 1 2.030 -1.589 1.376 1.00 60.01 O ATOM 5 CB MET A 1 2.412 1.830 1.122 1.00 34.24 C ATOM 6 CG MET A 1 0.991 2.202 1.516 1.00 42.14 C ATOM 7 SD MET A 1 0.712 3.983 1.504 1.00 13.42 S ATOM 8 CE MET A 1 0.344 4.280 3.232 1.00 23.50 C ATOM 0 H1 MET A 1 4.480 1.592 2.751 1.00 0.12 H new ATOM 0 H2 MET A 1 4.689 -0.092 2.676 1.00 0.12 H new ATOM 0 H3 MET A 1 4.897 0.853 1.281 1.00 0.12 H new ATOM 0 HA MET A 1 2.391 0.454 2.774 1.00 45.44 H new ATOM 0 HB2 MET A 1 3.072 2.670 1.337 1.00 34.24 H new ATOM 0 HB3 MET A 1 2.450 1.662 0.046 1.00 34.24 H new ATOM 0 HG2 MET A 1 0.291 1.724 0.831 1.00 42.14 H new ATOM 0 HG3 MET A 1 0.780 1.812 2.512 1.00 42.14 H new ATOM 0 HE1 MET A 1 0.148 5.341 3.385 1.00 23.50 H new ATOM 0 HE2 MET A 1 -0.535 3.703 3.521 1.00 23.50 H new ATOM 0 HE3 MET A 1 1.194 3.976 3.843 1.00 23.50 H new ATOM 18 N LYS A 2 3.296 -0.640 -0.223 1.00 10.00 N ATOM 19 CA LYS A 2 3.161 -1.759 -1.148 1.00 44.33 C ATOM 20 C LYS A 2 3.921 -2.980 -0.640 1.00 3.30 C ATOM 21 O LYS A 2 5.020 -2.858 -0.097 1.00 15.01 O ATOM 22 CB LYS A 2 3.676 -1.365 -2.535 1.00 21.32 C ATOM 23 CG LYS A 2 3.728 -2.524 -3.516 1.00 2.14 C ATOM 24 CD LYS A 2 2.338 -3.051 -3.830 1.00 42.13 C ATOM 25 CE LYS A 2 2.381 -4.504 -4.276 1.00 61.44 C ATOM 26 NZ LYS A 2 1.075 -5.188 -4.067 1.00 13.32 N ATOM 0 H LYS A 2 3.865 0.130 -0.574 1.00 10.00 H new ATOM 0 HA LYS A 2 2.104 -2.015 -1.218 1.00 44.33 H new ATOM 0 HB2 LYS A 2 3.035 -0.583 -2.943 1.00 21.32 H new ATOM 0 HB3 LYS A 2 4.674 -0.939 -2.435 1.00 21.32 H new ATOM 0 HG2 LYS A 2 4.212 -2.201 -4.437 1.00 2.14 H new ATOM 0 HG3 LYS A 2 4.337 -3.327 -3.100 1.00 2.14 H new ATOM 0 HD2 LYS A 2 1.705 -2.959 -2.948 1.00 42.13 H new ATOM 0 HD3 LYS A 2 1.885 -2.442 -4.613 1.00 42.13 H new ATOM 0 HE2 LYS A 2 2.651 -4.552 -5.331 1.00 61.44 H new ATOM 0 HE3 LYS A 2 3.159 -5.031 -3.723 1.00 61.44 H new ATOM 0 HZ1 LYS A 2 1.166 -5.882 -3.298 1.00 13.32 H new ATOM 0 HZ2 LYS A 2 0.351 -4.485 -3.815 1.00 13.32 H new ATOM 0 HZ3 LYS A 2 0.794 -5.675 -4.942 1.00 13.32 H new ATOM 40 N PHE A 3 3.331 -4.156 -0.821 1.00 35.21 N ATOM 41 CA PHE A 3 3.952 -5.400 -0.381 1.00 5.31 C ATOM 42 C PHE A 3 3.585 -6.551 -1.313 1.00 1.14 C ATOM 43 O PHE A 3 2.570 -6.501 -2.008 1.00 10.13 O ATOM 44 CB PHE A 3 3.524 -5.730 1.050 1.00 21.43 C ATOM 45 CG PHE A 3 2.048 -5.580 1.284 1.00 30.40 C ATOM 46 CD1 PHE A 3 1.142 -6.388 0.616 1.00 71.03 C ATOM 47 CD2 PHE A 3 1.567 -4.632 2.172 1.00 34.43 C ATOM 48 CE1 PHE A 3 -0.217 -6.251 0.828 1.00 21.54 C ATOM 49 CE2 PHE A 3 0.209 -4.492 2.389 1.00 12.55 C ATOM 50 CZ PHE A 3 -0.684 -5.303 1.717 1.00 0.02 C ATOM 0 H PHE A 3 2.423 -4.274 -1.270 1.00 35.21 H new ATOM 0 HA PHE A 3 5.033 -5.266 -0.407 1.00 5.31 H new ATOM 0 HB2 PHE A 3 3.818 -6.754 1.282 1.00 21.43 H new ATOM 0 HB3 PHE A 3 4.061 -5.080 1.740 1.00 21.43 H new ATOM 0 HD1 PHE A 3 1.502 -7.133 -0.078 1.00 71.03 H new ATOM 0 HD2 PHE A 3 2.261 -3.995 2.701 1.00 34.43 H new ATOM 0 HE1 PHE A 3 -0.913 -6.885 0.299 1.00 21.54 H new ATOM 0 HE2 PHE A 3 -0.153 -3.749 3.084 1.00 12.55 H new ATOM 0 HZ PHE A 3 -1.745 -5.196 1.886 1.00 0.02 H new ATOM 60 N ILE A 4 4.418 -7.586 -1.321 1.00 62.01 N ATOM 61 CA ILE A 4 4.181 -8.750 -2.166 1.00 43.33 C ATOM 62 C ILE A 4 4.093 -10.025 -1.334 1.00 54.53 C ATOM 63 O ILE A 4 4.620 -10.093 -0.224 1.00 44.20 O ATOM 64 CB ILE A 4 5.291 -8.915 -3.221 1.00 43.31 C ATOM 65 CG1 ILE A 4 5.503 -7.603 -3.980 1.00 1.13 C ATOM 66 CG2 ILE A 4 4.944 -10.040 -4.184 1.00 54.23 C ATOM 67 CD1 ILE A 4 4.369 -7.258 -4.919 1.00 73.32 C ATOM 0 H ILE A 4 5.263 -7.642 -0.752 1.00 62.01 H new ATOM 0 HA ILE A 4 3.231 -8.583 -2.673 1.00 43.33 H new ATOM 0 HB ILE A 4 6.220 -9.173 -2.712 1.00 43.31 H new ATOM 0 HG12 ILE A 4 5.628 -6.793 -3.261 1.00 1.13 H new ATOM 0 HG13 ILE A 4 6.429 -7.668 -4.551 1.00 1.13 H new ATOM 0 HG21 ILE A 4 5.738 -10.144 -4.923 1.00 54.23 H new ATOM 0 HG22 ILE A 4 4.839 -10.973 -3.631 1.00 54.23 H new ATOM 0 HG23 ILE A 4 4.006 -9.810 -4.689 1.00 54.23 H new ATOM 0 HD11 ILE A 4 4.587 -6.316 -5.423 1.00 73.32 H new ATOM 0 HD12 ILE A 4 4.257 -8.049 -5.661 1.00 73.32 H new ATOM 0 HD13 ILE A 4 3.444 -7.160 -4.351 1.00 73.32 H new ATOM 79 N LYS A 5 3.423 -11.035 -1.879 1.00 52.50 N ATOM 80 CA LYS A 5 3.267 -12.310 -1.190 1.00 14.12 C ATOM 81 C LYS A 5 4.582 -13.082 -1.169 1.00 1.31 C ATOM 82 O LYS A 5 5.591 -12.622 -1.703 1.00 44.42 O ATOM 83 CB LYS A 5 2.181 -13.149 -1.867 1.00 61.51 C ATOM 84 CG LYS A 5 2.615 -13.749 -3.193 1.00 60.15 C ATOM 85 CD LYS A 5 1.447 -14.389 -3.925 1.00 51.30 C ATOM 86 CE LYS A 5 1.557 -14.193 -5.429 1.00 54.43 C ATOM 87 NZ LYS A 5 0.324 -14.635 -6.138 1.00 31.42 N ATOM 0 H LYS A 5 2.979 -10.995 -2.797 1.00 52.50 H new ATOM 0 HA LYS A 5 2.971 -12.105 -0.161 1.00 14.12 H new ATOM 0 HB2 LYS A 5 1.882 -13.953 -1.194 1.00 61.51 H new ATOM 0 HB3 LYS A 5 1.301 -12.526 -2.030 1.00 61.51 H new ATOM 0 HG2 LYS A 5 3.055 -12.972 -3.818 1.00 60.15 H new ATOM 0 HG3 LYS A 5 3.390 -14.496 -3.019 1.00 60.15 H new ATOM 0 HD2 LYS A 5 1.413 -15.454 -3.697 1.00 51.30 H new ATOM 0 HD3 LYS A 5 0.512 -13.957 -3.568 1.00 51.30 H new ATOM 0 HE2 LYS A 5 1.743 -13.141 -5.645 1.00 54.43 H new ATOM 0 HE3 LYS A 5 2.413 -14.752 -5.806 1.00 54.43 H new ATOM 0 HZ1 LYS A 5 0.439 -14.485 -7.161 1.00 31.42 H new ATOM 0 HZ2 LYS A 5 0.160 -15.645 -5.952 1.00 31.42 H new ATOM 0 HZ3 LYS A 5 -0.489 -14.084 -5.797 1.00 31.42 H new ATOM 101 N TYR A 6 4.563 -14.257 -0.550 1.00 62.03 N ATOM 102 CA TYR A 6 5.755 -15.092 -0.459 1.00 70.14 C ATOM 103 C TYR A 6 6.054 -15.762 -1.797 1.00 41.01 C ATOM 104 O TYR A 6 5.144 -16.081 -2.563 1.00 35.13 O ATOM 105 CB TYR A 6 5.578 -16.154 0.627 1.00 35.10 C ATOM 106 CG TYR A 6 5.236 -15.581 1.984 1.00 24.00 C ATOM 107 CD1 TYR A 6 6.072 -14.657 2.600 1.00 61.24 C ATOM 108 CD2 TYR A 6 4.079 -15.964 2.651 1.00 43.20 C ATOM 109 CE1 TYR A 6 5.765 -14.131 3.840 1.00 60.33 C ATOM 110 CE2 TYR A 6 3.763 -15.442 3.890 1.00 25.14 C ATOM 111 CZ TYR A 6 4.609 -14.526 4.481 1.00 64.53 C ATOM 112 OH TYR A 6 4.299 -14.006 5.716 1.00 41.50 O ATOM 0 H TYR A 6 3.736 -14.653 -0.104 1.00 62.03 H new ATOM 0 HA TYR A 6 6.597 -14.451 -0.197 1.00 70.14 H new ATOM 0 HB2 TYR A 6 4.790 -16.844 0.324 1.00 35.10 H new ATOM 0 HB3 TYR A 6 6.497 -16.735 0.708 1.00 35.10 H new ATOM 0 HD1 TYR A 6 6.977 -14.345 2.101 1.00 61.24 H new ATOM 0 HD2 TYR A 6 3.415 -16.682 2.193 1.00 43.20 H new ATOM 0 HE1 TYR A 6 6.426 -13.415 4.305 1.00 60.33 H new ATOM 0 HE2 TYR A 6 2.858 -15.749 4.394 1.00 25.14 H new ATOM 0 HH TYR A 6 3.452 -14.387 6.028 1.00 41.50 H new ATOM 122 N LEU A 7 7.337 -15.973 -2.072 1.00 14.22 N ATOM 123 CA LEU A 7 7.758 -16.606 -3.317 1.00 5.34 C ATOM 124 C LEU A 7 8.379 -17.973 -3.049 1.00 73.32 C ATOM 125 O LEU A 7 9.587 -18.158 -3.198 1.00 75.13 O ATOM 126 CB LEU A 7 8.761 -15.713 -4.051 1.00 75.43 C ATOM 127 CG LEU A 7 8.511 -14.208 -3.960 1.00 40.43 C ATOM 128 CD1 LEU A 7 9.694 -13.436 -4.524 1.00 11.52 C ATOM 129 CD2 LEU A 7 7.230 -13.834 -4.693 1.00 4.05 C ATOM 0 H LEU A 7 8.103 -15.715 -1.450 1.00 14.22 H new ATOM 0 HA LEU A 7 6.876 -16.744 -3.943 1.00 5.34 H new ATOM 0 HB2 LEU A 7 9.757 -15.920 -3.659 1.00 75.43 H new ATOM 0 HB3 LEU A 7 8.768 -15.997 -5.103 1.00 75.43 H new ATOM 0 HG LEU A 7 8.396 -13.941 -2.909 1.00 40.43 H new ATOM 0 HD11 LEU A 7 9.498 -12.366 -4.451 1.00 11.52 H new ATOM 0 HD12 LEU A 7 10.592 -13.680 -3.956 1.00 11.52 H new ATOM 0 HD13 LEU A 7 9.841 -13.708 -5.569 1.00 11.52 H new ATOM 0 HD21 LEU A 7 7.068 -12.759 -4.617 1.00 4.05 H new ATOM 0 HD22 LEU A 7 7.316 -14.115 -5.743 1.00 4.05 H new ATOM 0 HD23 LEU A 7 6.387 -14.360 -4.244 1.00 4.05 H new ATOM 141 N SER A 8 7.543 -18.929 -2.655 1.00 65.45 N ATOM 142 CA SER A 8 8.010 -20.280 -2.366 1.00 31.31 C ATOM 143 C SER A 8 6.835 -21.212 -2.085 1.00 30.05 C ATOM 144 O SER A 8 5.694 -20.769 -1.945 1.00 44.23 O ATOM 145 CB SER A 8 8.963 -20.268 -1.170 1.00 4.14 C ATOM 146 OG SER A 8 9.818 -21.398 -1.187 1.00 31.23 O ATOM 0 H SER A 8 6.540 -18.793 -2.529 1.00 65.45 H new ATOM 0 HA SER A 8 8.543 -20.649 -3.242 1.00 31.31 H new ATOM 0 HB2 SER A 8 9.560 -19.356 -1.186 1.00 4.14 H new ATOM 0 HB3 SER A 8 8.389 -20.257 -0.244 1.00 4.14 H new ATOM 0 HG SER A 8 9.399 -22.133 -0.693 1.00 31.23 H new ATOM 152 N THR A 9 7.122 -22.508 -2.002 1.00 13.40 N ATOM 153 CA THR A 9 6.091 -23.503 -1.739 1.00 33.43 C ATOM 154 C THR A 9 5.754 -23.567 -0.253 1.00 65.12 C ATOM 155 O THR A 9 4.618 -23.852 0.124 1.00 64.40 O ATOM 156 CB THR A 9 6.526 -24.902 -2.215 1.00 75.05 C ATOM 157 OG1 THR A 9 7.574 -24.785 -3.183 1.00 63.55 O ATOM 158 CG2 THR A 9 5.352 -25.657 -2.821 1.00 15.33 C ATOM 0 H THR A 9 8.060 -22.892 -2.113 1.00 13.40 H new ATOM 0 HA THR A 9 5.206 -23.196 -2.297 1.00 33.43 H new ATOM 0 HB THR A 9 6.889 -25.459 -1.351 1.00 75.05 H new ATOM 0 HG1 THR A 9 7.630 -25.612 -3.706 1.00 63.55 H new ATOM 0 HG21 THR A 9 5.684 -26.642 -3.150 1.00 15.33 H new ATOM 0 HG22 THR A 9 4.567 -25.769 -2.073 1.00 15.33 H new ATOM 0 HG23 THR A 9 4.964 -25.101 -3.674 1.00 15.33 H new ATOM 166 N ALA A 10 6.750 -23.299 0.586 1.00 35.10 N ATOM 167 CA ALA A 10 6.558 -23.323 2.031 1.00 71.42 C ATOM 168 C ALA A 10 6.070 -24.691 2.497 1.00 51.12 C ATOM 169 O ALA A 10 5.049 -24.798 3.177 1.00 72.32 O ATOM 170 CB ALA A 10 5.577 -22.239 2.451 1.00 32.34 C ATOM 0 H ALA A 10 7.697 -23.063 0.290 1.00 35.10 H new ATOM 0 HA ALA A 10 7.521 -23.129 2.504 1.00 71.42 H new ATOM 0 HB1 ALA A 10 5.443 -22.269 3.532 1.00 32.34 H new ATOM 0 HB2 ALA A 10 5.966 -21.263 2.160 1.00 32.34 H new ATOM 0 HB3 ALA A 10 4.618 -22.407 1.962 1.00 32.34 H new ATOM 176 N HIS A 11 6.805 -25.734 2.126 1.00 24.44 N ATOM 177 CA HIS A 11 6.447 -27.096 2.507 1.00 73.10 C ATOM 178 C HIS A 11 7.458 -27.668 3.496 1.00 12.12 C ATOM 179 O HIS A 11 7.144 -28.578 4.265 1.00 71.15 O ATOM 180 CB HIS A 11 6.366 -27.990 1.269 1.00 53.41 C ATOM 181 CG HIS A 11 5.081 -27.850 0.512 1.00 13.33 C ATOM 182 ND1 HIS A 11 4.790 -28.582 -0.619 1.00 71.31 N ATOM 183 CD2 HIS A 11 4.006 -27.057 0.732 1.00 50.32 C ATOM 184 CE1 HIS A 11 3.593 -28.245 -1.064 1.00 13.32 C ATOM 185 NE2 HIS A 11 3.095 -27.321 -0.261 1.00 43.04 N ATOM 0 H HIS A 11 7.652 -25.663 1.562 1.00 24.44 H new ATOM 0 HA HIS A 11 5.470 -27.066 2.990 1.00 73.10 H new ATOM 0 HB2 HIS A 11 7.197 -27.753 0.605 1.00 53.41 H new ATOM 0 HB3 HIS A 11 6.488 -29.030 1.573 1.00 53.41 H new ATOM 0 HD2 HIS A 11 3.887 -26.349 1.538 1.00 50.32 H new ATOM 0 HE1 HIS A 11 3.104 -28.655 -1.936 1.00 13.32 H new ATOM 0 HE2 HIS A 11 2.183 -26.876 -0.362 1.00 43.04 H new ATOM 193 N LEU A 12 8.672 -27.129 3.472 1.00 72.24 N ATOM 194 CA LEU A 12 9.730 -27.586 4.366 1.00 71.21 C ATOM 195 C LEU A 12 10.553 -26.410 4.881 1.00 22.01 C ATOM 196 O LEU A 12 10.906 -25.507 4.123 1.00 33.34 O ATOM 197 CB LEU A 12 10.639 -28.583 3.645 1.00 41.11 C ATOM 198 CG LEU A 12 11.636 -29.340 4.524 1.00 55.23 C ATOM 199 CD1 LEU A 12 10.912 -30.069 5.645 1.00 12.11 C ATOM 200 CD2 LEU A 12 12.449 -30.317 3.688 1.00 70.14 C ATOM 0 H LEU A 12 8.948 -26.375 2.843 1.00 72.24 H new ATOM 0 HA LEU A 12 9.264 -28.080 5.218 1.00 71.21 H new ATOM 0 HB2 LEU A 12 10.011 -29.312 3.132 1.00 41.11 H new ATOM 0 HB3 LEU A 12 11.196 -28.046 2.877 1.00 41.11 H new ATOM 0 HG LEU A 12 12.320 -28.618 4.970 1.00 55.23 H new ATOM 0 HD11 LEU A 12 11.637 -30.602 6.260 1.00 12.11 H new ATOM 0 HD12 LEU A 12 10.375 -29.348 6.261 1.00 12.11 H new ATOM 0 HD13 LEU A 12 10.205 -30.781 5.219 1.00 12.11 H new ATOM 0 HD21 LEU A 12 13.153 -30.847 4.330 1.00 70.14 H new ATOM 0 HD22 LEU A 12 11.780 -31.035 3.214 1.00 70.14 H new ATOM 0 HD23 LEU A 12 12.998 -29.771 2.921 1.00 70.14 H new ATOM 212 N ASN A 13 10.858 -26.429 6.175 1.00 73.13 N ATOM 213 CA ASN A 13 11.641 -25.365 6.791 1.00 4.32 C ATOM 214 C ASN A 13 10.959 -24.012 6.611 1.00 72.23 C ATOM 215 O ASN A 13 11.604 -22.966 6.680 1.00 15.42 O ATOM 216 CB ASN A 13 13.047 -25.324 6.189 1.00 42.43 C ATOM 217 CG ASN A 13 13.926 -26.451 6.695 1.00 62.04 C ATOM 218 OD1 ASN A 13 13.447 -27.386 7.336 1.00 24.41 O ATOM 219 ND2 ASN A 13 15.220 -26.367 6.407 1.00 10.35 N ATOM 0 H ASN A 13 10.575 -27.170 6.816 1.00 73.13 H new ATOM 0 HA ASN A 13 11.715 -25.575 7.858 1.00 4.32 H new ATOM 0 HB2 ASN A 13 12.976 -25.382 5.103 1.00 42.43 H new ATOM 0 HB3 ASN A 13 13.513 -24.368 6.427 1.00 42.43 H new ATOM 0 HD21 ASN A 13 15.861 -27.096 6.720 1.00 10.35 H new ATOM 0 HD22 ASN A 13 15.573 -25.573 5.873 1.00 10.35 H new ATOM 226 N TYR A 14 9.651 -24.042 6.379 1.00 22.14 N ATOM 227 CA TYR A 14 8.881 -22.819 6.187 1.00 31.11 C ATOM 228 C TYR A 14 9.557 -21.904 5.171 1.00 52.33 C ATOM 229 O TYR A 14 9.638 -20.692 5.368 1.00 3.23 O ATOM 230 CB TYR A 14 8.711 -22.084 7.518 1.00 75.22 C ATOM 231 CG TYR A 14 7.765 -22.775 8.474 1.00 12.01 C ATOM 232 CD1 TYR A 14 8.217 -23.771 9.331 1.00 61.11 C ATOM 233 CD2 TYR A 14 6.419 -22.432 8.520 1.00 21.54 C ATOM 234 CE1 TYR A 14 7.357 -24.406 10.206 1.00 54.51 C ATOM 235 CE2 TYR A 14 5.552 -23.060 9.393 1.00 31.52 C ATOM 236 CZ TYR A 14 6.025 -24.046 10.234 1.00 62.43 C ATOM 237 OH TYR A 14 5.164 -24.675 11.104 1.00 62.35 O ATOM 0 H TYR A 14 9.102 -24.900 6.319 1.00 22.14 H new ATOM 0 HA TYR A 14 7.899 -23.095 5.804 1.00 31.11 H new ATOM 0 HB2 TYR A 14 9.686 -21.982 7.995 1.00 75.22 H new ATOM 0 HB3 TYR A 14 8.345 -21.076 7.323 1.00 75.22 H new ATOM 0 HD1 TYR A 14 9.259 -24.054 9.313 1.00 61.11 H new ATOM 0 HD2 TYR A 14 6.045 -21.662 7.862 1.00 21.54 H new ATOM 0 HE1 TYR A 14 7.725 -25.179 10.864 1.00 54.51 H new ATOM 0 HE2 TYR A 14 4.509 -22.780 9.417 1.00 31.52 H new ATOM 0 HH TYR A 14 4.263 -24.304 10.998 1.00 62.35 H new ATOM 247 N MET A 15 10.039 -22.494 4.082 1.00 4.30 N ATOM 248 CA MET A 15 10.707 -21.732 3.033 1.00 52.13 C ATOM 249 C MET A 15 9.756 -20.713 2.412 1.00 2.14 C ATOM 250 O MET A 15 8.684 -21.067 1.925 1.00 34.34 O ATOM 251 CB MET A 15 11.241 -22.673 1.951 1.00 1.21 C ATOM 252 CG MET A 15 12.579 -22.239 1.375 1.00 24.25 C ATOM 253 SD MET A 15 13.969 -22.689 2.433 1.00 12.10 S ATOM 254 CE MET A 15 14.686 -24.036 1.495 1.00 3.51 C ATOM 0 H MET A 15 9.980 -23.496 3.903 1.00 4.30 H new ATOM 0 HA MET A 15 11.542 -21.196 3.484 1.00 52.13 H new ATOM 0 HB2 MET A 15 11.342 -23.674 2.370 1.00 1.21 H new ATOM 0 HB3 MET A 15 10.511 -22.737 1.144 1.00 1.21 H new ATOM 0 HG2 MET A 15 12.712 -22.694 0.393 1.00 24.25 H new ATOM 0 HG3 MET A 15 12.574 -21.159 1.228 1.00 24.25 H new ATOM 0 HE1 MET A 15 15.559 -24.422 2.022 1.00 3.51 H new ATOM 0 HE2 MET A 15 13.950 -24.832 1.380 1.00 3.51 H new ATOM 0 HE3 MET A 15 14.986 -23.675 0.511 1.00 3.51 H new ATOM 264 N ASN A 16 10.158 -19.446 2.434 1.00 35.04 N ATOM 265 CA ASN A 16 9.340 -18.376 1.875 1.00 43.44 C ATOM 266 C ASN A 16 10.172 -17.117 1.650 1.00 2.54 C ATOM 267 O ASN A 16 11.120 -16.847 2.389 1.00 31.10 O ATOM 268 CB ASN A 16 8.164 -18.065 2.803 1.00 43.12 C ATOM 269 CG ASN A 16 6.874 -18.712 2.338 1.00 61.12 C ATOM 270 OD1 ASN A 16 6.688 -18.967 1.148 1.00 41.22 O ATOM 271 ND2 ASN A 16 5.975 -18.981 3.278 1.00 62.15 N ATOM 0 H ASN A 16 11.044 -19.136 2.832 1.00 35.04 H new ATOM 0 HA ASN A 16 8.954 -18.713 0.913 1.00 43.44 H new ATOM 0 HB2 ASN A 16 8.398 -18.410 3.810 1.00 43.12 H new ATOM 0 HB3 ASN A 16 8.026 -16.985 2.860 1.00 43.12 H new ATOM 0 HD21 ASN A 16 5.088 -19.416 3.026 1.00 62.15 H new ATOM 0 HD22 ASN A 16 6.172 -18.752 4.252 1.00 62.15 H new ATOM 278 N ILE A 17 9.811 -16.349 0.628 1.00 74.55 N ATOM 279 CA ILE A 17 10.522 -15.118 0.307 1.00 22.35 C ATOM 280 C ILE A 17 9.566 -13.933 0.239 1.00 11.50 C ATOM 281 O ILE A 17 8.719 -13.856 -0.650 1.00 51.33 O ATOM 282 CB ILE A 17 11.274 -15.235 -1.031 1.00 45.34 C ATOM 283 CG1 ILE A 17 12.437 -16.221 -0.904 1.00 22.10 C ATOM 284 CG2 ILE A 17 11.777 -13.870 -1.477 1.00 2.42 C ATOM 285 CD1 ILE A 17 12.915 -16.767 -2.231 1.00 74.15 C ATOM 0 H ILE A 17 9.029 -16.558 0.007 1.00 74.55 H new ATOM 0 HA ILE A 17 11.244 -14.953 1.106 1.00 22.35 H new ATOM 0 HB ILE A 17 10.584 -15.612 -1.786 1.00 45.34 H new ATOM 0 HG12 ILE A 17 13.269 -15.726 -0.403 1.00 22.10 H new ATOM 0 HG13 ILE A 17 12.131 -17.051 -0.268 1.00 22.10 H new ATOM 0 HG21 ILE A 17 12.307 -13.969 -2.425 1.00 2.42 H new ATOM 0 HG22 ILE A 17 10.931 -13.194 -1.603 1.00 2.42 H new ATOM 0 HG23 ILE A 17 12.454 -13.468 -0.723 1.00 2.42 H new ATOM 0 HD11 ILE A 17 13.740 -17.459 -2.064 1.00 74.15 H new ATOM 0 HD12 ILE A 17 12.097 -17.291 -2.725 1.00 74.15 H new ATOM 0 HD13 ILE A 17 13.253 -15.945 -2.862 1.00 74.15 H new ATOM 297 N ALA A 18 9.709 -13.009 1.184 1.00 41.33 N ATOM 298 CA ALA A 18 8.861 -11.824 1.229 1.00 72.24 C ATOM 299 C ALA A 18 9.428 -10.709 0.356 1.00 31.52 C ATOM 300 O ALA A 18 10.570 -10.287 0.536 1.00 62.01 O ATOM 301 CB ALA A 18 8.700 -11.344 2.663 1.00 20.34 C ATOM 0 H ALA A 18 10.404 -13.058 1.929 1.00 41.33 H new ATOM 0 HA ALA A 18 7.881 -12.094 0.836 1.00 72.24 H new ATOM 0 HB1 ALA A 18 8.064 -10.459 2.681 1.00 20.34 H new ATOM 0 HB2 ALA A 18 8.242 -12.132 3.261 1.00 20.34 H new ATOM 0 HB3 ALA A 18 9.678 -11.097 3.076 1.00 20.34 H new ATOM 307 N VAL A 19 8.623 -10.237 -0.590 1.00 14.11 N ATOM 308 CA VAL A 19 9.044 -9.171 -1.490 1.00 43.44 C ATOM 309 C VAL A 19 8.103 -7.975 -1.405 1.00 54.31 C ATOM 310 O VAL A 19 7.000 -8.077 -0.868 1.00 14.04 O ATOM 311 CB VAL A 19 9.105 -9.659 -2.950 1.00 31.43 C ATOM 312 CG1 VAL A 19 10.546 -9.899 -3.373 1.00 50.25 C ATOM 313 CG2 VAL A 19 8.273 -10.921 -3.124 1.00 12.15 C ATOM 0 H VAL A 19 7.675 -10.576 -0.753 1.00 14.11 H new ATOM 0 HA VAL A 19 10.042 -8.867 -1.174 1.00 43.44 H new ATOM 0 HB VAL A 19 8.687 -8.884 -3.592 1.00 31.43 H new ATOM 0 HG11 VAL A 19 10.569 -10.243 -4.407 1.00 50.25 H new ATOM 0 HG12 VAL A 19 11.110 -8.970 -3.287 1.00 50.25 H new ATOM 0 HG13 VAL A 19 10.993 -10.656 -2.729 1.00 50.25 H new ATOM 0 HG21 VAL A 19 8.327 -11.252 -4.161 1.00 12.15 H new ATOM 0 HG22 VAL A 19 8.660 -11.704 -2.472 1.00 12.15 H new ATOM 0 HG23 VAL A 19 7.235 -10.712 -2.864 1.00 12.15 H new ATOM 323 N TYR A 20 8.545 -6.842 -1.939 1.00 55.42 N ATOM 324 CA TYR A 20 7.742 -5.625 -1.922 1.00 52.50 C ATOM 325 C TYR A 20 8.010 -4.778 -3.162 1.00 51.34 C ATOM 326 O TYR A 20 9.161 -4.522 -3.516 1.00 34.35 O ATOM 327 CB TYR A 20 8.038 -4.811 -0.661 1.00 45.44 C ATOM 328 CG TYR A 20 8.305 -5.661 0.560 1.00 74.41 C ATOM 329 CD1 TYR A 20 9.583 -6.127 0.841 1.00 3.00 C ATOM 330 CD2 TYR A 20 7.278 -6.001 1.432 1.00 13.51 C ATOM 331 CE1 TYR A 20 9.831 -6.905 1.955 1.00 23.23 C ATOM 332 CE2 TYR A 20 7.517 -6.777 2.549 1.00 13.14 C ATOM 333 CZ TYR A 20 8.795 -7.227 2.807 1.00 51.14 C ATOM 334 OH TYR A 20 9.037 -8.002 3.918 1.00 53.32 O ATOM 0 H TYR A 20 9.455 -6.741 -2.389 1.00 55.42 H new ATOM 0 HA TYR A 20 6.691 -5.914 -1.922 1.00 52.50 H new ATOM 0 HB2 TYR A 20 8.902 -4.173 -0.845 1.00 45.44 H new ATOM 0 HB3 TYR A 20 7.194 -4.153 -0.457 1.00 45.44 H new ATOM 0 HD1 TYR A 20 10.397 -5.877 0.177 1.00 3.00 H new ATOM 0 HD2 TYR A 20 6.275 -5.652 1.233 1.00 13.51 H new ATOM 0 HE1 TYR A 20 10.831 -7.259 2.158 1.00 23.23 H new ATOM 0 HE2 TYR A 20 6.707 -7.030 3.217 1.00 13.14 H new ATOM 0 HH TYR A 20 8.201 -8.135 4.412 1.00 53.32 H new ATOM 344 N GLU A 21 6.938 -4.345 -3.819 1.00 33.04 N ATOM 345 CA GLU A 21 7.057 -3.527 -5.020 1.00 14.12 C ATOM 346 C GLU A 21 7.085 -2.043 -4.667 1.00 10.34 C ATOM 347 O GLU A 21 6.471 -1.614 -3.691 1.00 34.44 O ATOM 348 CB GLU A 21 5.896 -3.813 -5.975 1.00 44.15 C ATOM 349 CG GLU A 21 5.817 -2.844 -7.144 1.00 21.45 C ATOM 350 CD GLU A 21 5.058 -3.416 -8.325 1.00 61.41 C ATOM 351 OE1 GLU A 21 5.191 -4.630 -8.585 1.00 30.51 O ATOM 352 OE2 GLU A 21 4.331 -2.649 -8.990 1.00 32.01 O ATOM 0 H GLU A 21 5.978 -4.547 -3.540 1.00 33.04 H new ATOM 0 HA GLU A 21 7.995 -3.784 -5.512 1.00 14.12 H new ATOM 0 HB2 GLU A 21 5.995 -4.828 -6.361 1.00 44.15 H new ATOM 0 HB3 GLU A 21 4.960 -3.774 -5.418 1.00 44.15 H new ATOM 0 HG2 GLU A 21 5.333 -1.924 -6.817 1.00 21.45 H new ATOM 0 HG3 GLU A 21 6.826 -2.578 -7.460 1.00 21.45 H new ATOM 359 N ASN A 22 7.804 -1.263 -5.468 1.00 73.31 N ATOM 360 CA ASN A 22 7.914 0.173 -5.240 1.00 72.02 C ATOM 361 C ASN A 22 6.796 0.925 -5.956 1.00 35.31 C ATOM 362 O ASN A 22 6.310 0.490 -6.999 1.00 71.03 O ATOM 363 CB ASN A 22 9.274 0.684 -5.719 1.00 24.51 C ATOM 364 CG ASN A 22 9.309 2.193 -5.858 1.00 40.21 C ATOM 365 OD1 ASN A 22 8.736 2.755 -6.792 1.00 31.03 O ATOM 366 ND2 ASN A 22 9.984 2.858 -4.927 1.00 71.33 N ATOM 0 H ASN A 22 8.319 -1.602 -6.281 1.00 73.31 H new ATOM 0 HA ASN A 22 7.822 0.353 -4.169 1.00 72.02 H new ATOM 0 HB2 ASN A 22 10.045 0.369 -5.016 1.00 24.51 H new ATOM 0 HB3 ASN A 22 9.512 0.228 -6.680 1.00 24.51 H new ATOM 0 HD21 ASN A 22 10.043 3.875 -4.969 1.00 71.33 H new ATOM 0 HD22 ASN A 22 10.444 2.351 -4.171 1.00 71.33 H new ATOM 373 N GLY A 23 6.392 2.057 -5.387 1.00 30.42 N ATOM 374 CA GLY A 23 5.335 2.851 -5.984 1.00 14.20 C ATOM 375 C GLY A 23 5.626 3.214 -7.427 1.00 30.33 C ATOM 376 O GLY A 23 5.223 2.501 -8.346 1.00 43.43 O ATOM 0 H GLY A 23 6.778 2.438 -4.523 1.00 30.42 H new ATOM 0 HA2 GLY A 23 4.397 2.298 -5.934 1.00 14.20 H new ATOM 0 HA3 GLY A 23 5.198 3.763 -5.404 1.00 14.20 H new ATOM 380 N SER A 24 6.327 4.326 -7.626 1.00 34.40 N ATOM 381 CA SER A 24 6.667 4.785 -8.968 1.00 32.44 C ATOM 382 C SER A 24 7.338 3.673 -9.768 1.00 65.10 C ATOM 383 O SER A 24 6.726 3.068 -10.649 1.00 1.25 O ATOM 384 CB SER A 24 7.588 6.004 -8.894 1.00 60.31 C ATOM 385 OG SER A 24 8.534 5.866 -7.848 1.00 13.13 O ATOM 0 H SER A 24 6.670 4.925 -6.875 1.00 34.40 H new ATOM 0 HA SER A 24 5.744 5.067 -9.475 1.00 32.44 H new ATOM 0 HB2 SER A 24 8.107 6.129 -9.844 1.00 60.31 H new ATOM 0 HB3 SER A 24 6.994 6.904 -8.735 1.00 60.31 H new ATOM 0 HG SER A 24 9.112 6.657 -7.823 1.00 13.13 H new ATOM 391 N LYS A 25 8.603 3.409 -9.456 1.00 34.43 N ATOM 392 CA LYS A 25 9.360 2.369 -10.143 1.00 51.52 C ATOM 393 C LYS A 25 9.130 1.009 -9.494 1.00 34.41 C ATOM 394 O LYS A 25 8.345 0.884 -8.553 1.00 54.42 O ATOM 395 CB LYS A 25 10.853 2.706 -10.132 1.00 31.41 C ATOM 396 CG LYS A 25 11.179 4.048 -10.763 1.00 12.20 C ATOM 397 CD LYS A 25 11.327 3.934 -12.271 1.00 14.31 C ATOM 398 CE LYS A 25 11.678 5.274 -12.899 1.00 43.13 C ATOM 399 NZ LYS A 25 12.002 5.140 -14.347 1.00 1.04 N ATOM 0 H LYS A 25 9.125 3.901 -8.731 1.00 34.43 H new ATOM 0 HA LYS A 25 9.011 2.322 -11.175 1.00 51.52 H new ATOM 0 HB2 LYS A 25 11.210 2.702 -9.102 1.00 31.41 H new ATOM 0 HB3 LYS A 25 11.397 1.924 -10.661 1.00 31.41 H new ATOM 0 HG2 LYS A 25 10.391 4.763 -10.527 1.00 12.20 H new ATOM 0 HG3 LYS A 25 12.102 4.438 -10.334 1.00 12.20 H new ATOM 0 HD2 LYS A 25 12.103 3.206 -12.508 1.00 14.31 H new ATOM 0 HD3 LYS A 25 10.398 3.561 -12.702 1.00 14.31 H new ATOM 0 HE2 LYS A 25 10.842 5.963 -12.776 1.00 43.13 H new ATOM 0 HE3 LYS A 25 12.529 5.709 -12.375 1.00 43.13 H new ATOM 0 HZ1 LYS A 25 12.236 6.075 -14.738 1.00 1.04 H new ATOM 0 HZ2 LYS A 25 12.816 4.503 -14.463 1.00 1.04 H new ATOM 0 HZ3 LYS A 25 11.181 4.749 -14.852 1.00 1.04 H new ATOM 413 N ILE A 26 9.819 -0.008 -10.001 1.00 10.14 N ATOM 414 CA ILE A 26 9.691 -1.359 -9.468 1.00 13.54 C ATOM 415 C ILE A 26 10.809 -1.668 -8.478 1.00 41.52 C ATOM 416 O ILE A 26 11.952 -1.250 -8.666 1.00 22.33 O ATOM 417 CB ILE A 26 9.709 -2.411 -10.591 1.00 63.44 C ATOM 418 CG1 ILE A 26 8.554 -2.170 -11.565 1.00 32.40 C ATOM 419 CG2 ILE A 26 9.632 -3.813 -10.005 1.00 73.23 C ATOM 420 CD1 ILE A 26 7.196 -2.499 -10.984 1.00 41.25 C ATOM 0 H ILE A 26 10.472 0.078 -10.780 1.00 10.14 H new ATOM 0 HA ILE A 26 8.731 -1.406 -8.954 1.00 13.54 H new ATOM 0 HB ILE A 26 10.646 -2.319 -11.140 1.00 63.44 H new ATOM 0 HG12 ILE A 26 8.564 -1.125 -11.876 1.00 32.40 H new ATOM 0 HG13 ILE A 26 8.713 -2.771 -12.460 1.00 32.40 H new ATOM 0 HG21 ILE A 26 9.646 -4.546 -10.812 1.00 73.23 H new ATOM 0 HG22 ILE A 26 10.486 -3.980 -9.348 1.00 73.23 H new ATOM 0 HG23 ILE A 26 8.709 -3.919 -9.434 1.00 73.23 H new ATOM 0 HD11 ILE A 26 6.425 -2.304 -11.729 1.00 41.25 H new ATOM 0 HD12 ILE A 26 7.168 -3.550 -10.698 1.00 41.25 H new ATOM 0 HD13 ILE A 26 7.016 -1.879 -10.105 1.00 41.25 H new ATOM 432 N LYS A 27 10.473 -2.403 -7.424 1.00 74.32 N ATOM 433 CA LYS A 27 11.448 -2.772 -6.405 1.00 70.43 C ATOM 434 C LYS A 27 11.294 -4.238 -6.010 1.00 44.34 C ATOM 435 O LYS A 27 10.179 -4.741 -5.878 1.00 42.12 O ATOM 436 CB LYS A 27 11.289 -1.881 -5.171 1.00 61.33 C ATOM 437 CG LYS A 27 12.115 -2.337 -3.981 1.00 64.42 C ATOM 438 CD LYS A 27 12.791 -1.165 -3.289 1.00 74.21 C ATOM 439 CE LYS A 27 11.814 -0.399 -2.411 1.00 12.33 C ATOM 440 NZ LYS A 27 12.508 0.594 -1.544 1.00 61.41 N ATOM 0 H LYS A 27 9.531 -2.755 -7.253 1.00 74.32 H new ATOM 0 HA LYS A 27 12.445 -2.629 -6.823 1.00 70.43 H new ATOM 0 HB2 LYS A 27 11.573 -0.861 -5.431 1.00 61.33 H new ATOM 0 HB3 LYS A 27 10.238 -1.856 -4.885 1.00 61.33 H new ATOM 0 HG2 LYS A 27 11.474 -2.859 -3.271 1.00 64.42 H new ATOM 0 HG3 LYS A 27 12.870 -3.050 -4.313 1.00 64.42 H new ATOM 0 HD2 LYS A 27 13.620 -1.528 -2.682 1.00 74.21 H new ATOM 0 HD3 LYS A 27 13.214 -0.494 -4.037 1.00 74.21 H new ATOM 0 HE2 LYS A 27 11.086 0.114 -3.040 1.00 12.33 H new ATOM 0 HE3 LYS A 27 11.259 -1.100 -1.788 1.00 12.33 H new ATOM 0 HZ1 LYS A 27 11.808 1.095 -0.961 1.00 61.41 H new ATOM 0 HZ2 LYS A 27 13.185 0.102 -0.926 1.00 61.41 H new ATOM 0 HZ3 LYS A 27 13.017 1.279 -2.139 1.00 61.41 H new ATOM 454 N ALA A 28 12.421 -4.916 -5.822 1.00 64.42 N ATOM 455 CA ALA A 28 12.411 -6.323 -5.439 1.00 3.30 C ATOM 456 C ALA A 28 13.358 -6.580 -4.271 1.00 75.22 C ATOM 457 O ALA A 28 14.578 -6.517 -4.423 1.00 54.11 O ATOM 458 CB ALA A 28 12.786 -7.196 -6.627 1.00 61.20 C ATOM 0 H ALA A 28 13.352 -4.514 -5.929 1.00 64.42 H new ATOM 0 HA ALA A 28 11.402 -6.580 -5.118 1.00 3.30 H new ATOM 0 HB1 ALA A 28 12.775 -8.244 -6.327 1.00 61.20 H new ATOM 0 HB2 ALA A 28 12.068 -7.042 -7.433 1.00 61.20 H new ATOM 0 HB3 ALA A 28 13.784 -6.929 -6.974 1.00 61.20 H new ATOM 464 N ARG A 29 12.787 -6.870 -3.106 1.00 42.03 N ATOM 465 CA ARG A 29 13.581 -7.135 -1.912 1.00 75.12 C ATOM 466 C ARG A 29 13.313 -8.541 -1.383 1.00 10.02 C ATOM 467 O ARG A 29 12.271 -8.801 -0.781 1.00 21.32 O ATOM 468 CB ARG A 29 13.269 -6.102 -0.827 1.00 61.35 C ATOM 469 CG ARG A 29 14.068 -6.301 0.450 1.00 45.20 C ATOM 470 CD ARG A 29 13.394 -5.634 1.639 1.00 51.05 C ATOM 471 NE ARG A 29 13.896 -6.145 2.911 1.00 65.31 N ATOM 472 CZ ARG A 29 13.632 -5.583 4.085 1.00 42.31 C ATOM 473 NH1 ARG A 29 12.874 -4.497 4.148 1.00 42.33 N ATOM 474 NH2 ARG A 29 14.126 -6.107 5.199 1.00 1.13 N ATOM 0 H ARG A 29 11.779 -6.927 -2.964 1.00 42.03 H new ATOM 0 HA ARG A 29 14.634 -7.061 -2.182 1.00 75.12 H new ATOM 0 HB2 ARG A 29 13.468 -5.105 -1.219 1.00 61.35 H new ATOM 0 HB3 ARG A 29 12.206 -6.145 -0.591 1.00 61.35 H new ATOM 0 HG2 ARG A 29 14.183 -7.367 0.646 1.00 45.20 H new ATOM 0 HG3 ARG A 29 15.070 -5.891 0.321 1.00 45.20 H new ATOM 0 HD2 ARG A 29 13.557 -4.557 1.591 1.00 51.05 H new ATOM 0 HD3 ARG A 29 12.318 -5.796 1.583 1.00 51.05 H new ATOM 0 HE ARG A 29 14.482 -6.980 2.897 1.00 65.31 H new ATOM 0 HH11 ARG A 29 12.492 -4.091 3.294 1.00 42.33 H new ATOM 0 HH12 ARG A 29 12.673 -4.067 5.051 1.00 42.33 H new ATOM 0 HH21 ARG A 29 14.709 -6.943 5.155 1.00 1.13 H new ATOM 0 HH22 ARG A 29 13.922 -5.674 6.100 1.00 1.13 H new ATOM 488 N VAL A 30 14.261 -9.444 -1.612 1.00 31.42 N ATOM 489 CA VAL A 30 14.128 -10.824 -1.158 1.00 3.52 C ATOM 490 C VAL A 30 14.405 -10.939 0.337 1.00 64.12 C ATOM 491 O VAL A 30 15.476 -10.559 0.810 1.00 14.13 O ATOM 492 CB VAL A 30 15.085 -11.760 -1.920 1.00 53.31 C ATOM 493 CG1 VAL A 30 15.080 -13.148 -1.300 1.00 21.55 C ATOM 494 CG2 VAL A 30 14.707 -11.823 -3.392 1.00 75.32 C ATOM 0 H VAL A 30 15.129 -9.245 -2.109 1.00 31.42 H new ATOM 0 HA VAL A 30 13.100 -11.126 -1.359 1.00 3.52 H new ATOM 0 HB VAL A 30 16.096 -11.359 -1.845 1.00 53.31 H new ATOM 0 HG11 VAL A 30 15.762 -13.795 -1.852 1.00 21.55 H new ATOM 0 HG12 VAL A 30 15.402 -13.083 -0.261 1.00 21.55 H new ATOM 0 HG13 VAL A 30 14.073 -13.562 -1.343 1.00 21.55 H new ATOM 0 HG21 VAL A 30 15.393 -12.489 -3.916 1.00 75.32 H new ATOM 0 HG22 VAL A 30 13.689 -12.201 -3.490 1.00 75.32 H new ATOM 0 HG23 VAL A 30 14.767 -10.825 -3.826 1.00 75.32 H new ATOM 504 N GLU A 31 13.434 -11.467 1.074 1.00 34.14 N ATOM 505 CA GLU A 31 13.574 -11.632 2.516 1.00 33.43 C ATOM 506 C GLU A 31 13.112 -13.020 2.952 1.00 12.14 C ATOM 507 O GLU A 31 11.996 -13.438 2.648 1.00 72.23 O ATOM 508 CB GLU A 31 12.771 -10.560 3.255 1.00 14.14 C ATOM 509 CG GLU A 31 12.638 -10.818 4.747 1.00 65.21 C ATOM 510 CD GLU A 31 12.193 -9.589 5.515 1.00 54.04 C ATOM 511 OE1 GLU A 31 12.212 -8.485 4.931 1.00 30.14 O ATOM 512 OE2 GLU A 31 11.824 -9.732 6.699 1.00 12.43 O ATOM 0 H GLU A 31 12.542 -11.788 0.697 1.00 34.14 H new ATOM 0 HA GLU A 31 14.629 -11.523 2.768 1.00 33.43 H new ATOM 0 HB2 GLU A 31 13.248 -9.592 3.104 1.00 14.14 H new ATOM 0 HB3 GLU A 31 11.775 -10.497 2.816 1.00 14.14 H new ATOM 0 HG2 GLU A 31 11.921 -11.623 4.910 1.00 65.21 H new ATOM 0 HG3 GLU A 31 13.596 -11.160 5.139 1.00 65.21 H new ATOM 519 N ASN A 32 13.980 -13.728 3.667 1.00 32.52 N ATOM 520 CA ASN A 32 13.662 -15.069 4.145 1.00 63.54 C ATOM 521 C ASN A 32 12.865 -15.010 5.444 1.00 1.31 C ATOM 522 O ASN A 32 12.713 -13.945 6.043 1.00 32.12 O ATOM 523 CB ASN A 32 14.946 -15.875 4.357 1.00 14.00 C ATOM 524 CG ASN A 32 14.699 -17.371 4.337 1.00 62.23 C ATOM 525 OD1 ASN A 32 13.587 -17.825 4.068 1.00 14.41 O ATOM 526 ND2 ASN A 32 15.739 -18.146 4.622 1.00 44.13 N ATOM 0 H ASN A 32 14.908 -13.396 3.928 1.00 32.52 H new ATOM 0 HA ASN A 32 13.052 -15.562 3.388 1.00 63.54 H new ATOM 0 HB2 ASN A 32 15.666 -15.618 3.580 1.00 14.00 H new ATOM 0 HB3 ASN A 32 15.394 -15.596 5.311 1.00 14.00 H new ATOM 0 HD21 ASN A 32 15.634 -19.161 4.624 1.00 44.13 H new ATOM 0 HD22 ASN A 32 16.643 -17.727 4.839 1.00 44.13 H new ATOM 533 N VAL A 33 12.359 -16.161 5.875 1.00 53.21 N ATOM 534 CA VAL A 33 11.579 -16.240 7.104 1.00 33.51 C ATOM 535 C VAL A 33 12.190 -17.241 8.079 1.00 51.40 C ATOM 536 O VAL A 33 12.278 -16.980 9.279 1.00 71.00 O ATOM 537 CB VAL A 33 10.120 -16.645 6.818 1.00 2.31 C ATOM 538 CG1 VAL A 33 9.366 -15.497 6.164 1.00 64.25 C ATOM 539 CG2 VAL A 33 10.074 -17.890 5.946 1.00 63.13 C ATOM 0 H VAL A 33 12.475 -17.051 5.391 1.00 53.21 H new ATOM 0 HA VAL A 33 11.592 -15.246 7.551 1.00 33.51 H new ATOM 0 HB VAL A 33 9.632 -16.875 7.765 1.00 2.31 H new ATOM 0 HG11 VAL A 33 8.338 -15.801 5.969 1.00 64.25 H new ATOM 0 HG12 VAL A 33 9.369 -14.634 6.829 1.00 64.25 H new ATOM 0 HG13 VAL A 33 9.850 -15.232 5.224 1.00 64.25 H new ATOM 0 HG21 VAL A 33 9.036 -18.162 5.754 1.00 63.13 H new ATOM 0 HG22 VAL A 33 10.578 -17.691 5.000 1.00 63.13 H new ATOM 0 HG23 VAL A 33 10.575 -18.711 6.458 1.00 63.13 H new ATOM 549 N VAL A 34 12.612 -18.387 7.555 1.00 21.01 N ATOM 550 CA VAL A 34 13.217 -19.427 8.379 1.00 43.14 C ATOM 551 C VAL A 34 14.561 -18.973 8.938 1.00 40.24 C ATOM 552 O VAL A 34 14.947 -19.355 10.041 1.00 33.33 O ATOM 553 CB VAL A 34 13.419 -20.729 7.580 1.00 2.53 C ATOM 554 CG1 VAL A 34 14.630 -20.613 6.667 1.00 3.24 C ATOM 555 CG2 VAL A 34 13.563 -21.914 8.523 1.00 71.14 C ATOM 0 H VAL A 34 12.546 -18.619 6.564 1.00 21.01 H new ATOM 0 HA VAL A 34 12.530 -19.618 9.203 1.00 43.14 H new ATOM 0 HB VAL A 34 12.540 -20.894 6.957 1.00 2.53 H new ATOM 0 HG11 VAL A 34 14.757 -21.542 6.111 1.00 3.24 H new ATOM 0 HG12 VAL A 34 14.482 -19.789 5.969 1.00 3.24 H new ATOM 0 HG13 VAL A 34 15.521 -20.425 7.266 1.00 3.24 H new ATOM 0 HG21 VAL A 34 13.705 -22.826 7.943 1.00 71.14 H new ATOM 0 HG22 VAL A 34 14.425 -21.760 9.173 1.00 71.14 H new ATOM 0 HG23 VAL A 34 12.663 -22.007 9.130 1.00 71.14 H new ATOM 565 N ASN A 35 15.270 -18.154 8.167 1.00 13.33 N ATOM 566 CA ASN A 35 16.572 -17.647 8.586 1.00 54.44 C ATOM 567 C ASN A 35 16.415 -16.497 9.576 1.00 10.02 C ATOM 568 O ASN A 35 17.342 -16.171 10.317 1.00 73.22 O ATOM 569 CB ASN A 35 17.375 -17.181 7.370 1.00 65.12 C ATOM 570 CG ASN A 35 18.271 -18.273 6.816 1.00 2.45 C ATOM 571 OD1 ASN A 35 18.163 -19.436 7.204 1.00 34.01 O ATOM 572 ND2 ASN A 35 19.163 -17.901 5.905 1.00 12.23 N ATOM 0 H ASN A 35 14.965 -17.828 7.250 1.00 13.33 H new ATOM 0 HA ASN A 35 17.108 -18.457 9.080 1.00 54.44 H new ATOM 0 HB2 ASN A 35 16.689 -16.847 6.591 1.00 65.12 H new ATOM 0 HB3 ASN A 35 17.984 -16.321 7.648 1.00 65.12 H new ATOM 0 HD21 ASN A 35 19.794 -18.591 5.497 1.00 12.23 H new ATOM 0 HD22 ASN A 35 19.217 -16.925 5.613 1.00 12.23 H new ATOM 579 N GLY A 36 15.234 -15.886 9.584 1.00 50.02 N ATOM 580 CA GLY A 36 14.977 -14.780 10.487 1.00 12.23 C ATOM 581 C GLY A 36 15.838 -13.570 10.182 1.00 33.04 C ATOM 582 O GLY A 36 15.938 -12.649 10.994 1.00 61.33 O ATOM 0 H GLY A 36 14.451 -16.138 8.981 1.00 50.02 H new ATOM 0 HA2 GLY A 36 13.926 -14.499 10.423 1.00 12.23 H new ATOM 0 HA3 GLY A 36 15.159 -15.102 11.512 1.00 12.23 H new ATOM 586 N LYS A 37 16.463 -13.571 9.010 1.00 53.11 N ATOM 587 CA LYS A 37 17.320 -12.466 8.599 1.00 44.13 C ATOM 588 C LYS A 37 17.177 -12.193 7.105 1.00 41.41 C ATOM 589 O LYS A 37 17.616 -12.988 6.274 1.00 52.21 O ATOM 590 CB LYS A 37 18.781 -12.775 8.933 1.00 23.25 C ATOM 591 CG LYS A 37 19.766 -11.793 8.324 1.00 42.32 C ATOM 592 CD LYS A 37 19.481 -10.368 8.769 1.00 32.20 C ATOM 593 CE LYS A 37 20.570 -9.411 8.308 1.00 34.41 C ATOM 594 NZ LYS A 37 20.834 -9.534 6.848 1.00 62.32 N ATOM 0 H LYS A 37 16.392 -14.326 8.327 1.00 53.11 H new ATOM 0 HA LYS A 37 17.009 -11.576 9.145 1.00 44.13 H new ATOM 0 HB2 LYS A 37 18.905 -12.776 10.016 1.00 23.25 H new ATOM 0 HB3 LYS A 37 19.020 -13.780 8.584 1.00 23.25 H new ATOM 0 HG2 LYS A 37 20.781 -12.069 8.611 1.00 42.32 H new ATOM 0 HG3 LYS A 37 19.715 -11.853 7.237 1.00 42.32 H new ATOM 0 HD2 LYS A 37 18.519 -10.046 8.369 1.00 32.20 H new ATOM 0 HD3 LYS A 37 19.402 -10.334 9.856 1.00 32.20 H new ATOM 0 HE2 LYS A 37 20.276 -8.387 8.539 1.00 34.41 H new ATOM 0 HE3 LYS A 37 21.488 -9.611 8.861 1.00 34.41 H new ATOM 0 HZ1 LYS A 37 21.412 -8.730 6.531 1.00 62.32 H new ATOM 0 HZ2 LYS A 37 21.343 -10.421 6.661 1.00 62.32 H new ATOM 0 HZ3 LYS A 37 19.932 -9.537 6.331 1.00 62.32 H new ATOM 608 N SER A 38 16.562 -11.063 6.771 1.00 53.21 N ATOM 609 CA SER A 38 16.359 -10.686 5.377 1.00 71.11 C ATOM 610 C SER A 38 17.695 -10.486 4.668 1.00 1.13 C ATOM 611 O SER A 38 18.413 -9.521 4.932 1.00 14.02 O ATOM 612 CB SER A 38 15.525 -9.406 5.288 1.00 21.45 C ATOM 613 OG SER A 38 16.274 -8.279 5.709 1.00 65.43 O ATOM 0 H SER A 38 16.196 -10.393 7.447 1.00 53.21 H new ATOM 0 HA SER A 38 15.822 -11.496 4.882 1.00 71.11 H new ATOM 0 HB2 SER A 38 15.187 -9.259 4.262 1.00 21.45 H new ATOM 0 HB3 SER A 38 14.633 -9.506 5.907 1.00 21.45 H new ATOM 0 HG SER A 38 17.199 -8.366 5.398 1.00 65.43 H new ATOM 619 N VAL A 39 18.023 -11.406 3.766 1.00 1.43 N ATOM 620 CA VAL A 39 19.272 -11.331 3.018 1.00 61.22 C ATOM 621 C VAL A 39 19.009 -11.194 1.522 1.00 3.04 C ATOM 622 O VAL A 39 19.334 -12.086 0.740 1.00 44.11 O ATOM 623 CB VAL A 39 20.148 -12.574 3.262 1.00 32.51 C ATOM 624 CG1 VAL A 39 20.888 -12.455 4.585 1.00 3.33 C ATOM 625 CG2 VAL A 39 19.300 -13.837 3.228 1.00 25.43 C ATOM 0 H VAL A 39 17.441 -12.212 3.536 1.00 1.43 H new ATOM 0 HA VAL A 39 19.801 -10.447 3.374 1.00 61.22 H new ATOM 0 HB VAL A 39 20.888 -12.638 2.464 1.00 32.51 H new ATOM 0 HG11 VAL A 39 21.502 -13.343 4.740 1.00 3.33 H new ATOM 0 HG12 VAL A 39 21.526 -11.571 4.567 1.00 3.33 H new ATOM 0 HG13 VAL A 39 20.168 -12.366 5.398 1.00 3.33 H new ATOM 0 HG21 VAL A 39 19.934 -14.706 3.402 1.00 25.43 H new ATOM 0 HG22 VAL A 39 18.537 -13.784 4.004 1.00 25.43 H new ATOM 0 HG23 VAL A 39 18.821 -13.927 2.253 1.00 25.43 H new ATOM 635 N GLY A 40 18.418 -10.069 1.132 1.00 42.25 N ATOM 636 CA GLY A 40 18.122 -9.835 -0.270 1.00 13.33 C ATOM 637 C GLY A 40 17.750 -8.392 -0.550 1.00 74.33 C ATOM 638 O GLY A 40 16.881 -7.828 0.114 1.00 72.03 O ATOM 0 H GLY A 40 18.139 -9.316 1.761 1.00 42.25 H new ATOM 0 HA2 GLY A 40 18.989 -10.107 -0.872 1.00 13.33 H new ATOM 0 HA3 GLY A 40 17.303 -10.485 -0.579 1.00 13.33 H new ATOM 642 N ALA A 41 18.410 -7.794 -1.536 1.00 52.41 N ATOM 643 CA ALA A 41 18.143 -6.408 -1.903 1.00 63.32 C ATOM 644 C ALA A 41 18.436 -6.166 -3.380 1.00 4.52 C ATOM 645 O ALA A 41 19.549 -6.404 -3.849 1.00 24.02 O ATOM 646 CB ALA A 41 18.966 -5.465 -1.038 1.00 21.42 C ATOM 0 H ALA A 41 19.133 -8.247 -2.095 1.00 52.41 H new ATOM 0 HA ALA A 41 17.085 -6.210 -1.732 1.00 63.32 H new ATOM 0 HB1 ALA A 41 18.757 -4.434 -1.323 1.00 21.42 H new ATOM 0 HB2 ALA A 41 18.705 -5.612 0.010 1.00 21.42 H new ATOM 0 HB3 ALA A 41 20.026 -5.673 -1.181 1.00 21.42 H new ATOM 652 N ARG A 42 17.431 -5.691 -4.108 1.00 12.24 N ATOM 653 CA ARG A 42 17.581 -5.418 -5.532 1.00 12.21 C ATOM 654 C ARG A 42 16.617 -4.323 -5.980 1.00 2.30 C ATOM 655 O ARG A 42 15.754 -3.891 -5.216 1.00 32.01 O ATOM 656 CB ARG A 42 17.337 -6.690 -6.345 1.00 63.42 C ATOM 657 CG ARG A 42 18.614 -7.355 -6.833 1.00 22.34 C ATOM 658 CD ARG A 42 18.608 -7.534 -8.343 1.00 32.23 C ATOM 659 NE ARG A 42 19.006 -6.314 -9.040 1.00 63.50 N ATOM 660 CZ ARG A 42 20.270 -5.932 -9.188 1.00 12.35 C ATOM 661 NH1 ARG A 42 21.252 -6.670 -8.689 1.00 40.23 N ATOM 662 NH2 ARG A 42 20.553 -4.809 -9.835 1.00 13.50 N ATOM 0 H ARG A 42 16.504 -5.487 -3.735 1.00 12.24 H new ATOM 0 HA ARG A 42 18.601 -5.074 -5.705 1.00 12.21 H new ATOM 0 HB2 ARG A 42 16.778 -7.400 -5.735 1.00 63.42 H new ATOM 0 HB3 ARG A 42 16.712 -6.447 -7.205 1.00 63.42 H new ATOM 0 HG2 ARG A 42 19.474 -6.752 -6.541 1.00 22.34 H new ATOM 0 HG3 ARG A 42 18.727 -8.326 -6.351 1.00 22.34 H new ATOM 0 HD2 ARG A 42 19.285 -8.344 -8.615 1.00 32.23 H new ATOM 0 HD3 ARG A 42 17.611 -7.829 -8.669 1.00 32.23 H new ATOM 0 HE ARG A 42 18.274 -5.723 -9.435 1.00 63.50 H new ATOM 0 HH11 ARG A 42 21.038 -7.533 -8.190 1.00 40.23 H new ATOM 0 HH12 ARG A 42 22.221 -6.374 -8.804 1.00 40.23 H new ATOM 0 HH21 ARG A 42 19.800 -4.238 -10.219 1.00 13.50 H new ATOM 0 HH22 ARG A 42 21.524 -4.516 -9.948 1.00 13.50 H new ATOM 676 N ASP A 43 16.772 -3.878 -7.222 1.00 72.01 N ATOM 677 CA ASP A 43 15.916 -2.834 -7.773 1.00 15.25 C ATOM 678 C ASP A 43 15.605 -3.103 -9.242 1.00 25.44 C ATOM 679 O ASP A 43 16.506 -3.143 -10.080 1.00 24.42 O ATOM 680 CB ASP A 43 16.582 -1.466 -7.622 1.00 5.40 C ATOM 681 CG ASP A 43 15.574 -0.341 -7.497 1.00 10.50 C ATOM 682 OD1 ASP A 43 14.467 -0.591 -6.975 1.00 2.41 O ATOM 683 OD2 ASP A 43 15.892 0.790 -7.920 1.00 52.24 O ATOM 0 H ASP A 43 17.483 -4.224 -7.867 1.00 72.01 H new ATOM 0 HA ASP A 43 14.979 -2.837 -7.216 1.00 15.25 H new ATOM 0 HB2 ASP A 43 17.225 -1.473 -6.742 1.00 5.40 H new ATOM 0 HB3 ASP A 43 17.224 -1.281 -8.483 1.00 5.40 H new ATOM 688 N PHE A 44 14.325 -3.289 -9.547 1.00 4.05 N ATOM 689 CA PHE A 44 13.896 -3.557 -10.914 1.00 64.22 C ATOM 690 C PHE A 44 13.314 -2.302 -11.558 1.00 5.13 C ATOM 691 O PHE A 44 13.254 -1.242 -10.934 1.00 30.44 O ATOM 692 CB PHE A 44 12.859 -4.682 -10.935 1.00 23.04 C ATOM 693 CG PHE A 44 13.464 -6.053 -11.034 1.00 21.31 C ATOM 694 CD1 PHE A 44 14.489 -6.436 -10.184 1.00 20.04 C ATOM 695 CD2 PHE A 44 13.007 -6.960 -11.977 1.00 45.31 C ATOM 696 CE1 PHE A 44 15.048 -7.697 -10.274 1.00 13.14 C ATOM 697 CE2 PHE A 44 13.562 -8.222 -12.071 1.00 61.25 C ATOM 698 CZ PHE A 44 14.583 -8.592 -11.218 1.00 11.52 C ATOM 0 H PHE A 44 13.567 -3.259 -8.865 1.00 4.05 H new ATOM 0 HA PHE A 44 14.770 -3.867 -11.488 1.00 64.22 H new ATOM 0 HB2 PHE A 44 12.254 -4.625 -10.030 1.00 23.04 H new ATOM 0 HB3 PHE A 44 12.186 -4.529 -11.778 1.00 23.04 H new ATOM 0 HD1 PHE A 44 14.855 -5.741 -9.443 1.00 20.04 H new ATOM 0 HD2 PHE A 44 12.208 -6.677 -12.646 1.00 45.31 H new ATOM 0 HE1 PHE A 44 15.848 -7.982 -9.607 1.00 13.14 H new ATOM 0 HE2 PHE A 44 13.197 -8.919 -12.811 1.00 61.25 H new ATOM 0 HZ PHE A 44 15.017 -9.578 -11.289 1.00 11.52 H new ATOM 708 N ASP A 45 12.888 -2.430 -12.809 1.00 44.54 N ATOM 709 CA ASP A 45 12.311 -1.306 -13.539 1.00 33.53 C ATOM 710 C ASP A 45 10.874 -1.608 -13.952 1.00 34.33 C ATOM 711 O ASP A 45 9.966 -0.814 -13.705 1.00 4.23 O ATOM 712 CB ASP A 45 13.153 -0.986 -14.774 1.00 50.24 C ATOM 713 CG ASP A 45 14.352 -0.117 -14.448 1.00 52.04 C ATOM 714 OD1 ASP A 45 14.326 0.560 -13.400 1.00 13.04 O ATOM 715 OD2 ASP A 45 15.316 -0.113 -15.243 1.00 31.34 O ATOM 0 H ASP A 45 12.931 -3.300 -13.339 1.00 44.54 H new ATOM 0 HA ASP A 45 12.306 -0.439 -12.878 1.00 33.53 H new ATOM 0 HB2 ASP A 45 13.495 -1.916 -15.228 1.00 50.24 H new ATOM 0 HB3 ASP A 45 12.531 -0.480 -15.513 1.00 50.24 H new ATOM 720 N SER A 46 10.674 -2.761 -14.583 1.00 22.03 N ATOM 721 CA SER A 46 9.348 -3.166 -15.035 1.00 1.33 C ATOM 722 C SER A 46 8.883 -4.420 -14.301 1.00 3.24 C ATOM 723 O SER A 46 9.654 -5.360 -14.102 1.00 10.42 O ATOM 724 CB SER A 46 9.355 -3.417 -16.544 1.00 23.53 C ATOM 725 OG SER A 46 8.042 -3.376 -17.074 1.00 33.42 O ATOM 0 H SER A 46 11.414 -3.431 -14.793 1.00 22.03 H new ATOM 0 HA SER A 46 8.652 -2.357 -14.812 1.00 1.33 H new ATOM 0 HB2 SER A 46 9.973 -2.667 -17.038 1.00 23.53 H new ATOM 0 HB3 SER A 46 9.804 -4.388 -16.752 1.00 23.53 H new ATOM 0 HG SER A 46 8.074 -3.538 -18.040 1.00 33.42 H new ATOM 731 N THR A 47 7.616 -4.427 -13.899 1.00 71.30 N ATOM 732 CA THR A 47 7.047 -5.564 -13.186 1.00 12.21 C ATOM 733 C THR A 47 7.048 -6.815 -14.056 1.00 61.50 C ATOM 734 O THR A 47 7.109 -7.935 -13.548 1.00 42.33 O ATOM 735 CB THR A 47 5.606 -5.274 -12.726 1.00 12.14 C ATOM 736 OG1 THR A 47 5.331 -3.872 -12.830 1.00 33.50 O ATOM 737 CG2 THR A 47 5.394 -5.732 -11.291 1.00 15.04 C ATOM 0 H THR A 47 6.964 -3.658 -14.055 1.00 71.30 H new ATOM 0 HA THR A 47 7.673 -5.733 -12.310 1.00 12.21 H new ATOM 0 HB THR A 47 4.924 -5.827 -13.372 1.00 12.14 H new ATOM 0 HG1 THR A 47 4.412 -3.696 -12.537 1.00 33.50 H new ATOM 0 HG21 THR A 47 4.369 -5.517 -10.988 1.00 15.04 H new ATOM 0 HG22 THR A 47 5.576 -6.804 -11.221 1.00 15.04 H new ATOM 0 HG23 THR A 47 6.085 -5.203 -10.634 1.00 15.04 H new ATOM 745 N GLU A 48 6.981 -6.618 -15.369 1.00 20.10 N ATOM 746 CA GLU A 48 6.974 -7.733 -16.309 1.00 4.20 C ATOM 747 C GLU A 48 8.175 -8.646 -16.079 1.00 5.41 C ATOM 748 O GLU A 48 8.026 -9.858 -15.931 1.00 22.22 O ATOM 749 CB GLU A 48 6.982 -7.215 -17.749 1.00 1.23 C ATOM 750 CG GLU A 48 6.780 -8.304 -18.789 1.00 35.14 C ATOM 751 CD GLU A 48 8.068 -9.022 -19.140 1.00 42.32 C ATOM 752 OE1 GLU A 48 8.925 -8.409 -19.811 1.00 20.41 O ATOM 753 OE2 GLU A 48 8.219 -10.196 -18.744 1.00 24.51 O ATOM 0 H GLU A 48 6.931 -5.698 -15.806 1.00 20.10 H new ATOM 0 HA GLU A 48 6.064 -8.309 -16.143 1.00 4.20 H new ATOM 0 HB2 GLU A 48 6.197 -6.467 -17.861 1.00 1.23 H new ATOM 0 HB3 GLU A 48 7.930 -6.713 -17.940 1.00 1.23 H new ATOM 0 HG2 GLU A 48 6.055 -9.028 -18.416 1.00 35.14 H new ATOM 0 HG3 GLU A 48 6.356 -7.865 -19.692 1.00 35.14 H new ATOM 760 N GLN A 49 9.365 -8.053 -16.051 1.00 72.11 N ATOM 761 CA GLN A 49 10.591 -8.813 -15.841 1.00 5.24 C ATOM 762 C GLN A 49 10.696 -9.288 -14.395 1.00 70.32 C ATOM 763 O GLN A 49 11.368 -10.279 -14.103 1.00 54.24 O ATOM 764 CB GLN A 49 11.811 -7.962 -16.200 1.00 21.34 C ATOM 765 CG GLN A 49 11.867 -6.635 -15.460 1.00 35.41 C ATOM 766 CD GLN A 49 13.282 -6.120 -15.292 1.00 2.24 C ATOM 767 OE1 GLN A 49 14.140 -6.800 -14.728 1.00 10.12 O ATOM 768 NE2 GLN A 49 13.535 -4.911 -15.781 1.00 75.50 N ATOM 0 H GLN A 49 9.505 -7.050 -16.171 1.00 72.11 H new ATOM 0 HA GLN A 49 10.562 -9.688 -16.491 1.00 5.24 H new ATOM 0 HB2 GLN A 49 12.716 -8.529 -15.981 1.00 21.34 H new ATOM 0 HB3 GLN A 49 11.807 -7.770 -17.273 1.00 21.34 H new ATOM 0 HG2 GLN A 49 11.277 -5.896 -16.002 1.00 35.41 H new ATOM 0 HG3 GLN A 49 11.408 -6.751 -14.478 1.00 35.41 H new ATOM 0 HE21 GLN A 49 12.794 -4.382 -16.241 1.00 75.50 H new ATOM 0 HE22 GLN A 49 14.470 -4.512 -15.696 1.00 75.50 H new ATOM 777 N LEU A 50 10.028 -8.576 -13.494 1.00 25.51 N ATOM 778 CA LEU A 50 10.046 -8.925 -12.078 1.00 23.55 C ATOM 779 C LEU A 50 9.678 -10.392 -11.873 1.00 43.43 C ATOM 780 O LEU A 50 10.483 -11.180 -11.379 1.00 44.10 O ATOM 781 CB LEU A 50 9.079 -8.032 -11.300 1.00 13.23 C ATOM 782 CG LEU A 50 9.322 -7.931 -9.793 1.00 51.45 C ATOM 783 CD1 LEU A 50 10.665 -7.276 -9.513 1.00 4.35 C ATOM 784 CD2 LEU A 50 8.198 -7.155 -9.123 1.00 13.14 C ATOM 0 H LEU A 50 9.467 -7.754 -13.719 1.00 25.51 H new ATOM 0 HA LEU A 50 11.058 -8.768 -11.704 1.00 23.55 H new ATOM 0 HB2 LEU A 50 9.123 -7.028 -11.723 1.00 13.23 H new ATOM 0 HB3 LEU A 50 8.066 -8.401 -11.460 1.00 13.23 H new ATOM 0 HG LEU A 50 9.338 -8.939 -9.378 1.00 51.45 H new ATOM 0 HD11 LEU A 50 10.821 -7.212 -8.436 1.00 4.35 H new ATOM 0 HD12 LEU A 50 11.461 -7.872 -9.961 1.00 4.35 H new ATOM 0 HD13 LEU A 50 10.677 -6.274 -9.941 1.00 4.35 H new ATOM 0 HD21 LEU A 50 8.387 -7.093 -8.051 1.00 13.14 H new ATOM 0 HD22 LEU A 50 8.150 -6.150 -9.542 1.00 13.14 H new ATOM 0 HD23 LEU A 50 7.250 -7.666 -9.295 1.00 13.14 H new ATOM 796 N GLU A 51 8.457 -10.749 -12.259 1.00 65.32 N ATOM 797 CA GLU A 51 7.984 -12.121 -12.119 1.00 62.52 C ATOM 798 C GLU A 51 8.837 -13.078 -12.947 1.00 24.41 C ATOM 799 O GLU A 51 9.022 -14.238 -12.579 1.00 62.53 O ATOM 800 CB GLU A 51 6.519 -12.226 -12.548 1.00 43.55 C ATOM 801 CG GLU A 51 5.589 -11.313 -11.766 1.00 25.40 C ATOM 802 CD GLU A 51 5.205 -11.890 -10.417 1.00 61.44 C ATOM 803 OE1 GLU A 51 6.002 -11.757 -9.465 1.00 52.33 O ATOM 804 OE2 GLU A 51 4.106 -12.476 -10.315 1.00 5.44 O ATOM 0 H GLU A 51 7.778 -10.108 -12.670 1.00 65.32 H new ATOM 0 HA GLU A 51 8.069 -12.401 -11.069 1.00 62.52 H new ATOM 0 HB2 GLU A 51 6.442 -11.987 -13.609 1.00 43.55 H new ATOM 0 HB3 GLU A 51 6.187 -13.257 -12.429 1.00 43.55 H new ATOM 0 HG2 GLU A 51 6.072 -10.347 -11.620 1.00 25.40 H new ATOM 0 HG3 GLU A 51 4.687 -11.133 -12.350 1.00 25.40 H new ATOM 811 N SER A 52 9.354 -12.583 -14.067 1.00 23.01 N ATOM 812 CA SER A 52 10.184 -13.394 -14.950 1.00 22.22 C ATOM 813 C SER A 52 11.452 -13.851 -14.235 1.00 63.31 C ATOM 814 O SER A 52 11.941 -14.958 -14.462 1.00 41.04 O ATOM 815 CB SER A 52 10.551 -12.605 -16.208 1.00 13.41 C ATOM 816 OG SER A 52 11.303 -13.400 -17.108 1.00 1.41 O ATOM 0 H SER A 52 9.213 -11.624 -14.384 1.00 23.01 H new ATOM 0 HA SER A 52 9.611 -14.276 -15.237 1.00 22.22 H new ATOM 0 HB2 SER A 52 9.643 -12.255 -16.699 1.00 13.41 H new ATOM 0 HB3 SER A 52 11.126 -11.721 -15.932 1.00 13.41 H new ATOM 0 HG SER A 52 11.524 -12.873 -17.904 1.00 1.41 H new ATOM 822 N TRP A 53 11.979 -12.991 -13.371 1.00 62.32 N ATOM 823 CA TRP A 53 13.191 -13.306 -12.622 1.00 52.35 C ATOM 824 C TRP A 53 12.980 -14.526 -11.734 1.00 30.43 C ATOM 825 O TRP A 53 13.744 -15.490 -11.794 1.00 41.13 O ATOM 826 CB TRP A 53 13.615 -12.107 -11.772 1.00 32.20 C ATOM 827 CG TRP A 53 14.512 -12.477 -10.630 1.00 22.11 C ATOM 828 CD1 TRP A 53 14.317 -12.193 -9.309 1.00 14.24 C ATOM 829 CD2 TRP A 53 15.747 -13.198 -10.709 1.00 12.21 C ATOM 830 NE1 TRP A 53 15.355 -12.693 -8.561 1.00 64.33 N ATOM 831 CE2 TRP A 53 16.245 -13.315 -9.397 1.00 24.04 C ATOM 832 CE3 TRP A 53 16.479 -13.757 -11.760 1.00 34.23 C ATOM 833 CZ2 TRP A 53 17.442 -13.967 -9.111 1.00 33.33 C ATOM 834 CZ3 TRP A 53 17.666 -14.404 -11.474 1.00 50.13 C ATOM 835 CH2 TRP A 53 18.138 -14.506 -10.159 1.00 13.52 C ATOM 0 H TRP A 53 11.587 -12.071 -13.172 1.00 62.32 H new ATOM 0 HA TRP A 53 13.982 -13.533 -13.337 1.00 52.35 H new ATOM 0 HB2 TRP A 53 14.126 -11.383 -12.407 1.00 32.20 H new ATOM 0 HB3 TRP A 53 12.725 -11.615 -11.381 1.00 32.20 H new ATOM 0 HD1 TRP A 53 13.470 -11.654 -8.910 1.00 14.24 H new ATOM 0 HE1 TRP A 53 15.448 -12.614 -7.548 1.00 64.33 H new ATOM 0 HE3 TRP A 53 16.123 -13.685 -12.777 1.00 34.23 H new ATOM 0 HZ2 TRP A 53 17.808 -14.045 -8.098 1.00 33.33 H new ATOM 0 HZ3 TRP A 53 18.240 -14.839 -12.279 1.00 50.13 H new ATOM 0 HH2 TRP A 53 19.069 -15.020 -9.969 1.00 13.52 H new ATOM 846 N PHE A 54 11.939 -14.480 -10.909 1.00 2.23 N ATOM 847 CA PHE A 54 11.629 -15.583 -10.006 1.00 52.45 C ATOM 848 C PHE A 54 10.983 -16.740 -10.764 1.00 3.54 C ATOM 849 O PHE A 54 10.754 -17.812 -10.203 1.00 52.50 O ATOM 850 CB PHE A 54 10.699 -15.108 -8.888 1.00 73.11 C ATOM 851 CG PHE A 54 10.341 -16.188 -7.907 1.00 42.12 C ATOM 852 CD1 PHE A 54 11.242 -16.581 -6.931 1.00 23.32 C ATOM 853 CD2 PHE A 54 9.104 -16.809 -7.961 1.00 31.20 C ATOM 854 CE1 PHE A 54 10.916 -17.575 -6.028 1.00 20.24 C ATOM 855 CE2 PHE A 54 8.772 -17.804 -7.060 1.00 51.41 C ATOM 856 CZ PHE A 54 9.679 -18.186 -6.091 1.00 71.25 C ATOM 0 H PHE A 54 11.296 -13.691 -10.847 1.00 2.23 H new ATOM 0 HA PHE A 54 12.563 -15.935 -9.567 1.00 52.45 H new ATOM 0 HB2 PHE A 54 11.176 -14.286 -8.354 1.00 73.11 H new ATOM 0 HB3 PHE A 54 9.785 -14.712 -9.330 1.00 73.11 H new ATOM 0 HD1 PHE A 54 12.210 -16.105 -6.875 1.00 23.32 H new ATOM 0 HD2 PHE A 54 8.391 -16.513 -8.716 1.00 31.20 H new ATOM 0 HE1 PHE A 54 11.628 -17.874 -5.273 1.00 20.24 H new ATOM 0 HE2 PHE A 54 7.805 -18.282 -7.114 1.00 51.41 H new ATOM 0 HZ PHE A 54 9.421 -18.961 -5.384 1.00 71.25 H new ATOM 866 N TYR A 55 10.692 -16.514 -12.040 1.00 25.21 N ATOM 867 CA TYR A 55 10.071 -17.536 -12.874 1.00 53.31 C ATOM 868 C TYR A 55 11.004 -17.959 -14.004 1.00 24.11 C ATOM 869 O TYR A 55 11.057 -17.320 -15.054 1.00 11.13 O ATOM 870 CB TYR A 55 8.753 -17.018 -13.453 1.00 71.33 C ATOM 871 CG TYR A 55 7.881 -18.106 -14.039 1.00 14.41 C ATOM 872 CD1 TYR A 55 8.302 -18.846 -15.136 1.00 60.51 C ATOM 873 CD2 TYR A 55 6.635 -18.393 -13.494 1.00 51.31 C ATOM 874 CE1 TYR A 55 7.508 -19.840 -15.675 1.00 32.23 C ATOM 875 CE2 TYR A 55 5.835 -19.386 -14.025 1.00 54.42 C ATOM 876 CZ TYR A 55 6.275 -20.106 -15.116 1.00 22.23 C ATOM 877 OH TYR A 55 5.482 -21.096 -15.648 1.00 72.24 O ATOM 0 H TYR A 55 10.876 -15.633 -12.519 1.00 25.21 H new ATOM 0 HA TYR A 55 9.870 -18.406 -12.249 1.00 53.31 H new ATOM 0 HB2 TYR A 55 8.199 -16.503 -12.669 1.00 71.33 H new ATOM 0 HB3 TYR A 55 8.970 -16.281 -14.227 1.00 71.33 H new ATOM 0 HD1 TYR A 55 9.267 -18.641 -15.576 1.00 60.51 H new ATOM 0 HD2 TYR A 55 6.286 -17.830 -12.641 1.00 51.31 H new ATOM 0 HE1 TYR A 55 7.851 -20.405 -16.529 1.00 32.23 H new ATOM 0 HE2 TYR A 55 4.870 -19.597 -13.588 1.00 54.42 H new ATOM 0 HH TYR A 55 4.648 -21.156 -15.138 1.00 72.24 H new ATOM 887 N GLY A 56 11.740 -19.044 -13.780 1.00 5.53 N ATOM 888 CA GLY A 56 12.662 -19.536 -14.787 1.00 3.53 C ATOM 889 C GLY A 56 13.974 -20.007 -14.191 1.00 71.51 C ATOM 890 O GLY A 56 14.741 -20.717 -14.843 1.00 42.44 O ATOM 0 H GLY A 56 11.714 -19.591 -12.919 1.00 5.53 H new ATOM 0 HA2 GLY A 56 12.197 -20.359 -15.330 1.00 3.53 H new ATOM 0 HA3 GLY A 56 12.859 -18.746 -15.512 1.00 3.53 H new ATOM 894 N LEU A 57 14.234 -19.613 -12.950 1.00 12.25 N ATOM 895 CA LEU A 57 15.463 -19.999 -12.266 1.00 2.34 C ATOM 896 C LEU A 57 15.676 -21.507 -12.339 1.00 25.24 C ATOM 897 O LEU A 57 14.739 -22.283 -12.526 1.00 21.11 O ATOM 898 CB LEU A 57 15.420 -19.548 -10.804 1.00 61.34 C ATOM 899 CG LEU A 57 15.670 -18.061 -10.553 1.00 15.21 C ATOM 900 CD1 LEU A 57 15.000 -17.618 -9.261 1.00 22.30 C ATOM 901 CD2 LEU A 57 17.163 -17.770 -10.509 1.00 34.43 C ATOM 0 H LEU A 57 13.610 -19.026 -12.396 1.00 12.25 H new ATOM 0 HA LEU A 57 16.298 -19.508 -12.767 1.00 2.34 H new ATOM 0 HB2 LEU A 57 14.444 -19.806 -10.394 1.00 61.34 H new ATOM 0 HB3 LEU A 57 16.162 -20.120 -10.246 1.00 61.34 H new ATOM 0 HG LEU A 57 15.235 -17.495 -11.377 1.00 15.21 H new ATOM 0 HD11 LEU A 57 15.189 -16.557 -9.099 1.00 22.30 H new ATOM 0 HD12 LEU A 57 13.926 -17.789 -9.331 1.00 22.30 H new ATOM 0 HD13 LEU A 57 15.405 -18.190 -8.426 1.00 22.30 H new ATOM 0 HD21 LEU A 57 17.321 -16.707 -10.329 1.00 34.43 H new ATOM 0 HD22 LEU A 57 17.622 -18.346 -9.706 1.00 34.43 H new ATOM 0 HD23 LEU A 57 17.616 -18.049 -11.460 1.00 34.43 H new ATOM 913 N PRO A 58 16.939 -21.935 -12.185 1.00 55.21 N ATOM 914 CA PRO A 58 17.304 -23.354 -12.227 1.00 42.20 C ATOM 915 C PRO A 58 16.793 -24.120 -11.012 1.00 20.21 C ATOM 916 O PRO A 58 16.870 -25.347 -10.962 1.00 71.13 O ATOM 917 CB PRO A 58 18.835 -23.326 -12.236 1.00 54.55 C ATOM 918 CG PRO A 58 19.194 -22.035 -11.585 1.00 53.45 C ATOM 919 CD PRO A 58 18.106 -21.066 -11.958 1.00 54.04 C ATOM 0 HA PRO A 58 16.868 -23.862 -13.087 1.00 42.20 H new ATOM 0 HB2 PRO A 58 19.250 -24.173 -11.690 1.00 54.55 H new ATOM 0 HB3 PRO A 58 19.226 -23.379 -13.252 1.00 54.55 H new ATOM 0 HG2 PRO A 58 19.261 -22.149 -10.503 1.00 53.45 H new ATOM 0 HG3 PRO A 58 20.166 -21.682 -11.929 1.00 53.45 H new ATOM 0 HD2 PRO A 58 17.921 -20.344 -11.163 1.00 54.04 H new ATOM 0 HD3 PRO A 58 18.363 -20.497 -12.851 1.00 54.04 H new ATOM 927 N GLY A 59 16.270 -23.388 -10.033 1.00 23.02 N ATOM 928 CA GLY A 59 15.754 -24.017 -8.831 1.00 52.31 C ATOM 929 C GLY A 59 14.258 -24.252 -8.897 1.00 71.42 C ATOM 930 O GLY A 59 13.527 -23.477 -9.513 1.00 40.41 O ATOM 0 H GLY A 59 16.194 -22.371 -10.051 1.00 23.02 H new ATOM 0 HA2 GLY A 59 16.262 -24.969 -8.676 1.00 52.31 H new ATOM 0 HA3 GLY A 59 15.983 -23.390 -7.969 1.00 52.31 H new ATOM 934 N SER A 60 13.801 -25.327 -8.262 1.00 61.25 N ATOM 935 CA SER A 60 12.383 -25.666 -8.256 1.00 72.25 C ATOM 936 C SER A 60 11.987 -26.322 -6.937 1.00 55.30 C ATOM 937 O SER A 60 12.778 -27.036 -6.323 1.00 61.14 O ATOM 938 CB SER A 60 12.055 -26.601 -9.422 1.00 64.42 C ATOM 939 OG SER A 60 10.663 -26.623 -9.683 1.00 13.10 O ATOM 0 H SER A 60 14.392 -25.978 -7.745 1.00 61.25 H new ATOM 0 HA SER A 60 11.814 -24.743 -8.368 1.00 72.25 H new ATOM 0 HB2 SER A 60 12.590 -26.276 -10.314 1.00 64.42 H new ATOM 0 HB3 SER A 60 12.401 -27.609 -9.192 1.00 64.42 H new ATOM 0 HG SER A 60 10.480 -27.226 -10.433 1.00 13.10 H new ATOM 945 N GLY A 61 10.753 -26.072 -6.506 1.00 65.42 N ATOM 946 CA GLY A 61 10.272 -26.645 -5.263 1.00 3.25 C ATOM 947 C GLY A 61 11.210 -26.379 -4.101 1.00 74.32 C ATOM 948 O GLY A 61 11.997 -27.246 -3.718 1.00 50.33 O ATOM 0 H GLY A 61 10.079 -25.483 -6.996 1.00 65.42 H new ATOM 0 HA2 GLY A 61 9.289 -26.234 -5.034 1.00 3.25 H new ATOM 0 HA3 GLY A 61 10.147 -27.721 -5.387 1.00 3.25 H new ATOM 952 N LEU A 62 11.127 -25.178 -3.540 1.00 24.25 N ATOM 953 CA LEU A 62 11.976 -24.800 -2.415 1.00 44.33 C ATOM 954 C LEU A 62 13.452 -24.943 -2.775 1.00 11.23 C ATOM 955 O LEU A 62 14.302 -25.098 -1.899 1.00 63.24 O ATOM 956 CB LEU A 62 11.652 -25.660 -1.193 1.00 73.20 C ATOM 957 CG LEU A 62 10.260 -25.469 -0.588 1.00 63.43 C ATOM 958 CD1 LEU A 62 9.290 -26.499 -1.146 1.00 51.24 C ATOM 959 CD2 LEU A 62 10.322 -25.559 0.930 1.00 75.45 C ATOM 0 H LEU A 62 10.481 -24.450 -3.845 1.00 24.25 H new ATOM 0 HA LEU A 62 11.778 -23.755 -2.178 1.00 44.33 H new ATOM 0 HB2 LEU A 62 11.765 -26.708 -1.471 1.00 73.20 H new ATOM 0 HB3 LEU A 62 12.393 -25.453 -0.421 1.00 73.20 H new ATOM 0 HG LEU A 62 9.899 -24.477 -0.859 1.00 63.43 H new ATOM 0 HD11 LEU A 62 8.305 -26.348 -0.704 1.00 51.24 H new ATOM 0 HD12 LEU A 62 9.224 -26.387 -2.228 1.00 51.24 H new ATOM 0 HD13 LEU A 62 9.645 -27.501 -0.906 1.00 51.24 H new ATOM 0 HD21 LEU A 62 9.323 -25.421 1.344 1.00 75.45 H new ATOM 0 HD22 LEU A 62 10.703 -26.538 1.221 1.00 75.45 H new ATOM 0 HD23 LEU A 62 10.984 -24.783 1.314 1.00 75.45 H new ATOM 971 N GLY A 63 13.748 -24.887 -4.070 1.00 25.33 N ATOM 972 CA GLY A 63 15.122 -25.010 -4.522 1.00 71.31 C ATOM 973 C GLY A 63 15.689 -23.695 -5.018 1.00 10.00 C ATOM 974 O GLY A 63 16.865 -23.399 -4.805 1.00 13.52 O ATOM 0 H GLY A 63 13.062 -24.759 -4.814 1.00 25.33 H new ATOM 0 HA2 GLY A 63 15.738 -25.382 -3.704 1.00 71.31 H new ATOM 0 HA3 GLY A 63 15.173 -25.749 -5.322 1.00 71.31 H new ATOM 978 N ARG A 64 14.852 -22.905 -5.683 1.00 4.21 N ATOM 979 CA ARG A 64 15.278 -21.615 -6.213 1.00 61.22 C ATOM 980 C ARG A 64 15.446 -20.595 -5.091 1.00 51.33 C ATOM 981 O ARG A 64 16.161 -19.604 -5.242 1.00 51.45 O ATOM 982 CB ARG A 64 14.265 -21.101 -7.237 1.00 74.23 C ATOM 983 CG ARG A 64 13.017 -20.500 -6.611 1.00 3.43 C ATOM 984 CD ARG A 64 11.824 -20.589 -7.549 1.00 30.10 C ATOM 985 NE ARG A 64 10.897 -21.647 -7.156 1.00 60.12 N ATOM 986 CZ ARG A 64 9.964 -22.143 -7.961 1.00 53.41 C ATOM 987 NH1 ARG A 64 9.834 -21.679 -9.196 1.00 43.53 N ATOM 988 NH2 ARG A 64 9.158 -23.105 -7.531 1.00 14.21 N ATOM 0 H ARG A 64 13.876 -23.135 -5.867 1.00 4.21 H new ATOM 0 HA ARG A 64 16.242 -21.752 -6.703 1.00 61.22 H new ATOM 0 HB2 ARG A 64 14.745 -20.349 -7.864 1.00 74.23 H new ATOM 0 HB3 ARG A 64 13.973 -21.923 -7.891 1.00 74.23 H new ATOM 0 HG2 ARG A 64 12.789 -21.020 -5.681 1.00 3.43 H new ATOM 0 HG3 ARG A 64 13.203 -19.457 -6.356 1.00 3.43 H new ATOM 0 HD2 ARG A 64 11.300 -19.633 -7.560 1.00 30.10 H new ATOM 0 HD3 ARG A 64 12.174 -20.773 -8.565 1.00 30.10 H new ATOM 0 HE ARG A 64 10.970 -22.026 -6.212 1.00 60.12 H new ATOM 0 HH11 ARG A 64 10.451 -20.939 -9.530 1.00 43.53 H new ATOM 0 HH12 ARG A 64 9.117 -22.062 -9.812 1.00 43.53 H new ATOM 0 HH21 ARG A 64 9.254 -23.465 -6.581 1.00 14.21 H new ATOM 0 HH22 ARG A 64 8.442 -23.485 -8.150 1.00 14.21 H new ATOM 1002 N ILE A 65 14.782 -20.844 -3.968 1.00 22.04 N ATOM 1003 CA ILE A 65 14.859 -19.947 -2.821 1.00 34.51 C ATOM 1004 C ILE A 65 16.308 -19.646 -2.454 1.00 72.03 C ATOM 1005 O ILE A 65 16.610 -18.594 -1.892 1.00 34.12 O ATOM 1006 CB ILE A 65 14.143 -20.541 -1.593 1.00 62.51 C ATOM 1007 CG1 ILE A 65 12.706 -20.926 -1.950 1.00 31.22 C ATOM 1008 CG2 ILE A 65 14.161 -19.551 -0.439 1.00 2.42 C ATOM 1009 CD1 ILE A 65 11.864 -19.757 -2.412 1.00 24.24 C ATOM 0 H ILE A 65 14.185 -21.659 -3.827 1.00 22.04 H new ATOM 0 HA ILE A 65 14.361 -19.022 -3.110 1.00 34.51 H new ATOM 0 HB ILE A 65 14.673 -21.441 -1.282 1.00 62.51 H new ATOM 0 HG12 ILE A 65 12.725 -21.682 -2.735 1.00 31.22 H new ATOM 0 HG13 ILE A 65 12.234 -21.382 -1.080 1.00 31.22 H new ATOM 0 HG21 ILE A 65 13.651 -19.985 0.421 1.00 2.42 H new ATOM 0 HG22 ILE A 65 15.193 -19.322 -0.172 1.00 2.42 H new ATOM 0 HG23 ILE A 65 13.652 -18.635 -0.738 1.00 2.42 H new ATOM 0 HD11 ILE A 65 10.858 -20.104 -2.648 1.00 24.24 H new ATOM 0 HD12 ILE A 65 11.814 -19.009 -1.620 1.00 24.24 H new ATOM 0 HD13 ILE A 65 12.313 -19.314 -3.301 1.00 24.24 H new ATOM 1021 N GLU A 66 17.200 -20.576 -2.779 1.00 24.11 N ATOM 1022 CA GLU A 66 18.619 -20.409 -2.484 1.00 53.32 C ATOM 1023 C GLU A 66 19.329 -19.683 -3.623 1.00 60.13 C ATOM 1024 O GLU A 66 20.290 -18.948 -3.401 1.00 61.11 O ATOM 1025 CB GLU A 66 19.276 -21.769 -2.243 1.00 22.11 C ATOM 1026 CG GLU A 66 19.508 -22.567 -3.515 1.00 23.22 C ATOM 1027 CD GLU A 66 19.384 -24.063 -3.296 1.00 54.51 C ATOM 1028 OE1 GLU A 66 19.564 -24.510 -2.144 1.00 70.01 O ATOM 1029 OE2 GLU A 66 19.106 -24.785 -4.276 1.00 43.10 O ATOM 0 H GLU A 66 16.966 -21.452 -3.246 1.00 24.11 H new ATOM 0 HA GLU A 66 18.708 -19.806 -1.580 1.00 53.32 H new ATOM 0 HB2 GLU A 66 20.231 -21.618 -1.740 1.00 22.11 H new ATOM 0 HB3 GLU A 66 18.649 -22.351 -1.568 1.00 22.11 H new ATOM 0 HG2 GLU A 66 18.789 -22.254 -4.272 1.00 23.22 H new ATOM 0 HG3 GLU A 66 20.501 -22.342 -3.905 1.00 23.22 H new ATOM 1036 N ASN A 67 18.848 -19.896 -4.844 1.00 22.41 N ATOM 1037 CA ASN A 67 19.437 -19.264 -6.019 1.00 23.13 C ATOM 1038 C ASN A 67 19.010 -17.803 -6.122 1.00 74.33 C ATOM 1039 O ASN A 67 19.847 -16.903 -6.168 1.00 52.42 O ATOM 1040 CB ASN A 67 19.031 -20.017 -7.287 1.00 33.41 C ATOM 1041 CG ASN A 67 19.889 -21.243 -7.532 1.00 24.13 C ATOM 1042 OD1 ASN A 67 19.891 -22.183 -6.736 1.00 42.51 O ATOM 1043 ND2 ASN A 67 20.625 -21.239 -8.637 1.00 42.52 N ATOM 0 H ASN A 67 18.052 -20.501 -5.045 1.00 22.41 H new ATOM 0 HA ASN A 67 20.521 -19.301 -5.915 1.00 23.13 H new ATOM 0 HB2 ASN A 67 17.986 -20.318 -7.209 1.00 33.41 H new ATOM 0 HB3 ASN A 67 19.106 -19.347 -8.144 1.00 33.41 H new ATOM 0 HD21 ASN A 67 21.223 -22.036 -8.854 1.00 42.52 H new ATOM 0 HD22 ASN A 67 20.592 -20.439 -9.269 1.00 42.52 H new ATOM 1050 N ALA A 68 17.700 -17.577 -6.158 1.00 5.11 N ATOM 1051 CA ALA A 68 17.161 -16.226 -6.253 1.00 62.02 C ATOM 1052 C ALA A 68 17.651 -15.357 -5.100 1.00 41.21 C ATOM 1053 O ALA A 68 18.129 -14.242 -5.310 1.00 61.42 O ATOM 1054 CB ALA A 68 15.640 -16.265 -6.278 1.00 24.40 C ATOM 0 H ALA A 68 16.993 -18.312 -6.123 1.00 5.11 H new ATOM 0 HA ALA A 68 17.517 -15.784 -7.183 1.00 62.02 H new ATOM 0 HB1 ALA A 68 15.251 -15.249 -6.349 1.00 24.40 H new ATOM 0 HB2 ALA A 68 15.305 -16.843 -7.139 1.00 24.40 H new ATOM 0 HB3 ALA A 68 15.273 -16.731 -5.363 1.00 24.40 H new ATOM 1060 N MET A 69 17.528 -15.874 -3.882 1.00 0.52 N ATOM 1061 CA MET A 69 17.959 -15.144 -2.695 1.00 42.53 C ATOM 1062 C MET A 69 19.441 -14.792 -2.782 1.00 20.01 C ATOM 1063 O MET A 69 19.826 -13.637 -2.605 1.00 54.00 O ATOM 1064 CB MET A 69 17.692 -15.971 -1.436 1.00 40.43 C ATOM 1065 CG MET A 69 18.122 -15.279 -0.153 1.00 31.44 C ATOM 1066 SD MET A 69 16.812 -15.236 1.085 1.00 32.55 S ATOM 1067 CE MET A 69 16.750 -16.959 1.573 1.00 53.04 C ATOM 0 H MET A 69 17.134 -16.795 -3.691 1.00 0.52 H new ATOM 0 HA MET A 69 17.386 -14.218 -2.640 1.00 42.53 H new ATOM 0 HB2 MET A 69 16.627 -16.197 -1.378 1.00 40.43 H new ATOM 0 HB3 MET A 69 18.216 -16.923 -1.519 1.00 40.43 H new ATOM 0 HG2 MET A 69 18.990 -15.794 0.260 1.00 31.44 H new ATOM 0 HG3 MET A 69 18.434 -14.260 -0.381 1.00 31.44 H new ATOM 0 HE1 MET A 69 15.717 -17.305 1.556 1.00 53.04 H new ATOM 0 HE2 MET A 69 17.344 -17.555 0.880 1.00 53.04 H new ATOM 0 HE3 MET A 69 17.152 -17.066 2.581 1.00 53.04 H new ATOM 1077 N ASN A 70 20.268 -15.796 -3.055 1.00 31.11 N ATOM 1078 CA ASN A 70 21.708 -15.592 -3.164 1.00 31.41 C ATOM 1079 C ASN A 70 22.039 -14.666 -4.330 1.00 25.11 C ATOM 1080 O ASN A 70 23.131 -14.101 -4.395 1.00 73.21 O ATOM 1081 CB ASN A 70 22.422 -16.934 -3.345 1.00 15.35 C ATOM 1082 CG ASN A 70 23.929 -16.783 -3.404 1.00 44.11 C ATOM 1083 OD1 ASN A 70 24.565 -16.397 -2.423 1.00 30.32 O ATOM 1084 ND2 ASN A 70 24.509 -17.087 -4.559 1.00 60.15 N ATOM 0 H ASN A 70 19.966 -16.759 -3.205 1.00 31.11 H new ATOM 0 HA ASN A 70 22.055 -15.125 -2.242 1.00 31.41 H new ATOM 0 HB2 ASN A 70 22.158 -17.597 -2.521 1.00 15.35 H new ATOM 0 HB3 ASN A 70 22.071 -17.409 -4.261 1.00 15.35 H new ATOM 0 HD21 ASN A 70 25.521 -17.004 -4.659 1.00 60.15 H new ATOM 0 HD22 ASN A 70 23.943 -17.403 -5.346 1.00 60.15 H new ATOM 1091 N GLU A 71 21.090 -14.515 -5.248 1.00 35.44 N ATOM 1092 CA GLU A 71 21.282 -13.658 -6.411 1.00 54.31 C ATOM 1093 C GLU A 71 20.897 -12.216 -6.093 1.00 51.44 C ATOM 1094 O GLU A 71 21.552 -11.274 -6.542 1.00 73.34 O ATOM 1095 CB GLU A 71 20.454 -14.169 -7.592 1.00 32.51 C ATOM 1096 CG GLU A 71 21.268 -14.941 -8.617 1.00 31.11 C ATOM 1097 CD GLU A 71 21.570 -14.123 -9.857 1.00 44.03 C ATOM 1098 OE1 GLU A 71 22.253 -13.085 -9.732 1.00 52.13 O ATOM 1099 OE2 GLU A 71 21.124 -14.522 -10.954 1.00 2.14 O ATOM 0 H GLU A 71 20.181 -14.975 -5.209 1.00 35.44 H new ATOM 0 HA GLU A 71 22.338 -13.684 -6.679 1.00 54.31 H new ATOM 0 HB2 GLU A 71 19.657 -14.810 -7.216 1.00 32.51 H new ATOM 0 HB3 GLU A 71 19.976 -13.322 -8.084 1.00 32.51 H new ATOM 0 HG2 GLU A 71 22.204 -15.265 -8.163 1.00 31.11 H new ATOM 0 HG3 GLU A 71 20.725 -15.841 -8.904 1.00 31.11 H new ATOM 1106 N ILE A 72 19.831 -12.051 -5.317 1.00 61.12 N ATOM 1107 CA ILE A 72 19.360 -10.725 -4.939 1.00 15.20 C ATOM 1108 C ILE A 72 20.140 -10.183 -3.746 1.00 32.40 C ATOM 1109 O ILE A 72 20.200 -8.973 -3.528 1.00 30.41 O ATOM 1110 CB ILE A 72 17.859 -10.738 -4.593 1.00 72.31 C ATOM 1111 CG1 ILE A 72 17.040 -11.209 -5.797 1.00 30.11 C ATOM 1112 CG2 ILE A 72 17.406 -9.357 -4.145 1.00 40.43 C ATOM 1113 CD1 ILE A 72 17.239 -10.359 -7.032 1.00 74.34 C ATOM 0 H ILE A 72 19.277 -12.819 -4.938 1.00 61.12 H new ATOM 0 HA ILE A 72 19.521 -10.076 -5.800 1.00 15.20 H new ATOM 0 HB ILE A 72 17.697 -11.436 -3.771 1.00 72.31 H new ATOM 0 HG12 ILE A 72 17.308 -12.240 -6.028 1.00 30.11 H new ATOM 0 HG13 ILE A 72 15.983 -11.207 -5.531 1.00 30.11 H new ATOM 0 HG21 ILE A 72 16.343 -9.383 -3.904 1.00 40.43 H new ATOM 0 HG22 ILE A 72 17.971 -9.057 -3.262 1.00 40.43 H new ATOM 0 HG23 ILE A 72 17.579 -8.639 -4.947 1.00 40.43 H new ATOM 0 HD11 ILE A 72 16.628 -10.751 -7.846 1.00 74.34 H new ATOM 0 HD12 ILE A 72 16.943 -9.332 -6.818 1.00 74.34 H new ATOM 0 HD13 ILE A 72 18.289 -10.381 -7.323 1.00 74.34 H new ATOM 1125 N SER A 73 20.738 -11.088 -2.977 1.00 51.12 N ATOM 1126 CA SER A 73 21.514 -10.702 -1.804 1.00 54.45 C ATOM 1127 C SER A 73 22.847 -10.085 -2.214 1.00 45.15 C ATOM 1128 O SER A 73 23.500 -9.406 -1.421 1.00 53.23 O ATOM 1129 CB SER A 73 21.755 -11.915 -0.904 1.00 41.22 C ATOM 1130 OG SER A 73 22.050 -11.515 0.423 1.00 44.43 O ATOM 0 H SER A 73 20.700 -12.093 -3.145 1.00 51.12 H new ATOM 0 HA SER A 73 20.944 -9.956 -1.250 1.00 54.45 H new ATOM 0 HB2 SER A 73 20.872 -12.555 -0.907 1.00 41.22 H new ATOM 0 HB3 SER A 73 22.579 -12.508 -1.300 1.00 41.22 H new ATOM 0 HG SER A 73 22.612 -10.712 0.405 1.00 44.43 H new ATOM 1136 N ARG A 74 23.246 -10.327 -3.459 1.00 3.40 N ATOM 1137 CA ARG A 74 24.503 -9.797 -3.975 1.00 54.32 C ATOM 1138 C ARG A 74 24.593 -8.291 -3.745 1.00 20.01 C ATOM 1139 O ARG A 74 25.386 -7.825 -2.927 1.00 45.32 O ATOM 1140 CB ARG A 74 24.635 -10.104 -5.468 1.00 23.01 C ATOM 1141 CG ARG A 74 24.615 -11.590 -5.788 1.00 3.20 C ATOM 1142 CD ARG A 74 25.906 -12.270 -5.358 1.00 50.44 C ATOM 1143 NE ARG A 74 26.215 -13.432 -6.187 1.00 53.34 N ATOM 1144 CZ ARG A 74 27.343 -14.125 -6.090 1.00 25.13 C ATOM 1145 NH1 ARG A 74 28.265 -13.776 -5.203 1.00 45.43 N ATOM 1146 NH2 ARG A 74 27.552 -15.171 -6.879 1.00 55.13 N ATOM 0 H ARG A 74 22.717 -10.886 -4.128 1.00 3.40 H new ATOM 0 HA ARG A 74 25.320 -10.279 -3.438 1.00 54.32 H new ATOM 0 HB2 ARG A 74 23.822 -9.614 -6.004 1.00 23.01 H new ATOM 0 HB3 ARG A 74 25.566 -9.674 -5.838 1.00 23.01 H new ATOM 0 HG2 ARG A 74 23.770 -12.060 -5.285 1.00 3.20 H new ATOM 0 HG3 ARG A 74 24.467 -11.731 -6.859 1.00 3.20 H new ATOM 0 HD2 ARG A 74 26.728 -11.556 -5.414 1.00 50.44 H new ATOM 0 HD3 ARG A 74 25.823 -12.580 -4.316 1.00 50.44 H new ATOM 0 HE ARG A 74 25.526 -13.727 -6.879 1.00 53.34 H new ATOM 0 HH11 ARG A 74 28.108 -12.973 -4.593 1.00 45.43 H new ATOM 0 HH12 ARG A 74 29.131 -14.310 -5.130 1.00 45.43 H new ATOM 0 HH21 ARG A 74 26.845 -15.444 -7.562 1.00 55.13 H new ATOM 0 HH22 ARG A 74 28.420 -15.702 -6.803 1.00 55.13 H new ATOM 1160 N ARG A 75 23.775 -7.536 -4.472 1.00 24.33 N ATOM 1161 CA ARG A 75 23.764 -6.084 -4.348 1.00 44.30 C ATOM 1162 C ARG A 75 22.951 -5.648 -3.133 1.00 11.31 C ATOM 1163 O ARG A 75 21.808 -5.210 -3.264 1.00 44.02 O ATOM 1164 CB ARG A 75 23.190 -5.447 -5.615 1.00 30.01 C ATOM 1165 CG ARG A 75 23.297 -3.931 -5.637 1.00 30.00 C ATOM 1166 CD ARG A 75 23.432 -3.403 -7.057 1.00 12.35 C ATOM 1167 NE ARG A 75 22.182 -2.828 -7.548 1.00 22.13 N ATOM 1168 CZ ARG A 75 21.747 -1.619 -7.212 1.00 4.32 C ATOM 1169 NH1 ARG A 75 22.458 -0.860 -6.388 1.00 72.34 N ATOM 1170 NH2 ARG A 75 20.600 -1.166 -7.700 1.00 51.53 N ATOM 0 H ARG A 75 23.112 -7.906 -5.153 1.00 24.33 H new ATOM 0 HA ARG A 75 24.792 -5.748 -4.215 1.00 44.30 H new ATOM 0 HB2 ARG A 75 23.710 -5.852 -6.483 1.00 30.01 H new ATOM 0 HB3 ARG A 75 22.142 -5.730 -5.711 1.00 30.01 H new ATOM 0 HG2 ARG A 75 22.414 -3.496 -5.168 1.00 30.00 H new ATOM 0 HG3 ARG A 75 24.158 -3.617 -5.047 1.00 30.00 H new ATOM 0 HD2 ARG A 75 24.216 -2.647 -7.090 1.00 12.35 H new ATOM 0 HD3 ARG A 75 23.742 -4.213 -7.717 1.00 12.35 H new ATOM 0 HE ARG A 75 21.612 -3.386 -8.184 1.00 22.13 H new ATOM 0 HH11 ARG A 75 23.341 -1.205 -6.011 1.00 72.34 H new ATOM 0 HH12 ARG A 75 22.122 0.068 -6.132 1.00 72.34 H new ATOM 0 HH21 ARG A 75 20.051 -1.746 -8.334 1.00 51.53 H new ATOM 0 HH22 ARG A 75 20.267 -0.237 -7.441 1.00 51.53 H new ATOM 1184 N GLU A 76 23.548 -5.772 -1.952 1.00 2.52 N ATOM 1185 CA GLU A 76 22.878 -5.391 -0.714 1.00 32.41 C ATOM 1186 C GLU A 76 22.474 -3.920 -0.743 1.00 45.13 C ATOM 1187 O GLU A 76 23.165 -3.088 -1.331 1.00 35.11 O ATOM 1188 CB GLU A 76 23.787 -5.658 0.487 1.00 21.44 C ATOM 1189 CG GLU A 76 25.078 -4.857 0.464 1.00 15.41 C ATOM 1190 CD GLU A 76 26.195 -5.570 -0.272 1.00 74.32 C ATOM 1191 OE1 GLU A 76 26.219 -6.819 -0.246 1.00 12.32 O ATOM 1192 OE2 GLU A 76 27.044 -4.881 -0.874 1.00 62.23 O ATOM 0 H GLU A 76 24.494 -6.133 -1.826 1.00 2.52 H new ATOM 0 HA GLU A 76 21.976 -5.995 -0.619 1.00 32.41 H new ATOM 0 HB2 GLU A 76 23.242 -5.427 1.402 1.00 21.44 H new ATOM 0 HB3 GLU A 76 24.029 -6.720 0.520 1.00 21.44 H new ATOM 0 HG2 GLU A 76 24.894 -3.893 -0.009 1.00 15.41 H new ATOM 0 HG3 GLU A 76 25.394 -4.655 1.487 1.00 15.41 H new ATOM 1199 N ASN A 77 21.351 -3.607 -0.105 1.00 63.51 N ATOM 1200 CA ASN A 77 20.855 -2.237 -0.059 1.00 35.03 C ATOM 1201 C ASN A 77 20.159 -1.955 1.269 1.00 34.45 C ATOM 1202 O ASN A 77 18.939 -1.798 1.339 1.00 64.31 O ATOM 1203 CB ASN A 77 19.888 -1.983 -1.217 1.00 62.35 C ATOM 1204 CG ASN A 77 19.734 -0.507 -1.529 1.00 31.11 C ATOM 1205 OD1 ASN A 77 20.717 0.195 -1.766 1.00 22.22 O ATOM 1206 ND2 ASN A 77 18.495 -0.029 -1.529 1.00 70.14 N ATOM 0 H ASN A 77 20.768 -4.284 0.387 1.00 63.51 H new ATOM 0 HA ASN A 77 21.708 -1.565 -0.153 1.00 35.03 H new ATOM 0 HB2 ASN A 77 20.245 -2.504 -2.105 1.00 62.35 H new ATOM 0 HB3 ASN A 77 18.913 -2.403 -0.971 1.00 62.35 H new ATOM 0 HD21 ASN A 77 18.329 0.957 -1.731 1.00 70.14 H new ATOM 0 HD22 ASN A 77 17.710 -0.648 -1.327 1.00 70.14 H new ATOM 1213 N PRO A 78 20.950 -1.889 2.350 1.00 25.21 N ATOM 1214 CA PRO A 78 20.433 -1.625 3.696 1.00 72.11 C ATOM 1215 C PRO A 78 19.932 -0.193 3.854 1.00 63.52 C ATOM 1216 O PRO A 78 18.750 0.086 3.655 1.00 1.43 O ATOM 1217 CB PRO A 78 21.646 -1.870 4.597 1.00 72.01 C ATOM 1218 CG PRO A 78 22.825 -1.628 3.719 1.00 12.20 C ATOM 1219 CD PRO A 78 22.412 -2.067 2.341 1.00 3.42 C ATOM 0 HA PRO A 78 19.575 -2.254 3.933 1.00 72.11 H new ATOM 0 HB2 PRO A 78 21.645 -1.196 5.454 1.00 72.01 H new ATOM 0 HB3 PRO A 78 21.648 -2.886 4.991 1.00 72.01 H new ATOM 0 HG2 PRO A 78 23.107 -0.575 3.725 1.00 12.20 H new ATOM 0 HG3 PRO A 78 23.691 -2.192 4.065 1.00 12.20 H new ATOM 0 HD2 PRO A 78 22.886 -1.462 1.568 1.00 3.42 H new ATOM 0 HD3 PRO A 78 22.689 -3.104 2.149 1.00 3.42 H new TER 1227 PRO A 78