USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 644 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 24 ASN : amide:sc= -1.13 X(o=-2.4,f=-2) USER MOD Set 1.2: A 26 LYS NZ :NH3+ -160:sc= -0.0203 (180deg=0) USER MOD Set 1.3: A 62 HIS : no HE2:sc= -1.23 X(o=-2.4,f=-2) USER MOD Set 2.1: A 19 LYS NZ :NH3+ -123:sc= 0.46 (180deg=-0.771) USER MOD Set 2.2: A 70 GLN : amide:sc= 0.57 K(o=1,f=-4.5!) USER MOD Single : A 1 MET CE :methyl 146:sc= -0.0172 (180deg=-0.0654) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.087 (180deg=-0.006) USER MOD Single : A 7 SER OG : rot 180:sc= -1.32 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.799 X(o=-0.8,f=-0.69) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 53:sc= 1.29 USER MOD Single : A 22 GLN : amide:sc= -0.852 K(o=-0.85,f=-0.014) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 62:sc= -0.202 USER MOD Single : A 34 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.24) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.03! C(o=-4!,f=-2.1!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.536 X(o=-0.54,f=-0.16) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 111:sc= -4.31! USER MOD Single : A 48 SER OG : rot 180:sc= -0.0465 USER MOD Single : A 49 ASN : amide:sc= -0.653 X(o=-0.65,f=-0.22) USER MOD Single : A 50 THR OG1 : rot -15:sc= -2.84! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -4.01! C(o=-4!,f=-4.4!) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0814 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.164 USER MOD Single : A 67 THR OG1 : rot -1:sc= 0.213! USER MOD Single : A 69 ASN : amide:sc= -3.09 K(o=-3.1,f=-6!) USER MOD Single : A 72 ASN : amide:sc= -0.764 K(o=-0.76,f=-0.061) USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0531) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -1.03 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 171:sc= -0.801 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.476 1.963 -0.851 1.00 34.43 N ATOM 2 CA MET A 1 5.394 2.560 -0.077 1.00 14.40 C ATOM 3 C MET A 1 4.254 3.005 -0.989 1.00 24.22 C ATOM 4 O MET A 1 4.426 3.182 -2.195 1.00 72.41 O ATOM 5 CB MET A 1 5.912 3.753 0.729 1.00 64.03 C ATOM 6 CG MET A 1 6.320 3.396 2.149 1.00 35.10 C ATOM 7 SD MET A 1 8.057 3.744 2.482 1.00 41.12 S ATOM 8 CE MET A 1 8.759 2.100 2.372 1.00 31.23 C ATOM 0 H1 MET A 1 7.388 2.336 -0.518 1.00 34.43 H new ATOM 0 H2 MET A 1 6.460 0.930 -0.731 1.00 34.43 H new ATOM 0 H3 MET A 1 6.353 2.197 -1.857 1.00 34.43 H new ATOM 0 HA MET A 1 5.013 1.804 0.610 1.00 14.40 H new ATOM 0 HB2 MET A 1 6.768 4.186 0.212 1.00 64.03 H new ATOM 0 HB3 MET A 1 5.139 4.521 0.764 1.00 64.03 H new ATOM 0 HG2 MET A 1 5.701 3.954 2.852 1.00 35.10 H new ATOM 0 HG3 MET A 1 6.126 2.338 2.323 1.00 35.10 H new ATOM 0 HE1 MET A 1 9.766 2.161 1.958 1.00 31.23 H new ATOM 0 HE2 MET A 1 8.802 1.655 3.366 1.00 31.23 H new ATOM 0 HE3 MET A 1 8.137 1.482 1.724 1.00 31.23 H new ATOM 18 N PRO A 2 3.063 3.190 -0.402 1.00 32.15 N ATOM 19 CA PRO A 2 1.872 3.616 -1.143 1.00 44.22 C ATOM 20 C PRO A 2 1.972 5.062 -1.619 1.00 23.43 C ATOM 21 O PRO A 2 2.589 5.900 -0.962 1.00 24.41 O ATOM 22 CB PRO A 2 0.744 3.467 -0.119 1.00 62.14 C ATOM 23 CG PRO A 2 1.415 3.592 1.205 1.00 64.33 C ATOM 24 CD PRO A 2 2.786 2.998 1.032 1.00 71.30 C ATOM 0 HA PRO A 2 1.724 3.028 -2.049 1.00 44.22 H new ATOM 0 HB2 PRO A 2 -0.016 4.237 -0.252 1.00 62.14 H new ATOM 0 HB3 PRO A 2 0.243 2.504 -0.219 1.00 62.14 H new ATOM 0 HG2 PRO A 2 1.478 4.635 1.514 1.00 64.33 H new ATOM 0 HG3 PRO A 2 0.856 3.064 1.977 1.00 64.33 H new ATOM 0 HD2 PRO A 2 3.524 3.503 1.655 1.00 71.30 H new ATOM 0 HD3 PRO A 2 2.805 1.943 1.307 1.00 71.30 H new ATOM 32 N ALA A 3 1.361 5.347 -2.764 1.00 21.42 N ATOM 33 CA ALA A 3 1.379 6.691 -3.325 1.00 45.54 C ATOM 34 C ALA A 3 2.797 7.110 -3.701 1.00 52.22 C ATOM 35 O ALA A 3 3.772 6.581 -3.169 1.00 61.33 O ATOM 36 CB ALA A 3 0.778 7.683 -2.341 1.00 32.04 C ATOM 0 H ALA A 3 0.847 4.664 -3.321 1.00 21.42 H new ATOM 0 HA ALA A 3 0.776 6.686 -4.233 1.00 45.54 H new ATOM 0 HB1 ALA A 3 0.798 8.683 -2.774 1.00 32.04 H new ATOM 0 HB2 ALA A 3 -0.253 7.402 -2.125 1.00 32.04 H new ATOM 0 HB3 ALA A 3 1.357 7.676 -1.418 1.00 32.04 H new ATOM 42 N ALA A 4 2.903 8.063 -4.621 1.00 41.14 N ATOM 43 CA ALA A 4 4.201 8.553 -5.067 1.00 44.40 C ATOM 44 C ALA A 4 4.242 10.078 -5.067 1.00 22.24 C ATOM 45 O ALA A 4 3.238 10.736 -5.340 1.00 53.12 O ATOM 46 CB ALA A 4 4.521 8.015 -6.454 1.00 0.41 C ATOM 0 H ALA A 4 2.105 8.511 -5.072 1.00 41.14 H new ATOM 0 HA ALA A 4 4.956 8.195 -4.367 1.00 44.40 H new ATOM 0 HB1 ALA A 4 5.493 8.389 -6.774 1.00 0.41 H new ATOM 0 HB2 ALA A 4 4.543 6.926 -6.426 1.00 0.41 H new ATOM 0 HB3 ALA A 4 3.756 8.344 -7.157 1.00 0.41 H new ATOM 52 N LEU A 5 5.408 10.633 -4.757 1.00 45.52 N ATOM 53 CA LEU A 5 5.580 12.082 -4.720 1.00 62.35 C ATOM 54 C LEU A 5 5.090 12.721 -6.016 1.00 4.22 C ATOM 55 O LEU A 5 5.314 12.192 -7.105 1.00 13.22 O ATOM 56 CB LEU A 5 7.050 12.435 -4.488 1.00 2.11 C ATOM 57 CG LEU A 5 7.630 12.036 -3.130 1.00 72.34 C ATOM 58 CD1 LEU A 5 9.109 11.708 -3.257 1.00 45.14 C ATOM 59 CD2 LEU A 5 7.413 13.144 -2.111 1.00 13.22 C ATOM 0 H LEU A 5 6.248 10.103 -4.528 1.00 45.52 H new ATOM 0 HA LEU A 5 4.984 12.473 -3.895 1.00 62.35 H new ATOM 0 HB2 LEU A 5 7.645 11.960 -5.268 1.00 2.11 H new ATOM 0 HB3 LEU A 5 7.168 13.512 -4.609 1.00 2.11 H new ATOM 0 HG LEU A 5 7.110 11.144 -2.782 1.00 72.34 H new ATOM 0 HD11 LEU A 5 9.504 11.426 -2.281 1.00 45.14 H new ATOM 0 HD12 LEU A 5 9.240 10.880 -3.954 1.00 45.14 H new ATOM 0 HD13 LEU A 5 9.645 12.582 -3.627 1.00 45.14 H new ATOM 0 HD21 LEU A 5 7.832 12.843 -1.151 1.00 13.22 H new ATOM 0 HD22 LEU A 5 7.906 14.054 -2.452 1.00 13.22 H new ATOM 0 HD23 LEU A 5 6.345 13.331 -1.998 1.00 13.22 H new ATOM 71 N VAL A 6 4.423 13.864 -5.890 1.00 61.12 N ATOM 72 CA VAL A 6 3.905 14.578 -7.051 1.00 34.01 C ATOM 73 C VAL A 6 4.318 16.045 -7.023 1.00 53.22 C ATOM 74 O VAL A 6 5.160 16.479 -7.809 1.00 70.54 O ATOM 75 CB VAL A 6 2.369 14.490 -7.124 1.00 74.20 C ATOM 76 CG1 VAL A 6 1.844 15.278 -8.314 1.00 44.44 C ATOM 77 CG2 VAL A 6 1.922 13.038 -7.197 1.00 73.45 C ATOM 0 H VAL A 6 4.229 14.315 -4.996 1.00 61.12 H new ATOM 0 HA VAL A 6 4.332 14.100 -7.933 1.00 34.01 H new ATOM 0 HB VAL A 6 1.954 14.929 -6.217 1.00 74.20 H new ATOM 0 HG11 VAL A 6 0.757 15.204 -8.349 1.00 44.44 H new ATOM 0 HG12 VAL A 6 2.133 16.324 -8.214 1.00 44.44 H new ATOM 0 HG13 VAL A 6 2.265 14.872 -9.234 1.00 44.44 H new ATOM 0 HG21 VAL A 6 0.834 12.994 -7.248 1.00 73.45 H new ATOM 0 HG22 VAL A 6 2.346 12.571 -8.086 1.00 73.45 H new ATOM 0 HG23 VAL A 6 2.265 12.507 -6.309 1.00 73.45 H new ATOM 87 N SER A 7 3.719 16.806 -6.112 1.00 24.31 N ATOM 88 CA SER A 7 4.023 18.226 -5.983 1.00 54.23 C ATOM 89 C SER A 7 4.184 18.617 -4.517 1.00 61.34 C ATOM 90 O SER A 7 3.923 17.817 -3.618 1.00 61.44 O ATOM 91 CB SER A 7 2.918 19.066 -6.628 1.00 33.53 C ATOM 92 OG SER A 7 2.425 18.445 -7.803 1.00 4.03 O ATOM 0 H SER A 7 3.021 16.463 -5.453 1.00 24.31 H new ATOM 0 HA SER A 7 4.964 18.419 -6.498 1.00 54.23 H new ATOM 0 HB2 SER A 7 2.103 19.207 -5.918 1.00 33.53 H new ATOM 0 HB3 SER A 7 3.304 20.056 -6.871 1.00 33.53 H new ATOM 0 HG SER A 7 1.719 19.001 -8.195 1.00 4.03 H new ATOM 98 N ILE A 8 4.616 19.851 -4.285 1.00 1.52 N ATOM 99 CA ILE A 8 4.812 20.349 -2.929 1.00 14.13 C ATOM 100 C ILE A 8 4.479 21.834 -2.835 1.00 44.40 C ATOM 101 O ILE A 8 4.576 22.566 -3.820 1.00 44.12 O ATOM 102 CB ILE A 8 6.259 20.127 -2.451 1.00 13.02 C ATOM 103 CG1 ILE A 8 7.206 21.104 -3.151 1.00 72.30 C ATOM 104 CG2 ILE A 8 6.687 18.690 -2.707 1.00 74.24 C ATOM 105 CD1 ILE A 8 8.659 20.905 -2.783 1.00 24.23 C ATOM 0 H ILE A 8 4.837 20.525 -5.018 1.00 1.52 H new ATOM 0 HA ILE A 8 4.136 19.786 -2.286 1.00 14.13 H new ATOM 0 HB ILE A 8 6.304 20.313 -1.378 1.00 13.02 H new ATOM 0 HG12 ILE A 8 7.095 20.995 -4.230 1.00 72.30 H new ATOM 0 HG13 ILE A 8 6.913 22.124 -2.901 1.00 72.30 H new ATOM 0 HG21 ILE A 8 7.712 18.549 -2.364 1.00 74.24 H new ATOM 0 HG22 ILE A 8 6.027 18.012 -2.166 1.00 74.24 H new ATOM 0 HG23 ILE A 8 6.630 18.478 -3.775 1.00 74.24 H new ATOM 0 HD11 ILE A 8 9.272 21.632 -3.316 1.00 24.23 H new ATOM 0 HD12 ILE A 8 8.784 21.043 -1.709 1.00 24.23 H new ATOM 0 HD13 ILE A 8 8.969 19.897 -3.058 1.00 24.23 H new ATOM 117 N SER A 9 4.089 22.274 -1.643 1.00 32.21 N ATOM 118 CA SER A 9 3.740 23.672 -1.420 1.00 43.12 C ATOM 119 C SER A 9 4.842 24.390 -0.647 1.00 43.21 C ATOM 120 O SER A 9 5.043 24.145 0.543 1.00 51.34 O ATOM 121 CB SER A 9 2.417 23.775 -0.659 1.00 24.14 C ATOM 122 OG SER A 9 1.396 24.312 -1.481 1.00 10.22 O ATOM 0 H SER A 9 4.007 21.682 -0.816 1.00 32.21 H new ATOM 0 HA SER A 9 3.629 24.153 -2.392 1.00 43.12 H new ATOM 0 HB2 SER A 9 2.121 22.788 -0.304 1.00 24.14 H new ATOM 0 HB3 SER A 9 2.548 24.405 0.221 1.00 24.14 H new ATOM 0 HG SER A 9 0.560 24.366 -0.972 1.00 10.22 H new ATOM 128 N VAL A 10 5.555 25.279 -1.333 1.00 32.34 N ATOM 129 CA VAL A 10 6.636 26.034 -0.712 1.00 3.22 C ATOM 130 C VAL A 10 6.362 27.533 -0.767 1.00 32.23 C ATOM 131 O VAL A 10 5.950 28.061 -1.799 1.00 52.41 O ATOM 132 CB VAL A 10 7.987 25.745 -1.394 1.00 55.44 C ATOM 133 CG1 VAL A 10 8.344 24.272 -1.269 1.00 2.31 C ATOM 134 CG2 VAL A 10 7.947 26.170 -2.855 1.00 14.35 C ATOM 0 H VAL A 10 5.403 25.493 -2.319 1.00 32.34 H new ATOM 0 HA VAL A 10 6.687 25.715 0.329 1.00 3.22 H new ATOM 0 HB VAL A 10 8.760 26.325 -0.891 1.00 55.44 H new ATOM 0 HG11 VAL A 10 9.301 24.087 -1.757 1.00 2.31 H new ATOM 0 HG12 VAL A 10 8.416 24.003 -0.215 1.00 2.31 H new ATOM 0 HG13 VAL A 10 7.571 23.669 -1.746 1.00 2.31 H new ATOM 0 HG21 VAL A 10 8.909 25.959 -3.322 1.00 14.35 H new ATOM 0 HG22 VAL A 10 7.163 25.618 -3.373 1.00 14.35 H new ATOM 0 HG23 VAL A 10 7.740 27.238 -2.918 1.00 14.35 H new ATOM 144 N SER A 11 6.594 28.213 0.352 1.00 74.43 N ATOM 145 CA SER A 11 6.368 29.651 0.433 1.00 41.14 C ATOM 146 C SER A 11 7.679 30.394 0.670 1.00 24.14 C ATOM 147 O SER A 11 7.916 30.961 1.737 1.00 4.21 O ATOM 148 CB SER A 11 5.377 29.971 1.553 1.00 10.21 C ATOM 149 OG SER A 11 4.098 29.427 1.274 1.00 45.52 O ATOM 0 H SER A 11 6.938 27.791 1.214 1.00 74.43 H new ATOM 0 HA SER A 11 5.949 29.982 -0.517 1.00 41.14 H new ATOM 0 HB2 SER A 11 5.748 29.570 2.496 1.00 10.21 H new ATOM 0 HB3 SER A 11 5.297 31.051 1.675 1.00 10.21 H new ATOM 0 HG SER A 11 3.483 29.644 2.006 1.00 45.52 H new ATOM 155 N PRO A 12 8.553 30.391 -0.347 1.00 40.13 N ATOM 156 CA PRO A 12 9.855 31.060 -0.275 1.00 3.25 C ATOM 157 C PRO A 12 9.726 32.580 -0.261 1.00 23.43 C ATOM 158 O PRO A 12 8.858 33.146 -0.926 1.00 3.02 O ATOM 159 CB PRO A 12 10.565 30.595 -1.549 1.00 13.32 C ATOM 160 CG PRO A 12 9.463 30.259 -2.494 1.00 45.12 C ATOM 161 CD PRO A 12 8.337 29.735 -1.648 1.00 34.13 C ATOM 0 HA PRO A 12 10.390 30.812 0.642 1.00 3.25 H new ATOM 0 HB2 PRO A 12 11.208 31.377 -1.952 1.00 13.32 H new ATOM 0 HB3 PRO A 12 11.199 29.730 -1.356 1.00 13.32 H new ATOM 0 HG2 PRO A 12 9.151 31.138 -3.058 1.00 45.12 H new ATOM 0 HG3 PRO A 12 9.786 29.513 -3.220 1.00 45.12 H new ATOM 0 HD2 PRO A 12 7.365 29.990 -2.070 1.00 34.13 H new ATOM 0 HD3 PRO A 12 8.372 28.649 -1.561 1.00 34.13 H new ATOM 169 N THR A 13 10.596 33.236 0.501 1.00 21.00 N ATOM 170 CA THR A 13 10.579 34.690 0.602 1.00 71.22 C ATOM 171 C THR A 13 11.866 35.294 0.052 1.00 12.21 C ATOM 172 O THR A 13 12.942 35.108 0.619 1.00 73.22 O ATOM 173 CB THR A 13 10.391 35.150 2.060 1.00 62.41 C ATOM 174 OG1 THR A 13 9.204 34.566 2.609 1.00 65.32 O ATOM 175 CG2 THR A 13 10.301 36.666 2.142 1.00 71.12 C ATOM 0 H THR A 13 11.321 32.783 1.057 1.00 21.00 H new ATOM 0 HA THR A 13 9.734 35.038 0.008 1.00 71.22 H new ATOM 0 HB THR A 13 11.257 34.822 2.636 1.00 62.41 H new ATOM 0 HG1 THR A 13 9.093 34.862 3.537 1.00 65.32 H new ATOM 0 HG21 THR A 13 10.168 36.967 3.181 1.00 71.12 H new ATOM 0 HG22 THR A 13 11.218 37.107 1.751 1.00 71.12 H new ATOM 0 HG23 THR A 13 9.452 37.012 1.553 1.00 71.12 H new ATOM 183 N ASN A 14 11.747 36.020 -1.055 1.00 65.22 N ATOM 184 CA ASN A 14 12.903 36.652 -1.682 1.00 13.34 C ATOM 185 C ASN A 14 13.010 38.118 -1.271 1.00 31.32 C ATOM 186 O ASN A 14 12.566 39.010 -1.994 1.00 22.23 O ATOM 187 CB ASN A 14 12.806 36.544 -3.205 1.00 22.23 C ATOM 188 CG ASN A 14 11.424 36.890 -3.723 1.00 14.14 C ATOM 189 OD1 ASN A 14 11.152 38.036 -4.080 1.00 15.54 O ATOM 190 ND2 ASN A 14 10.542 35.898 -3.765 1.00 63.34 N ATOM 0 H ASN A 14 10.863 36.185 -1.536 1.00 65.22 H new ATOM 0 HA ASN A 14 13.799 36.131 -1.344 1.00 13.34 H new ATOM 0 HB2 ASN A 14 13.539 37.210 -3.661 1.00 22.23 H new ATOM 0 HB3 ASN A 14 13.062 35.530 -3.511 1.00 22.23 H new ATOM 0 HD21 ASN A 14 9.595 36.071 -4.103 1.00 63.34 H new ATOM 0 HD22 ASN A 14 10.811 34.963 -3.459 1.00 63.34 H new ATOM 197 N SER A 15 13.602 38.358 -0.105 1.00 44.25 N ATOM 198 CA SER A 15 13.765 39.715 0.404 1.00 64.14 C ATOM 199 C SER A 15 15.069 39.849 1.185 1.00 33.23 C ATOM 200 O SER A 15 15.911 38.951 1.171 1.00 61.43 O ATOM 201 CB SER A 15 12.581 40.093 1.296 1.00 44.35 C ATOM 202 OG SER A 15 12.757 39.600 2.612 1.00 34.33 O ATOM 0 H SER A 15 13.976 37.631 0.505 1.00 44.25 H new ATOM 0 HA SER A 15 13.801 40.395 -0.447 1.00 64.14 H new ATOM 0 HB2 SER A 15 12.473 41.177 1.322 1.00 44.35 H new ATOM 0 HB3 SER A 15 11.660 39.691 0.874 1.00 44.35 H new ATOM 0 HG SER A 15 11.988 39.856 3.163 1.00 34.33 H new ATOM 208 N THR A 16 15.228 40.978 1.868 1.00 5.14 N ATOM 209 CA THR A 16 16.428 41.232 2.655 1.00 5.15 C ATOM 210 C THR A 16 16.089 41.428 4.129 1.00 54.15 C ATOM 211 O THR A 16 15.008 41.911 4.468 1.00 61.51 O ATOM 212 CB THR A 16 17.183 42.474 2.145 1.00 51.22 C ATOM 213 OG1 THR A 16 18.182 42.865 3.093 1.00 63.40 O ATOM 214 CG2 THR A 16 16.223 43.630 1.907 1.00 42.32 C ATOM 0 H THR A 16 14.541 41.731 1.892 1.00 5.14 H new ATOM 0 HA THR A 16 17.068 40.356 2.545 1.00 5.15 H new ATOM 0 HB THR A 16 17.661 42.218 1.200 1.00 51.22 H new ATOM 0 HG1 THR A 16 18.749 42.095 3.307 1.00 63.40 H new ATOM 0 HG21 THR A 16 16.778 44.496 1.547 1.00 42.32 H new ATOM 0 HG22 THR A 16 15.481 43.340 1.163 1.00 42.32 H new ATOM 0 HG23 THR A 16 15.720 43.884 2.840 1.00 42.32 H new ATOM 222 N VAL A 17 17.018 41.051 5.001 1.00 43.42 N ATOM 223 CA VAL A 17 16.818 41.188 6.439 1.00 74.45 C ATOM 224 C VAL A 17 18.062 41.750 7.116 1.00 11.52 C ATOM 225 O VAL A 17 19.173 41.619 6.604 1.00 1.10 O ATOM 226 CB VAL A 17 16.461 39.836 7.086 1.00 54.41 C ATOM 227 CG1 VAL A 17 15.269 39.205 6.382 1.00 10.32 C ATOM 228 CG2 VAL A 17 17.660 38.902 7.063 1.00 65.52 C ATOM 0 H VAL A 17 17.917 40.648 4.737 1.00 43.42 H new ATOM 0 HA VAL A 17 15.988 41.881 6.579 1.00 74.45 H new ATOM 0 HB VAL A 17 16.186 40.012 8.126 1.00 54.41 H new ATOM 0 HG11 VAL A 17 15.032 38.251 6.853 1.00 10.32 H new ATOM 0 HG12 VAL A 17 14.409 39.870 6.456 1.00 10.32 H new ATOM 0 HG13 VAL A 17 15.512 39.041 5.332 1.00 10.32 H new ATOM 0 HG21 VAL A 17 17.390 37.952 7.524 1.00 65.52 H new ATOM 0 HG22 VAL A 17 17.968 38.730 6.032 1.00 65.52 H new ATOM 0 HG23 VAL A 17 18.483 39.353 7.617 1.00 65.52 H new ATOM 238 N ALA A 18 17.867 42.378 8.272 1.00 62.34 N ATOM 239 CA ALA A 18 18.974 42.959 9.021 1.00 20.43 C ATOM 240 C ALA A 18 19.825 41.874 9.672 1.00 24.13 C ATOM 241 O ALA A 18 19.338 40.784 9.974 1.00 53.25 O ATOM 242 CB ALA A 18 18.449 43.923 10.074 1.00 3.44 C ATOM 0 H ALA A 18 16.953 42.497 8.709 1.00 62.34 H new ATOM 0 HA ALA A 18 19.605 43.509 8.323 1.00 20.43 H new ATOM 0 HB1 ALA A 18 19.286 44.350 10.626 1.00 3.44 H new ATOM 0 HB2 ALA A 18 17.889 44.722 9.589 1.00 3.44 H new ATOM 0 HB3 ALA A 18 17.795 43.388 10.763 1.00 3.44 H new ATOM 248 N LYS A 19 21.101 42.178 9.887 1.00 51.45 N ATOM 249 CA LYS A 19 22.021 41.230 10.502 1.00 4.04 C ATOM 250 C LYS A 19 21.444 40.676 11.801 1.00 11.52 C ATOM 251 O LYS A 19 21.102 41.431 12.711 1.00 21.30 O ATOM 252 CB LYS A 19 23.369 41.901 10.776 1.00 24.33 C ATOM 253 CG LYS A 19 24.552 41.156 10.181 1.00 75.33 C ATOM 254 CD LYS A 19 25.020 40.034 11.092 1.00 3.02 C ATOM 255 CE LYS A 19 26.537 39.925 11.107 1.00 63.23 C ATOM 256 NZ LYS A 19 27.178 41.171 11.611 1.00 23.31 N ATOM 0 H LYS A 19 21.521 43.075 9.644 1.00 51.45 H new ATOM 0 HA LYS A 19 22.168 40.402 9.808 1.00 4.04 H new ATOM 0 HB2 LYS A 19 23.349 42.914 10.374 1.00 24.33 H new ATOM 0 HB3 LYS A 19 23.510 41.988 11.853 1.00 24.33 H new ATOM 0 HG2 LYS A 19 24.274 40.746 9.210 1.00 75.33 H new ATOM 0 HG3 LYS A 19 25.373 41.853 10.009 1.00 75.33 H new ATOM 0 HD2 LYS A 19 24.657 40.210 12.104 1.00 3.02 H new ATOM 0 HD3 LYS A 19 24.589 39.090 10.759 1.00 3.02 H new ATOM 0 HE2 LYS A 19 26.834 39.084 11.734 1.00 63.23 H new ATOM 0 HE3 LYS A 19 26.896 39.714 10.100 1.00 63.23 H new ATOM 0 HZ1 LYS A 19 27.838 41.536 10.895 1.00 23.31 H new ATOM 0 HZ2 LYS A 19 26.446 41.884 11.803 1.00 23.31 H new ATOM 0 HZ3 LYS A 19 27.698 40.964 12.487 1.00 23.31 H new ATOM 270 N GLY A 20 21.339 39.353 11.881 1.00 44.32 N ATOM 271 CA GLY A 20 20.804 38.722 13.073 1.00 63.22 C ATOM 272 C GLY A 20 19.295 38.591 13.031 1.00 33.45 C ATOM 273 O GLY A 20 18.573 39.497 13.450 1.00 45.33 O ATOM 0 H GLY A 20 21.615 38.707 11.141 1.00 44.32 H new ATOM 0 HA2 GLY A 20 21.248 37.733 13.188 1.00 63.22 H new ATOM 0 HA3 GLY A 20 21.091 39.304 13.949 1.00 63.22 H new ATOM 277 N LEU A 21 18.814 37.460 12.525 1.00 44.42 N ATOM 278 CA LEU A 21 17.380 37.214 12.428 1.00 32.05 C ATOM 279 C LEU A 21 17.103 35.805 11.914 1.00 53.01 C ATOM 280 O LEU A 21 17.900 35.240 11.167 1.00 63.45 O ATOM 281 CB LEU A 21 16.726 38.244 11.506 1.00 42.04 C ATOM 282 CG LEU A 21 15.270 38.593 11.814 1.00 11.22 C ATOM 283 CD1 LEU A 21 15.057 40.098 11.752 1.00 20.20 C ATOM 284 CD2 LEU A 21 14.334 37.880 10.849 1.00 43.00 C ATOM 0 H LEU A 21 19.397 36.699 12.176 1.00 44.42 H new ATOM 0 HA LEU A 21 16.952 37.307 13.426 1.00 32.05 H new ATOM 0 HB2 LEU A 21 17.314 39.161 11.544 1.00 42.04 H new ATOM 0 HB3 LEU A 21 16.781 37.872 10.483 1.00 42.04 H new ATOM 0 HG LEU A 21 15.042 38.256 12.825 1.00 11.22 H new ATOM 0 HD11 LEU A 21 14.015 40.327 11.974 1.00 20.20 H new ATOM 0 HD12 LEU A 21 15.700 40.587 12.484 1.00 20.20 H new ATOM 0 HD13 LEU A 21 15.303 40.460 10.754 1.00 20.20 H new ATOM 0 HD21 LEU A 21 13.302 38.141 11.084 1.00 43.00 H new ATOM 0 HD22 LEU A 21 14.562 38.186 9.828 1.00 43.00 H new ATOM 0 HD23 LEU A 21 14.466 36.802 10.943 1.00 43.00 H new ATOM 296 N GLN A 22 15.967 35.246 12.318 1.00 74.12 N ATOM 297 CA GLN A 22 15.584 33.904 11.896 1.00 61.42 C ATOM 298 C GLN A 22 14.209 33.911 11.236 1.00 1.51 C ATOM 299 O GLN A 22 13.350 34.721 11.582 1.00 54.20 O ATOM 300 CB GLN A 22 15.583 32.951 13.093 1.00 62.25 C ATOM 301 CG GLN A 22 14.906 33.525 14.327 1.00 64.13 C ATOM 302 CD GLN A 22 15.880 33.779 15.461 1.00 35.41 C ATOM 303 OE1 GLN A 22 15.608 33.443 16.614 1.00 12.13 O ATOM 304 NE2 GLN A 22 17.022 34.374 15.139 1.00 10.14 N ATOM 0 H GLN A 22 15.296 35.701 12.937 1.00 74.12 H new ATOM 0 HA GLN A 22 16.315 33.558 11.165 1.00 61.42 H new ATOM 0 HB2 GLN A 22 15.080 32.026 12.810 1.00 62.25 H new ATOM 0 HB3 GLN A 22 16.612 32.691 13.341 1.00 62.25 H new ATOM 0 HG2 GLN A 22 14.409 34.459 14.063 1.00 64.13 H new ATOM 0 HG3 GLN A 22 14.132 32.837 14.665 1.00 64.13 H new ATOM 0 HE21 GLN A 22 17.206 34.635 14.170 1.00 10.14 H new ATOM 0 HE22 GLN A 22 17.716 34.570 15.860 1.00 10.14 H new ATOM 313 N GLU A 23 14.009 33.005 10.284 1.00 25.04 N ATOM 314 CA GLU A 23 12.739 32.909 9.576 1.00 54.42 C ATOM 315 C GLU A 23 12.328 31.452 9.390 1.00 72.44 C ATOM 316 O GLU A 23 13.046 30.668 8.771 1.00 22.41 O ATOM 317 CB GLU A 23 12.835 33.601 8.215 1.00 50.54 C ATOM 318 CG GLU A 23 11.773 34.666 7.996 1.00 32.14 C ATOM 319 CD GLU A 23 11.934 35.388 6.673 1.00 72.03 C ATOM 320 OE1 GLU A 23 12.943 35.138 5.980 1.00 0.45 O ATOM 321 OE2 GLU A 23 11.052 36.202 6.329 1.00 13.22 O ATOM 0 H GLU A 23 14.711 32.327 9.986 1.00 25.04 H new ATOM 0 HA GLU A 23 11.979 33.409 10.177 1.00 54.42 H new ATOM 0 HB2 GLU A 23 13.820 34.057 8.118 1.00 50.54 H new ATOM 0 HB3 GLU A 23 12.752 32.851 7.429 1.00 50.54 H new ATOM 0 HG2 GLU A 23 10.787 34.204 8.035 1.00 32.14 H new ATOM 0 HG3 GLU A 23 11.818 35.391 8.809 1.00 32.14 H new ATOM 328 N ASN A 24 11.167 31.096 9.930 1.00 13.53 N ATOM 329 CA ASN A 24 10.660 29.733 9.825 1.00 11.02 C ATOM 330 C ASN A 24 10.120 29.460 8.425 1.00 61.24 C ATOM 331 O ASN A 24 9.479 30.317 7.816 1.00 2.24 O ATOM 332 CB ASN A 24 9.561 29.494 10.863 1.00 65.40 C ATOM 333 CG ASN A 24 8.675 28.316 10.506 1.00 64.22 C ATOM 334 OD1 ASN A 24 7.461 28.458 10.367 1.00 55.41 O ATOM 335 ND2 ASN A 24 9.282 27.144 10.356 1.00 75.22 N ATOM 0 H ASN A 24 10.559 31.733 10.445 1.00 13.53 H new ATOM 0 HA ASN A 24 11.487 29.049 10.016 1.00 11.02 H new ATOM 0 HB2 ASN A 24 10.017 29.320 11.838 1.00 65.40 H new ATOM 0 HB3 ASN A 24 8.949 30.391 10.953 1.00 65.40 H new ATOM 0 HD21 ASN A 24 8.738 26.315 10.116 1.00 75.22 H new ATOM 0 HD22 ASN A 24 10.292 27.073 10.481 1.00 75.22 H new ATOM 342 N PHE A 25 10.383 28.259 7.919 1.00 43.42 N ATOM 343 CA PHE A 25 9.924 27.872 6.590 1.00 45.53 C ATOM 344 C PHE A 25 8.806 26.839 6.680 1.00 32.31 C ATOM 345 O PHE A 25 8.682 26.126 7.677 1.00 52.25 O ATOM 346 CB PHE A 25 11.087 27.312 5.769 1.00 65.52 C ATOM 347 CG PHE A 25 11.759 28.338 4.902 1.00 61.32 C ATOM 348 CD1 PHE A 25 11.027 29.077 3.986 1.00 30.34 C ATOM 349 CD2 PHE A 25 13.122 28.564 5.002 1.00 23.14 C ATOM 350 CE1 PHE A 25 11.643 30.021 3.187 1.00 72.01 C ATOM 351 CE2 PHE A 25 13.744 29.507 4.206 1.00 54.32 C ATOM 352 CZ PHE A 25 13.002 30.237 3.298 1.00 45.44 C ATOM 0 H PHE A 25 10.911 27.537 8.409 1.00 43.42 H new ATOM 0 HA PHE A 25 9.534 28.761 6.095 1.00 45.53 H new ATOM 0 HB2 PHE A 25 11.825 26.881 6.446 1.00 65.52 H new ATOM 0 HB3 PHE A 25 10.720 26.501 5.140 1.00 65.52 H new ATOM 0 HD1 PHE A 25 9.963 28.913 3.896 1.00 30.34 H new ATOM 0 HD2 PHE A 25 13.706 27.996 5.711 1.00 23.14 H new ATOM 0 HE1 PHE A 25 11.062 30.590 2.476 1.00 72.01 H new ATOM 0 HE2 PHE A 25 14.808 29.673 4.294 1.00 54.32 H new ATOM 0 HZ PHE A 25 13.485 30.976 2.676 1.00 45.44 H new ATOM 362 N LYS A 26 7.992 26.763 5.632 1.00 3.13 N ATOM 363 CA LYS A 26 6.883 25.817 5.591 1.00 45.24 C ATOM 364 C LYS A 26 6.837 25.092 4.250 1.00 65.53 C ATOM 365 O LYS A 26 6.828 25.721 3.193 1.00 41.45 O ATOM 366 CB LYS A 26 5.558 26.542 5.836 1.00 42.11 C ATOM 367 CG LYS A 26 4.347 25.626 5.794 1.00 41.44 C ATOM 368 CD LYS A 26 4.216 24.816 7.072 1.00 13.24 C ATOM 369 CE LYS A 26 4.753 23.404 6.895 1.00 10.33 C ATOM 370 NZ LYS A 26 3.768 22.377 7.333 1.00 13.01 N ATOM 0 H LYS A 26 8.080 27.346 4.799 1.00 3.13 H new ATOM 0 HA LYS A 26 7.038 25.079 6.379 1.00 45.24 H new ATOM 0 HB2 LYS A 26 5.597 27.034 6.808 1.00 42.11 H new ATOM 0 HB3 LYS A 26 5.438 27.324 5.087 1.00 42.11 H new ATOM 0 HG2 LYS A 26 3.445 26.220 5.645 1.00 41.44 H new ATOM 0 HG3 LYS A 26 4.429 24.952 4.942 1.00 41.44 H new ATOM 0 HD2 LYS A 26 4.757 25.314 7.877 1.00 13.24 H new ATOM 0 HD3 LYS A 26 3.169 24.773 7.371 1.00 13.24 H new ATOM 0 HE2 LYS A 26 5.007 23.241 5.848 1.00 10.33 H new ATOM 0 HE3 LYS A 26 5.674 23.291 7.467 1.00 10.33 H new ATOM 0 HZ1 LYS A 26 4.261 21.481 7.521 1.00 13.01 H new ATOM 0 HZ2 LYS A 26 3.293 22.699 8.200 1.00 13.01 H new ATOM 0 HZ3 LYS A 26 3.061 22.233 6.584 1.00 13.01 H new ATOM 384 N ALA A 27 6.808 23.764 4.301 1.00 35.12 N ATOM 385 CA ALA A 27 6.759 22.953 3.091 1.00 53.33 C ATOM 386 C ALA A 27 5.789 21.787 3.249 1.00 12.44 C ATOM 387 O ALA A 27 5.856 21.038 4.225 1.00 55.33 O ATOM 388 CB ALA A 27 8.149 22.442 2.741 1.00 14.33 C ATOM 0 H ALA A 27 6.818 23.227 5.168 1.00 35.12 H new ATOM 0 HA ALA A 27 6.399 23.582 2.277 1.00 53.33 H new ATOM 0 HB1 ALA A 27 8.097 21.838 1.835 1.00 14.33 H new ATOM 0 HB2 ALA A 27 8.817 23.288 2.575 1.00 14.33 H new ATOM 0 HB3 ALA A 27 8.530 21.834 3.561 1.00 14.33 H new ATOM 394 N THR A 28 4.886 21.639 2.285 1.00 61.13 N ATOM 395 CA THR A 28 3.901 20.565 2.318 1.00 10.45 C ATOM 396 C THR A 28 4.072 19.625 1.131 1.00 54.01 C ATOM 397 O THR A 28 4.069 20.057 -0.021 1.00 1.21 O ATOM 398 CB THR A 28 2.464 21.121 2.317 1.00 63.05 C ATOM 399 OG1 THR A 28 2.371 22.240 3.205 1.00 53.44 O ATOM 400 CG2 THR A 28 1.469 20.050 2.736 1.00 22.42 C ATOM 0 H THR A 28 4.816 22.250 1.471 1.00 61.13 H new ATOM 0 HA THR A 28 4.068 20.011 3.242 1.00 10.45 H new ATOM 0 HB THR A 28 2.223 21.441 1.303 1.00 63.05 H new ATOM 0 HG1 THR A 28 1.455 22.589 3.197 1.00 53.44 H new ATOM 0 HG21 THR A 28 0.462 20.466 2.728 1.00 22.42 H new ATOM 0 HG22 THR A 28 1.521 19.213 2.040 1.00 22.42 H new ATOM 0 HG23 THR A 28 1.710 19.703 3.741 1.00 22.42 H new ATOM 408 N GLY A 29 4.219 18.335 1.419 1.00 3.43 N ATOM 409 CA GLY A 29 4.389 17.354 0.364 1.00 75.12 C ATOM 410 C GLY A 29 3.073 16.744 -0.078 1.00 13.45 C ATOM 411 O GLY A 29 2.185 16.506 0.742 1.00 4.45 O ATOM 0 H GLY A 29 4.223 17.952 2.365 1.00 3.43 H new ATOM 0 HA2 GLY A 29 4.873 17.825 -0.491 1.00 75.12 H new ATOM 0 HA3 GLY A 29 5.054 16.563 0.711 1.00 75.12 H new ATOM 415 N ILE A 30 2.945 16.493 -1.376 1.00 20.21 N ATOM 416 CA ILE A 30 1.728 15.908 -1.924 1.00 54.11 C ATOM 417 C ILE A 30 2.022 14.590 -2.633 1.00 55.42 C ATOM 418 O ILE A 30 3.055 14.441 -3.286 1.00 54.43 O ATOM 419 CB ILE A 30 1.038 16.867 -2.912 1.00 51.13 C ATOM 420 CG1 ILE A 30 0.617 18.154 -2.199 1.00 20.52 C ATOM 421 CG2 ILE A 30 -0.166 16.192 -3.553 1.00 2.22 C ATOM 422 CD1 ILE A 30 1.605 19.287 -2.363 1.00 64.22 C ATOM 0 H ILE A 30 3.669 16.686 -2.068 1.00 20.21 H new ATOM 0 HA ILE A 30 1.060 15.724 -1.083 1.00 54.11 H new ATOM 0 HB ILE A 30 1.747 17.125 -3.699 1.00 51.13 H new ATOM 0 HG12 ILE A 30 -0.353 18.471 -2.581 1.00 20.52 H new ATOM 0 HG13 ILE A 30 0.488 17.946 -1.137 1.00 20.52 H new ATOM 0 HG21 ILE A 30 -0.643 16.883 -4.249 1.00 2.22 H new ATOM 0 HG22 ILE A 30 0.160 15.302 -4.091 1.00 2.22 H new ATOM 0 HG23 ILE A 30 -0.878 15.907 -2.779 1.00 2.22 H new ATOM 0 HD11 ILE A 30 1.241 20.167 -1.832 1.00 64.22 H new ATOM 0 HD12 ILE A 30 2.571 18.990 -1.954 1.00 64.22 H new ATOM 0 HD13 ILE A 30 1.716 19.523 -3.421 1.00 64.22 H new ATOM 434 N PHE A 31 1.105 13.637 -2.502 1.00 24.23 N ATOM 435 CA PHE A 31 1.265 12.331 -3.131 1.00 24.14 C ATOM 436 C PHE A 31 0.224 12.124 -4.227 1.00 21.25 C ATOM 437 O PHE A 31 -0.801 12.805 -4.262 1.00 74.22 O ATOM 438 CB PHE A 31 1.150 11.220 -2.085 1.00 14.02 C ATOM 439 CG PHE A 31 2.295 11.189 -1.114 1.00 21.02 C ATOM 440 CD1 PHE A 31 3.600 11.329 -1.557 1.00 63.11 C ATOM 441 CD2 PHE A 31 2.067 11.019 0.242 1.00 14.32 C ATOM 442 CE1 PHE A 31 4.657 11.301 -0.666 1.00 52.22 C ATOM 443 CE2 PHE A 31 3.119 10.991 1.138 1.00 51.22 C ATOM 444 CZ PHE A 31 4.416 11.131 0.683 1.00 54.01 C ATOM 0 H PHE A 31 0.244 13.745 -1.966 1.00 24.23 H new ATOM 0 HA PHE A 31 2.256 12.292 -3.584 1.00 24.14 H new ATOM 0 HB2 PHE A 31 0.219 11.347 -1.532 1.00 14.02 H new ATOM 0 HB3 PHE A 31 1.090 10.258 -2.594 1.00 14.02 H new ATOM 0 HD1 PHE A 31 3.794 11.462 -2.611 1.00 63.11 H new ATOM 0 HD2 PHE A 31 1.055 10.907 0.603 1.00 14.32 H new ATOM 0 HE1 PHE A 31 5.670 11.412 -1.025 1.00 52.22 H new ATOM 0 HE2 PHE A 31 2.927 10.860 2.193 1.00 51.22 H new ATOM 0 HZ PHE A 31 5.240 11.108 1.381 1.00 54.01 H new ATOM 454 N THR A 32 0.495 11.178 -5.121 1.00 10.20 N ATOM 455 CA THR A 32 -0.416 10.881 -6.219 1.00 40.52 C ATOM 456 C THR A 32 -1.709 10.256 -5.708 1.00 3.24 C ATOM 457 O THR A 32 -2.694 10.158 -6.439 1.00 62.45 O ATOM 458 CB THR A 32 0.231 9.930 -7.244 1.00 15.40 C ATOM 459 OG1 THR A 32 1.642 10.161 -7.304 1.00 5.21 O ATOM 460 CG2 THR A 32 -0.379 10.126 -8.624 1.00 14.02 C ATOM 0 H THR A 32 1.338 10.604 -5.106 1.00 10.20 H new ATOM 0 HA THR A 32 -0.643 11.829 -6.706 1.00 40.52 H new ATOM 0 HB THR A 32 0.044 8.905 -6.924 1.00 15.40 H new ATOM 0 HG1 THR A 32 2.043 9.965 -6.432 1.00 5.21 H new ATOM 0 HG21 THR A 32 0.094 9.444 -9.331 1.00 14.02 H new ATOM 0 HG22 THR A 32 -1.449 9.921 -8.581 1.00 14.02 H new ATOM 0 HG23 THR A 32 -0.219 11.154 -8.950 1.00 14.02 H new ATOM 468 N ASP A 33 -1.699 9.836 -4.448 1.00 22.05 N ATOM 469 CA ASP A 33 -2.872 9.221 -3.837 1.00 50.52 C ATOM 470 C ASP A 33 -3.740 10.271 -3.150 1.00 50.34 C ATOM 471 O ASP A 33 -4.542 9.951 -2.275 1.00 34.13 O ATOM 472 CB ASP A 33 -2.448 8.153 -2.828 1.00 40.03 C ATOM 473 CG ASP A 33 -3.607 7.283 -2.385 1.00 35.22 C ATOM 474 OD1 ASP A 33 -4.164 6.558 -3.236 1.00 23.45 O ATOM 475 OD2 ASP A 33 -3.959 7.328 -1.187 1.00 73.42 O ATOM 0 H ASP A 33 -0.891 9.910 -3.829 1.00 22.05 H new ATOM 0 HA ASP A 33 -3.458 8.751 -4.627 1.00 50.52 H new ATOM 0 HB2 ASP A 33 -1.675 7.525 -3.271 1.00 40.03 H new ATOM 0 HB3 ASP A 33 -2.006 8.636 -1.956 1.00 40.03 H new ATOM 480 N ASN A 34 -3.572 11.527 -3.554 1.00 31.53 N ATOM 481 CA ASN A 34 -4.339 12.624 -2.976 1.00 12.11 C ATOM 482 C ASN A 34 -4.068 12.749 -1.480 1.00 23.13 C ATOM 483 O ASN A 34 -4.836 13.375 -0.749 1.00 62.51 O ATOM 484 CB ASN A 34 -5.835 12.412 -3.218 1.00 61.42 C ATOM 485 CG ASN A 34 -6.117 11.764 -4.560 1.00 21.51 C ATOM 486 OD1 ASN A 34 -5.723 12.279 -5.606 1.00 1.40 O ATOM 487 ND2 ASN A 34 -6.803 10.627 -4.535 1.00 64.41 N ATOM 0 H ASN A 34 -2.912 11.809 -4.279 1.00 31.53 H new ATOM 0 HA ASN A 34 -4.026 13.548 -3.463 1.00 12.11 H new ATOM 0 HB2 ASN A 34 -6.244 11.788 -2.423 1.00 61.42 H new ATOM 0 HB3 ASN A 34 -6.348 13.372 -3.166 1.00 61.42 H new ATOM 0 HD21 ASN A 34 -7.023 10.145 -5.406 1.00 64.41 H new ATOM 0 HD22 ASN A 34 -7.110 10.236 -3.644 1.00 64.41 H new ATOM 494 N SER A 35 -2.969 12.150 -1.031 1.00 74.41 N ATOM 495 CA SER A 35 -2.598 12.191 0.378 1.00 25.43 C ATOM 496 C SER A 35 -1.390 13.098 0.595 1.00 15.15 C ATOM 497 O SER A 35 -0.267 12.752 0.234 1.00 61.24 O ATOM 498 CB SER A 35 -2.289 10.781 0.887 1.00 5.43 C ATOM 499 OG SER A 35 -3.321 10.307 1.734 1.00 11.21 O ATOM 0 H SER A 35 -2.321 11.631 -1.623 1.00 74.41 H new ATOM 0 HA SER A 35 -3.440 12.596 0.939 1.00 25.43 H new ATOM 0 HB2 SER A 35 -2.169 10.104 0.041 1.00 5.43 H new ATOM 0 HB3 SER A 35 -1.343 10.786 1.429 1.00 5.43 H new ATOM 0 HG SER A 35 -3.101 9.404 2.044 1.00 11.21 H new ATOM 505 N ASN A 36 -1.633 14.262 1.189 1.00 4.33 N ATOM 506 CA ASN A 36 -0.566 15.221 1.455 1.00 53.22 C ATOM 507 C ASN A 36 0.011 15.020 2.853 1.00 74.12 C ATOM 508 O ASN A 36 -0.717 14.718 3.798 1.00 34.43 O ATOM 509 CB ASN A 36 -1.090 16.651 1.308 1.00 41.30 C ATOM 510 CG ASN A 36 -2.113 16.781 0.196 1.00 0.11 C ATOM 511 OD1 ASN A 36 -3.164 17.396 0.374 1.00 54.22 O ATOM 512 ND2 ASN A 36 -1.809 16.200 -0.959 1.00 5.15 N ATOM 0 H ASN A 36 -2.558 14.564 1.495 1.00 4.33 H new ATOM 0 HA ASN A 36 0.228 15.055 0.727 1.00 53.22 H new ATOM 0 HB2 ASN A 36 -1.538 16.969 2.249 1.00 41.30 H new ATOM 0 HB3 ASN A 36 -0.255 17.322 1.110 1.00 41.30 H new ATOM 0 HD21 ASN A 36 -2.459 16.254 -1.743 1.00 5.15 H new ATOM 0 HD22 ASN A 36 -0.926 15.700 -1.062 1.00 5.15 H new ATOM 519 N SER A 37 1.323 15.190 2.976 1.00 40.43 N ATOM 520 CA SER A 37 1.999 15.025 4.257 1.00 33.43 C ATOM 521 C SER A 37 2.977 16.168 4.508 1.00 51.33 C ATOM 522 O SER A 37 3.573 16.706 3.574 1.00 30.40 O ATOM 523 CB SER A 37 2.740 13.687 4.298 1.00 74.43 C ATOM 524 OG SER A 37 1.833 12.599 4.229 1.00 43.54 O ATOM 0 H SER A 37 1.940 15.442 2.204 1.00 40.43 H new ATOM 0 HA SER A 37 1.243 15.039 5.042 1.00 33.43 H new ATOM 0 HB2 SER A 37 3.443 13.632 3.467 1.00 74.43 H new ATOM 0 HB3 SER A 37 3.325 13.619 5.215 1.00 74.43 H new ATOM 0 HG SER A 37 2.331 11.756 4.255 1.00 43.54 H new ATOM 530 N ASP A 38 3.136 16.535 5.774 1.00 4.14 N ATOM 531 CA ASP A 38 4.043 17.614 6.150 1.00 53.23 C ATOM 532 C ASP A 38 5.451 17.081 6.395 1.00 72.25 C ATOM 533 O ASP A 38 5.634 16.080 7.087 1.00 32.55 O ATOM 534 CB ASP A 38 3.529 18.328 7.401 1.00 24.13 C ATOM 535 CG ASP A 38 3.515 17.424 8.618 1.00 3.14 C ATOM 536 OD1 ASP A 38 3.440 16.191 8.440 1.00 74.40 O ATOM 537 OD2 ASP A 38 3.579 17.950 9.749 1.00 1.34 O ATOM 0 H ASP A 38 2.649 16.101 6.558 1.00 4.14 H new ATOM 0 HA ASP A 38 4.083 18.326 5.325 1.00 53.23 H new ATOM 0 HB2 ASP A 38 4.156 19.196 7.604 1.00 24.13 H new ATOM 0 HB3 ASP A 38 2.521 18.699 7.216 1.00 24.13 H new ATOM 542 N ILE A 39 6.441 17.755 5.821 1.00 44.32 N ATOM 543 CA ILE A 39 7.832 17.349 5.977 1.00 25.01 C ATOM 544 C ILE A 39 7.953 15.833 6.085 1.00 24.32 C ATOM 545 O ILE A 39 8.643 15.314 6.964 1.00 41.20 O ATOM 546 CB ILE A 39 8.471 17.994 7.221 1.00 31.35 C ATOM 547 CG1 ILE A 39 7.734 17.551 8.487 1.00 14.21 C ATOM 548 CG2 ILE A 39 8.459 19.510 7.098 1.00 71.04 C ATOM 549 CD1 ILE A 39 6.578 18.453 8.859 1.00 34.04 C ATOM 0 H ILE A 39 6.306 18.585 5.244 1.00 44.32 H new ATOM 0 HA ILE A 39 8.362 17.691 5.088 1.00 25.01 H new ATOM 0 HB ILE A 39 9.507 17.663 7.291 1.00 31.35 H new ATOM 0 HG12 ILE A 39 7.362 16.536 8.345 1.00 14.21 H new ATOM 0 HG13 ILE A 39 8.440 17.518 9.316 1.00 14.21 H new ATOM 0 HG21 ILE A 39 8.914 19.951 7.985 1.00 71.04 H new ATOM 0 HG22 ILE A 39 9.024 19.808 6.215 1.00 71.04 H new ATOM 0 HG23 ILE A 39 7.431 19.859 7.006 1.00 71.04 H new ATOM 0 HD11 ILE A 39 6.102 18.079 9.765 1.00 34.04 H new ATOM 0 HD12 ILE A 39 6.947 19.464 9.033 1.00 34.04 H new ATOM 0 HD13 ILE A 39 5.851 18.467 8.047 1.00 34.04 H new ATOM 561 N THR A 40 7.279 15.125 5.184 1.00 22.11 N ATOM 562 CA THR A 40 7.311 13.668 5.177 1.00 22.21 C ATOM 563 C THR A 40 8.705 13.150 4.840 1.00 53.00 C ATOM 564 O THR A 40 9.175 12.177 5.429 1.00 31.41 O ATOM 565 CB THR A 40 6.302 13.089 4.167 1.00 25.43 C ATOM 566 OG1 THR A 40 6.376 11.659 4.167 1.00 72.40 O ATOM 567 CG2 THR A 40 6.576 13.616 2.767 1.00 74.23 C ATOM 0 H THR A 40 6.704 15.538 4.449 1.00 22.11 H new ATOM 0 HA THR A 40 7.038 13.341 6.180 1.00 22.21 H new ATOM 0 HB THR A 40 5.301 13.401 4.466 1.00 25.43 H new ATOM 0 HG1 THR A 40 5.731 11.298 3.524 1.00 72.40 H new ATOM 0 HG21 THR A 40 5.851 13.194 2.071 1.00 74.23 H new ATOM 0 HG22 THR A 40 6.491 14.703 2.764 1.00 74.23 H new ATOM 0 HG23 THR A 40 7.582 13.330 2.461 1.00 74.23 H new ATOM 575 N ASP A 41 9.361 13.807 3.890 1.00 72.22 N ATOM 576 CA ASP A 41 10.703 13.413 3.475 1.00 15.54 C ATOM 577 C ASP A 41 11.760 14.218 4.225 1.00 63.15 C ATOM 578 O ASP A 41 12.951 14.121 3.929 1.00 50.32 O ATOM 579 CB ASP A 41 10.871 13.606 1.967 1.00 13.05 C ATOM 580 CG ASP A 41 11.165 12.305 1.247 1.00 3.00 C ATOM 581 OD1 ASP A 41 12.349 11.911 1.196 1.00 71.42 O ATOM 582 OD2 ASP A 41 10.212 11.682 0.734 1.00 65.34 O ATOM 0 H ASP A 41 8.986 14.615 3.393 1.00 72.22 H new ATOM 0 HA ASP A 41 10.837 12.358 3.715 1.00 15.54 H new ATOM 0 HB2 ASP A 41 9.963 14.048 1.557 1.00 13.05 H new ATOM 0 HB3 ASP A 41 11.681 14.312 1.782 1.00 13.05 H new ATOM 587 N GLN A 42 11.316 15.011 5.194 1.00 4.30 N ATOM 588 CA GLN A 42 12.225 15.834 5.984 1.00 64.33 C ATOM 589 C GLN A 42 12.945 16.850 5.103 1.00 70.43 C ATOM 590 O GLN A 42 14.131 16.702 4.809 1.00 63.34 O ATOM 591 CB GLN A 42 13.247 14.953 6.706 1.00 53.12 C ATOM 592 CG GLN A 42 12.864 14.630 8.141 1.00 24.21 C ATOM 593 CD GLN A 42 11.397 14.277 8.289 1.00 4.00 C ATOM 594 OE1 GLN A 42 10.963 13.198 7.885 1.00 13.03 O ATOM 595 NE2 GLN A 42 10.625 15.187 8.871 1.00 41.34 N ATOM 0 H GLN A 42 10.333 15.101 5.451 1.00 4.30 H new ATOM 0 HA GLN A 42 11.635 16.375 6.723 1.00 64.33 H new ATOM 0 HB2 GLN A 42 13.367 14.022 6.152 1.00 53.12 H new ATOM 0 HB3 GLN A 42 14.215 15.454 6.701 1.00 53.12 H new ATOM 0 HG2 GLN A 42 13.472 13.798 8.496 1.00 24.21 H new ATOM 0 HG3 GLN A 42 13.093 15.486 8.776 1.00 24.21 H new ATOM 0 HE21 GLN A 42 11.027 16.068 9.191 1.00 41.34 H new ATOM 0 HE22 GLN A 42 9.629 15.005 8.998 1.00 41.34 H new ATOM 604 N VAL A 43 12.219 17.881 4.684 1.00 43.52 N ATOM 605 CA VAL A 43 12.788 18.923 3.837 1.00 65.33 C ATOM 606 C VAL A 43 14.081 19.470 4.432 1.00 70.11 C ATOM 607 O VAL A 43 14.074 20.094 5.493 1.00 11.24 O ATOM 608 CB VAL A 43 11.798 20.084 3.633 1.00 51.41 C ATOM 609 CG1 VAL A 43 11.289 20.593 4.973 1.00 55.22 C ATOM 610 CG2 VAL A 43 12.450 21.207 2.840 1.00 72.02 C ATOM 0 H VAL A 43 11.235 18.017 4.917 1.00 43.52 H new ATOM 0 HA VAL A 43 13.001 18.464 2.872 1.00 65.33 H new ATOM 0 HB VAL A 43 10.945 19.715 3.063 1.00 51.41 H new ATOM 0 HG11 VAL A 43 10.590 21.413 4.809 1.00 55.22 H new ATOM 0 HG12 VAL A 43 10.782 19.785 5.500 1.00 55.22 H new ATOM 0 HG13 VAL A 43 12.129 20.946 5.571 1.00 55.22 H new ATOM 0 HG21 VAL A 43 11.736 22.019 2.705 1.00 72.02 H new ATOM 0 HG22 VAL A 43 13.321 21.576 3.381 1.00 72.02 H new ATOM 0 HG23 VAL A 43 12.760 20.831 1.865 1.00 72.02 H new ATOM 620 N THR A 44 15.192 19.232 3.741 1.00 54.12 N ATOM 621 CA THR A 44 16.493 19.700 4.201 1.00 51.23 C ATOM 622 C THR A 44 16.875 21.013 3.526 1.00 30.31 C ATOM 623 O THR A 44 16.966 21.088 2.301 1.00 70.12 O ATOM 624 CB THR A 44 17.593 18.657 3.929 1.00 3.20 C ATOM 625 OG1 THR A 44 17.253 17.413 4.550 1.00 31.24 O ATOM 626 CG2 THR A 44 18.938 19.140 4.452 1.00 13.02 C ATOM 0 H THR A 44 15.216 18.718 2.861 1.00 54.12 H new ATOM 0 HA THR A 44 16.410 19.858 5.276 1.00 51.23 H new ATOM 0 HB THR A 44 17.670 18.515 2.851 1.00 3.20 H new ATOM 0 HG1 THR A 44 17.957 16.755 4.371 1.00 31.24 H new ATOM 0 HG21 THR A 44 19.699 18.387 4.249 1.00 13.02 H new ATOM 0 HG22 THR A 44 19.208 20.072 3.956 1.00 13.02 H new ATOM 0 HG23 THR A 44 18.872 19.307 5.527 1.00 13.02 H new ATOM 634 N TRP A 45 17.098 22.044 4.333 1.00 70.23 N ATOM 635 CA TRP A 45 17.471 23.354 3.812 1.00 3.34 C ATOM 636 C TRP A 45 18.971 23.591 3.958 1.00 74.44 C ATOM 637 O TRP A 45 19.602 23.079 4.882 1.00 23.21 O ATOM 638 CB TRP A 45 16.696 24.454 4.540 1.00 43.23 C ATOM 639 CG TRP A 45 15.209 24.281 4.467 1.00 64.23 C ATOM 640 CD1 TRP A 45 14.448 23.417 5.201 1.00 10.12 C ATOM 641 CD2 TRP A 45 14.305 24.987 3.610 1.00 2.45 C ATOM 642 NE1 TRP A 45 13.125 23.544 4.853 1.00 12.31 N ATOM 643 CE2 TRP A 45 13.011 24.502 3.880 1.00 33.40 C ATOM 644 CE3 TRP A 45 14.463 25.984 2.644 1.00 14.41 C ATOM 645 CZ2 TRP A 45 11.884 24.979 3.217 1.00 53.25 C ATOM 646 CZ3 TRP A 45 13.343 26.457 1.986 1.00 1.12 C ATOM 647 CH2 TRP A 45 12.067 25.955 2.275 1.00 1.21 C ATOM 0 H TRP A 45 17.027 21.998 5.350 1.00 70.23 H new ATOM 0 HA TRP A 45 17.219 23.381 2.752 1.00 3.34 H new ATOM 0 HB2 TRP A 45 17.002 24.472 5.586 1.00 43.23 H new ATOM 0 HB3 TRP A 45 16.964 25.421 4.113 1.00 43.23 H new ATOM 0 HD1 TRP A 45 14.830 22.734 5.946 1.00 10.12 H new ATOM 0 HE1 TRP A 45 12.353 23.012 5.254 1.00 12.31 H new ATOM 0 HE3 TRP A 45 15.442 26.378 2.416 1.00 14.41 H new ATOM 0 HZ2 TRP A 45 10.900 24.593 3.438 1.00 53.25 H new ATOM 0 HZ3 TRP A 45 13.453 27.227 1.236 1.00 1.12 H new ATOM 0 HH2 TRP A 45 11.211 26.346 1.744 1.00 1.21 H new ATOM 658 N ASP A 46 19.534 24.368 3.040 1.00 40.32 N ATOM 659 CA ASP A 46 20.960 24.673 3.067 1.00 52.30 C ATOM 660 C ASP A 46 21.238 26.027 2.421 1.00 3.01 C ATOM 661 O ASP A 46 20.570 26.418 1.464 1.00 4.40 O ATOM 662 CB ASP A 46 21.751 23.579 2.349 1.00 40.14 C ATOM 663 CG ASP A 46 22.072 22.407 3.255 1.00 4.20 C ATOM 664 OD1 ASP A 46 22.719 22.626 4.300 1.00 10.25 O ATOM 665 OD2 ASP A 46 21.678 21.271 2.919 1.00 61.25 O ATOM 0 H ASP A 46 19.025 24.798 2.268 1.00 40.32 H new ATOM 0 HA ASP A 46 21.278 24.715 4.109 1.00 52.30 H new ATOM 0 HB2 ASP A 46 21.179 23.225 1.491 1.00 40.14 H new ATOM 0 HB3 ASP A 46 22.679 24.000 1.962 1.00 40.14 H new ATOM 670 N SER A 47 22.228 26.738 2.952 1.00 61.21 N ATOM 671 CA SER A 47 22.592 28.050 2.430 1.00 11.14 C ATOM 672 C SER A 47 23.917 27.987 1.676 1.00 33.04 C ATOM 673 O SER A 47 24.788 27.179 1.997 1.00 3.13 O ATOM 674 CB SER A 47 22.689 29.066 3.570 1.00 55.31 C ATOM 675 OG SER A 47 23.030 30.351 3.080 1.00 55.43 O ATOM 0 H SER A 47 22.792 26.427 3.743 1.00 61.21 H new ATOM 0 HA SER A 47 21.814 28.366 1.735 1.00 11.14 H new ATOM 0 HB2 SER A 47 21.737 29.116 4.099 1.00 55.31 H new ATOM 0 HB3 SER A 47 23.438 28.738 4.291 1.00 55.31 H new ATOM 0 HG SER A 47 22.266 30.955 3.186 1.00 55.43 H new ATOM 681 N SER A 48 24.060 28.846 0.672 1.00 23.40 N ATOM 682 CA SER A 48 25.277 28.886 -0.131 1.00 73.02 C ATOM 683 C SER A 48 26.491 29.202 0.737 1.00 53.41 C ATOM 684 O SER A 48 27.172 28.301 1.223 1.00 34.42 O ATOM 685 CB SER A 48 25.145 29.929 -1.243 1.00 33.31 C ATOM 686 OG SER A 48 26.395 30.174 -1.863 1.00 71.45 O ATOM 0 H SER A 48 23.349 29.523 0.395 1.00 23.40 H new ATOM 0 HA SER A 48 25.419 27.903 -0.579 1.00 73.02 H new ATOM 0 HB2 SER A 48 24.428 29.583 -1.987 1.00 33.31 H new ATOM 0 HB3 SER A 48 24.752 30.858 -0.830 1.00 33.31 H new ATOM 0 HG SER A 48 26.284 30.843 -2.571 1.00 71.45 H new ATOM 692 N ASN A 49 26.755 30.491 0.926 1.00 10.15 N ATOM 693 CA ASN A 49 27.887 30.928 1.735 1.00 1.33 C ATOM 694 C ASN A 49 28.062 32.442 1.654 1.00 72.34 C ATOM 695 O ASN A 49 27.800 33.054 0.618 1.00 72.35 O ATOM 696 CB ASN A 49 29.169 30.230 1.276 1.00 53.12 C ATOM 697 CG ASN A 49 30.418 30.924 1.781 1.00 4.54 C ATOM 698 OD1 ASN A 49 31.259 31.362 0.996 1.00 5.43 O ATOM 699 ND2 ASN A 49 30.546 31.028 3.099 1.00 34.32 N ATOM 0 H ASN A 49 26.201 31.250 0.530 1.00 10.15 H new ATOM 0 HA ASN A 49 27.686 30.658 2.772 1.00 1.33 H new ATOM 0 HB2 ASN A 49 29.163 29.198 1.627 1.00 53.12 H new ATOM 0 HB3 ASN A 49 29.191 30.196 0.187 1.00 53.12 H new ATOM 0 HD21 ASN A 49 31.366 31.485 3.497 1.00 34.32 H new ATOM 0 HD22 ASN A 49 29.824 30.651 3.713 1.00 34.32 H new ATOM 706 N THR A 50 28.507 33.041 2.754 1.00 62.13 N ATOM 707 CA THR A 50 28.717 34.482 2.808 1.00 53.14 C ATOM 708 C THR A 50 29.627 34.862 3.970 1.00 14.30 C ATOM 709 O THR A 50 30.794 35.200 3.772 1.00 11.24 O ATOM 710 CB THR A 50 27.382 35.239 2.946 1.00 4.00 C ATOM 711 OG1 THR A 50 26.533 34.942 1.832 1.00 10.40 O ATOM 712 CG2 THR A 50 27.617 36.740 3.026 1.00 63.14 C ATOM 0 H THR A 50 28.729 32.550 3.620 1.00 62.13 H new ATOM 0 HA THR A 50 29.193 34.768 1.870 1.00 53.14 H new ATOM 0 HB THR A 50 26.898 34.914 3.867 1.00 4.00 H new ATOM 0 HG1 THR A 50 27.061 34.522 1.121 1.00 10.40 H new ATOM 0 HG21 THR A 50 26.660 37.253 3.123 1.00 63.14 H new ATOM 0 HG22 THR A 50 28.239 36.965 3.892 1.00 63.14 H new ATOM 0 HG23 THR A 50 28.120 37.078 2.120 1.00 63.14 H new ATOM 720 N ASP A 51 29.086 34.805 5.182 1.00 74.51 N ATOM 721 CA ASP A 51 29.850 35.141 6.377 1.00 10.43 C ATOM 722 C ASP A 51 29.510 34.194 7.524 1.00 4.41 C ATOM 723 O ASP A 51 30.353 33.413 7.967 1.00 1.52 O ATOM 724 CB ASP A 51 29.574 36.587 6.794 1.00 23.24 C ATOM 725 CG ASP A 51 30.846 37.352 7.106 1.00 75.11 C ATOM 726 OD1 ASP A 51 31.772 36.750 7.688 1.00 41.34 O ATOM 727 OD2 ASP A 51 30.914 38.553 6.769 1.00 75.33 O ATOM 0 H ASP A 51 28.121 34.529 5.363 1.00 74.51 H new ATOM 0 HA ASP A 51 30.909 35.034 6.143 1.00 10.43 H new ATOM 0 HB2 ASP A 51 29.034 37.096 5.995 1.00 23.24 H new ATOM 0 HB3 ASP A 51 28.926 36.592 7.670 1.00 23.24 H new ATOM 732 N ILE A 52 28.272 34.270 8.000 1.00 4.45 N ATOM 733 CA ILE A 52 27.822 33.420 9.095 1.00 2.15 C ATOM 734 C ILE A 52 26.368 33.004 8.906 1.00 74.31 C ATOM 735 O ILE A 52 25.450 33.694 9.350 1.00 15.25 O ATOM 736 CB ILE A 52 27.969 34.129 10.455 1.00 34.51 C ATOM 737 CG1 ILE A 52 29.434 34.482 10.715 1.00 3.23 C ATOM 738 CG2 ILE A 52 27.424 33.250 11.571 1.00 11.04 C ATOM 739 CD1 ILE A 52 29.659 35.203 12.026 1.00 35.23 C ATOM 0 H ILE A 52 27.563 34.911 7.645 1.00 4.45 H new ATOM 0 HA ILE A 52 28.455 32.533 9.087 1.00 2.15 H new ATOM 0 HB ILE A 52 27.391 35.053 10.431 1.00 34.51 H new ATOM 0 HG12 ILE A 52 30.027 33.567 10.707 1.00 3.23 H new ATOM 0 HG13 ILE A 52 29.799 35.106 9.899 1.00 3.23 H new ATOM 0 HG21 ILE A 52 27.535 33.764 12.526 1.00 11.04 H new ATOM 0 HG22 ILE A 52 26.369 33.044 11.390 1.00 11.04 H new ATOM 0 HG23 ILE A 52 27.977 32.311 11.598 1.00 11.04 H new ATOM 0 HD11 ILE A 52 30.720 35.422 12.144 1.00 35.23 H new ATOM 0 HD12 ILE A 52 29.094 36.135 12.030 1.00 35.23 H new ATOM 0 HD13 ILE A 52 29.325 34.572 12.850 1.00 35.23 H new ATOM 751 N LEU A 53 26.164 31.870 8.245 1.00 61.43 N ATOM 752 CA LEU A 53 24.820 31.359 7.997 1.00 22.34 C ATOM 753 C LEU A 53 24.626 29.996 8.655 1.00 63.03 C ATOM 754 O LEU A 53 25.520 29.150 8.628 1.00 71.23 O ATOM 755 CB LEU A 53 24.562 31.254 6.493 1.00 20.54 C ATOM 756 CG LEU A 53 25.664 30.588 5.668 1.00 32.21 C ATOM 757 CD1 LEU A 53 25.551 29.073 5.750 1.00 53.54 C ATOM 758 CD2 LEU A 53 25.600 31.052 4.220 1.00 0.13 C ATOM 0 H LEU A 53 26.912 31.286 7.871 1.00 61.43 H new ATOM 0 HA LEU A 53 24.106 32.057 8.433 1.00 22.34 H new ATOM 0 HB2 LEU A 53 23.636 30.699 6.341 1.00 20.54 H new ATOM 0 HB3 LEU A 53 24.399 32.258 6.102 1.00 20.54 H new ATOM 0 HG LEU A 53 26.629 30.882 6.081 1.00 32.21 H new ATOM 0 HD11 LEU A 53 26.343 28.616 5.157 1.00 53.54 H new ATOM 0 HD12 LEU A 53 25.647 28.757 6.789 1.00 53.54 H new ATOM 0 HD13 LEU A 53 24.581 28.759 5.363 1.00 53.54 H new ATOM 0 HD21 LEU A 53 26.391 30.568 3.648 1.00 0.13 H new ATOM 0 HD22 LEU A 53 24.631 30.788 3.796 1.00 0.13 H new ATOM 0 HD23 LEU A 53 25.731 32.133 4.178 1.00 0.13 H new ATOM 770 N SER A 54 23.452 29.790 9.243 1.00 42.11 N ATOM 771 CA SER A 54 23.141 28.530 9.909 1.00 42.55 C ATOM 772 C SER A 54 21.722 28.078 9.580 1.00 54.42 C ATOM 773 O SER A 54 20.801 28.893 9.507 1.00 34.40 O ATOM 774 CB SER A 54 23.305 28.676 11.423 1.00 73.53 C ATOM 775 OG SER A 54 24.626 29.061 11.758 1.00 3.23 O ATOM 0 H SER A 54 22.700 30.479 9.272 1.00 42.11 H new ATOM 0 HA SER A 54 23.837 27.774 9.547 1.00 42.55 H new ATOM 0 HB2 SER A 54 22.600 29.418 11.798 1.00 73.53 H new ATOM 0 HB3 SER A 54 23.063 27.732 11.911 1.00 73.53 H new ATOM 0 HG SER A 54 24.704 29.149 12.731 1.00 3.23 H new ATOM 781 N ILE A 55 21.553 26.775 9.382 1.00 3.34 N ATOM 782 CA ILE A 55 20.247 26.214 9.063 1.00 54.25 C ATOM 783 C ILE A 55 19.858 25.125 10.057 1.00 54.42 C ATOM 784 O ILE A 55 20.622 24.193 10.303 1.00 65.24 O ATOM 785 CB ILE A 55 20.219 25.627 7.639 1.00 41.21 C ATOM 786 CG1 ILE A 55 18.811 25.141 7.291 1.00 14.13 C ATOM 787 CG2 ILE A 55 21.223 24.491 7.515 1.00 21.11 C ATOM 788 CD1 ILE A 55 17.774 26.243 7.290 1.00 43.03 C ATOM 0 H ILE A 55 22.305 26.088 9.437 1.00 3.34 H new ATOM 0 HA ILE A 55 19.529 27.032 9.125 1.00 54.25 H new ATOM 0 HB ILE A 55 20.497 26.410 6.934 1.00 41.21 H new ATOM 0 HG12 ILE A 55 18.830 24.671 6.308 1.00 14.13 H new ATOM 0 HG13 ILE A 55 18.513 24.374 8.006 1.00 14.13 H new ATOM 0 HG21 ILE A 55 21.192 24.086 6.503 1.00 21.11 H new ATOM 0 HG22 ILE A 55 22.225 24.866 7.725 1.00 21.11 H new ATOM 0 HG23 ILE A 55 20.973 23.705 8.228 1.00 21.11 H new ATOM 0 HD11 ILE A 55 16.800 25.826 7.035 1.00 43.03 H new ATOM 0 HD12 ILE A 55 17.726 26.698 8.279 1.00 43.03 H new ATOM 0 HD13 ILE A 55 18.048 27.000 6.555 1.00 43.03 H new ATOM 800 N SER A 56 18.662 25.250 10.625 1.00 63.02 N ATOM 801 CA SER A 56 18.172 24.278 11.594 1.00 34.53 C ATOM 802 C SER A 56 16.817 23.720 11.167 1.00 65.25 C ATOM 803 O SER A 56 15.814 24.432 11.162 1.00 22.54 O ATOM 804 CB SER A 56 18.057 24.919 12.979 1.00 64.14 C ATOM 805 OG SER A 56 18.587 24.068 13.980 1.00 33.42 O ATOM 0 H SER A 56 18.016 26.015 10.430 1.00 63.02 H new ATOM 0 HA SER A 56 18.887 23.456 11.639 1.00 34.53 H new ATOM 0 HB2 SER A 56 18.588 25.871 12.988 1.00 64.14 H new ATOM 0 HB3 SER A 56 17.011 25.135 13.197 1.00 64.14 H new ATOM 0 HG SER A 56 18.503 24.501 14.855 1.00 33.42 H new ATOM 811 N ASN A 57 16.799 22.440 10.807 1.00 55.42 N ATOM 812 CA ASN A 57 15.568 21.786 10.376 1.00 25.34 C ATOM 813 C ASN A 57 15.327 20.506 11.171 1.00 73.11 C ATOM 814 O ASN A 57 15.239 19.418 10.603 1.00 72.22 O ATOM 815 CB ASN A 57 15.632 21.467 8.881 1.00 22.33 C ATOM 816 CG ASN A 57 16.248 22.594 8.075 1.00 24.14 C ATOM 817 OD1 ASN A 57 17.314 22.435 7.479 1.00 54.11 O ATOM 818 ND2 ASN A 57 15.579 23.741 8.055 1.00 63.22 N ATOM 0 H ASN A 57 17.621 21.836 10.805 1.00 55.42 H new ATOM 0 HA ASN A 57 14.739 22.469 10.559 1.00 25.34 H new ATOM 0 HB2 ASN A 57 16.213 20.557 8.731 1.00 22.33 H new ATOM 0 HB3 ASN A 57 14.626 21.267 8.512 1.00 22.33 H new ATOM 0 HD21 ASN A 57 15.945 24.536 7.531 1.00 63.22 H new ATOM 0 HD22 ASN A 57 14.699 23.827 8.564 1.00 63.22 H new ATOM 825 N ALA A 58 15.219 20.645 12.488 1.00 5.12 N ATOM 826 CA ALA A 58 14.985 19.501 13.361 1.00 41.23 C ATOM 827 C ALA A 58 14.863 19.937 14.817 1.00 44.21 C ATOM 828 O ALA A 58 15.251 19.206 15.728 1.00 33.02 O ATOM 829 CB ALA A 58 16.103 18.481 13.205 1.00 60.11 C ATOM 0 H ALA A 58 15.290 21.539 12.974 1.00 5.12 H new ATOM 0 HA ALA A 58 14.043 19.038 13.068 1.00 41.23 H new ATOM 0 HB1 ALA A 58 15.915 17.632 13.863 1.00 60.11 H new ATOM 0 HB2 ALA A 58 16.141 18.138 12.171 1.00 60.11 H new ATOM 0 HB3 ALA A 58 17.055 18.941 13.469 1.00 60.11 H new ATOM 835 N SER A 59 14.324 21.133 15.028 1.00 12.45 N ATOM 836 CA SER A 59 14.155 21.669 16.374 1.00 25.24 C ATOM 837 C SER A 59 12.927 21.067 17.049 1.00 75.33 C ATOM 838 O SER A 59 12.788 21.118 18.271 1.00 72.10 O ATOM 839 CB SER A 59 14.030 23.193 16.328 1.00 65.21 C ATOM 840 OG SER A 59 13.539 23.626 15.071 1.00 3.23 O ATOM 0 H SER A 59 13.997 21.750 14.284 1.00 12.45 H new ATOM 0 HA SER A 59 15.036 21.402 16.957 1.00 25.24 H new ATOM 0 HB2 SER A 59 13.361 23.530 17.119 1.00 65.21 H new ATOM 0 HB3 SER A 59 15.003 23.647 16.518 1.00 65.21 H new ATOM 0 HG SER A 59 13.466 24.603 15.067 1.00 3.23 H new ATOM 846 N ASP A 60 12.037 20.497 16.243 1.00 23.31 N ATOM 847 CA ASP A 60 10.820 19.883 16.760 1.00 14.23 C ATOM 848 C ASP A 60 9.961 19.337 15.624 1.00 51.43 C ATOM 849 O ASP A 60 9.275 18.327 15.780 1.00 5.13 O ATOM 850 CB ASP A 60 10.020 20.898 17.578 1.00 14.14 C ATOM 851 CG ASP A 60 10.001 22.272 16.938 1.00 3.32 C ATOM 852 OD1 ASP A 60 9.180 22.489 16.023 1.00 1.01 O ATOM 853 OD2 ASP A 60 10.809 23.131 17.352 1.00 71.32 O ATOM 0 H ASP A 60 12.136 20.448 15.229 1.00 23.31 H new ATOM 0 HA ASP A 60 11.107 19.053 17.405 1.00 14.23 H new ATOM 0 HB2 ASP A 60 8.997 20.541 17.695 1.00 14.14 H new ATOM 0 HB3 ASP A 60 10.448 20.972 18.578 1.00 14.14 H new ATOM 858 N SER A 61 10.003 20.013 14.480 1.00 12.50 N ATOM 859 CA SER A 61 9.225 19.599 13.318 1.00 12.33 C ATOM 860 C SER A 61 9.402 20.584 12.167 1.00 54.42 C ATOM 861 O SER A 61 9.708 20.192 11.040 1.00 0.14 O ATOM 862 CB SER A 61 7.744 19.485 13.684 1.00 13.42 C ATOM 863 OG SER A 61 7.327 20.586 14.473 1.00 1.40 O ATOM 0 H SER A 61 10.568 20.850 14.333 1.00 12.50 H new ATOM 0 HA SER A 61 9.589 18.623 12.997 1.00 12.33 H new ATOM 0 HB2 SER A 61 7.144 19.437 12.775 1.00 13.42 H new ATOM 0 HB3 SER A 61 7.571 18.557 14.229 1.00 13.42 H new ATOM 0 HG SER A 61 6.377 20.490 14.692 1.00 1.40 H new ATOM 869 N HIS A 62 9.206 21.867 12.458 1.00 70.41 N ATOM 870 CA HIS A 62 9.344 22.910 11.448 1.00 61.44 C ATOM 871 C HIS A 62 10.807 23.308 11.274 1.00 34.22 C ATOM 872 O HIS A 62 11.597 23.232 12.214 1.00 15.34 O ATOM 873 CB HIS A 62 8.512 24.134 11.831 1.00 21.31 C ATOM 874 CG HIS A 62 7.180 24.190 11.149 1.00 33.24 C ATOM 875 ND1 HIS A 62 6.544 23.074 10.646 1.00 2.31 N ATOM 876 CD2 HIS A 62 6.361 25.236 10.890 1.00 1.24 C ATOM 877 CE1 HIS A 62 5.393 23.432 10.106 1.00 43.45 C ATOM 878 NE2 HIS A 62 5.258 24.739 10.241 1.00 51.21 N ATOM 0 H HIS A 62 8.951 22.209 13.385 1.00 70.41 H new ATOM 0 HA HIS A 62 8.979 22.514 10.500 1.00 61.44 H new ATOM 0 HB2 HIS A 62 8.359 24.136 12.910 1.00 21.31 H new ATOM 0 HB3 HIS A 62 9.074 25.036 11.587 1.00 21.31 H new ATOM 0 HD1 HIS A 62 6.906 22.121 10.685 1.00 2.31 H new ATOM 0 HD2 HIS A 62 6.542 26.269 11.146 1.00 1.24 H new ATOM 0 HE1 HIS A 62 4.683 22.769 9.634 1.00 43.45 H new ATOM 886 N GLY A 63 11.160 23.732 10.065 1.00 65.55 N ATOM 887 CA GLY A 63 12.527 24.134 9.790 1.00 44.20 C ATOM 888 C GLY A 63 12.703 25.640 9.809 1.00 23.42 C ATOM 889 O GLY A 63 11.949 26.369 9.163 1.00 22.33 O ATOM 0 H GLY A 63 10.524 23.804 9.271 1.00 65.55 H new ATOM 0 HA2 GLY A 63 13.190 23.684 10.529 1.00 44.20 H new ATOM 0 HA3 GLY A 63 12.827 23.748 8.816 1.00 44.20 H new ATOM 893 N LEU A 64 13.700 26.108 10.552 1.00 32.35 N ATOM 894 CA LEU A 64 13.972 27.537 10.655 1.00 52.31 C ATOM 895 C LEU A 64 15.332 27.877 10.054 1.00 11.20 C ATOM 896 O LEU A 64 16.260 27.070 10.098 1.00 50.34 O ATOM 897 CB LEU A 64 13.922 27.982 12.118 1.00 41.44 C ATOM 898 CG LEU A 64 12.527 28.156 12.719 1.00 1.03 C ATOM 899 CD1 LEU A 64 11.833 26.810 12.856 1.00 25.42 C ATOM 900 CD2 LEU A 64 12.612 28.854 14.069 1.00 55.33 C ATOM 0 H LEU A 64 14.333 25.518 11.092 1.00 32.35 H new ATOM 0 HA LEU A 64 13.204 28.069 10.094 1.00 52.31 H new ATOM 0 HB2 LEU A 64 14.466 27.252 12.718 1.00 41.44 H new ATOM 0 HB3 LEU A 64 14.455 28.929 12.207 1.00 41.44 H new ATOM 0 HG LEU A 64 11.937 28.779 12.046 1.00 1.03 H new ATOM 0 HD11 LEU A 64 10.842 26.954 13.285 1.00 25.42 H new ATOM 0 HD12 LEU A 64 11.739 26.347 11.874 1.00 25.42 H new ATOM 0 HD13 LEU A 64 12.420 26.163 13.507 1.00 25.42 H new ATOM 0 HD21 LEU A 64 11.610 28.970 14.482 1.00 55.33 H new ATOM 0 HD22 LEU A 64 13.219 28.257 14.750 1.00 55.33 H new ATOM 0 HD23 LEU A 64 13.068 29.836 13.943 1.00 55.33 H new ATOM 912 N ALA A 65 15.443 29.078 9.495 1.00 32.03 N ATOM 913 CA ALA A 65 16.690 29.526 8.890 1.00 45.53 C ATOM 914 C ALA A 65 17.285 30.700 9.661 1.00 35.03 C ATOM 915 O ALA A 65 16.646 31.741 9.816 1.00 74.31 O ATOM 916 CB ALA A 65 16.463 29.910 7.435 1.00 61.21 C ATOM 0 H ALA A 65 14.684 29.758 9.449 1.00 32.03 H new ATOM 0 HA ALA A 65 17.401 28.701 8.931 1.00 45.53 H new ATOM 0 HB1 ALA A 65 17.403 30.243 6.996 1.00 61.21 H new ATOM 0 HB2 ALA A 65 16.091 29.046 6.884 1.00 61.21 H new ATOM 0 HB3 ALA A 65 15.732 30.717 7.381 1.00 61.21 H new ATOM 922 N SER A 66 18.510 30.525 10.144 1.00 24.12 N ATOM 923 CA SER A 66 19.189 31.568 10.904 1.00 11.31 C ATOM 924 C SER A 66 20.212 32.295 10.036 1.00 74.22 C ATOM 925 O SER A 66 21.156 31.689 9.529 1.00 64.11 O ATOM 926 CB SER A 66 19.879 30.968 12.131 1.00 52.52 C ATOM 927 OG SER A 66 20.228 31.977 13.063 1.00 24.22 O ATOM 0 H SER A 66 19.053 29.670 10.023 1.00 24.12 H new ATOM 0 HA SER A 66 18.440 32.288 11.233 1.00 11.31 H new ATOM 0 HB2 SER A 66 19.218 30.243 12.606 1.00 52.52 H new ATOM 0 HB3 SER A 66 20.774 30.429 11.822 1.00 52.52 H new ATOM 0 HG SER A 66 20.666 31.568 13.839 1.00 24.22 H new ATOM 933 N THR A 67 20.016 33.599 9.868 1.00 42.10 N ATOM 934 CA THR A 67 20.919 34.410 9.061 1.00 63.43 C ATOM 935 C THR A 67 21.756 35.337 9.935 1.00 55.12 C ATOM 936 O THR A 67 21.223 36.058 10.779 1.00 0.54 O ATOM 937 CB THR A 67 20.147 35.253 8.029 1.00 14.22 C ATOM 938 OG1 THR A 67 19.643 36.442 8.648 1.00 51.45 O ATOM 939 CG2 THR A 67 18.994 34.458 7.434 1.00 65.02 C ATOM 0 H THR A 67 19.240 34.116 10.280 1.00 42.10 H new ATOM 0 HA THR A 67 21.578 33.720 8.534 1.00 63.43 H new ATOM 0 HB THR A 67 20.833 35.523 7.227 1.00 14.22 H new ATOM 0 HG1 THR A 67 19.886 36.445 9.598 1.00 51.45 H new ATOM 0 HG21 THR A 67 18.464 35.074 6.708 1.00 65.02 H new ATOM 0 HG22 THR A 67 19.383 33.568 6.939 1.00 65.02 H new ATOM 0 HG23 THR A 67 18.308 34.162 8.228 1.00 65.02 H new ATOM 947 N LEU A 68 23.067 35.315 9.727 1.00 64.40 N ATOM 948 CA LEU A 68 23.978 36.155 10.496 1.00 4.12 C ATOM 949 C LEU A 68 25.160 36.602 9.641 1.00 11.13 C ATOM 950 O LEU A 68 26.211 36.971 10.163 1.00 64.14 O ATOM 951 CB LEU A 68 24.482 35.401 11.728 1.00 21.01 C ATOM 952 CG LEU A 68 23.427 34.624 12.517 1.00 5.32 C ATOM 953 CD1 LEU A 68 23.243 33.232 11.934 1.00 34.11 C ATOM 954 CD2 LEU A 68 23.814 34.542 13.987 1.00 43.03 C ATOM 0 H LEU A 68 23.524 34.724 9.032 1.00 64.40 H new ATOM 0 HA LEU A 68 23.431 37.041 10.818 1.00 4.12 H new ATOM 0 HB2 LEU A 68 25.257 34.703 11.410 1.00 21.01 H new ATOM 0 HB3 LEU A 68 24.955 36.118 12.400 1.00 21.01 H new ATOM 0 HG LEU A 68 22.479 35.156 12.441 1.00 5.32 H new ATOM 0 HD11 LEU A 68 22.489 32.694 12.508 1.00 34.11 H new ATOM 0 HD12 LEU A 68 22.920 33.312 10.896 1.00 34.11 H new ATOM 0 HD13 LEU A 68 24.188 32.691 11.979 1.00 34.11 H new ATOM 0 HD21 LEU A 68 23.052 33.986 14.533 1.00 43.03 H new ATOM 0 HD22 LEU A 68 24.773 34.033 14.083 1.00 43.03 H new ATOM 0 HD23 LEU A 68 23.894 35.548 14.399 1.00 43.03 H new ATOM 966 N ASN A 69 24.978 36.568 8.325 1.00 13.32 N ATOM 967 CA ASN A 69 26.028 36.972 7.398 1.00 63.45 C ATOM 968 C ASN A 69 25.904 38.451 7.044 1.00 35.51 C ATOM 969 O ASN A 69 24.949 39.116 7.446 1.00 25.20 O ATOM 970 CB ASN A 69 25.966 36.125 6.125 1.00 64.42 C ATOM 971 CG ASN A 69 24.597 36.159 5.474 1.00 63.34 C ATOM 972 OD1 ASN A 69 24.284 37.071 4.708 1.00 22.24 O ATOM 973 ND2 ASN A 69 23.774 35.162 5.776 1.00 73.33 N ATOM 0 H ASN A 69 24.113 36.265 7.877 1.00 13.32 H new ATOM 0 HA ASN A 69 26.989 36.814 7.887 1.00 63.45 H new ATOM 0 HB2 ASN A 69 26.712 36.485 5.416 1.00 64.42 H new ATOM 0 HB3 ASN A 69 26.226 35.094 6.365 1.00 64.42 H new ATOM 0 HD21 ASN A 69 22.840 35.131 5.368 1.00 73.33 H new ATOM 0 HD22 ASN A 69 24.076 34.427 6.416 1.00 73.33 H new ATOM 980 N GLN A 70 26.874 38.957 6.290 1.00 74.13 N ATOM 981 CA GLN A 70 26.872 40.357 5.882 1.00 31.13 C ATOM 982 C GLN A 70 26.949 40.482 4.364 1.00 1.33 C ATOM 983 O GLN A 70 27.914 41.022 3.824 1.00 32.32 O ATOM 984 CB GLN A 70 28.044 41.099 6.527 1.00 14.04 C ATOM 985 CG GLN A 70 28.286 40.710 7.977 1.00 40.41 C ATOM 986 CD GLN A 70 29.404 41.510 8.617 1.00 51.05 C ATOM 987 OE1 GLN A 70 29.214 42.144 9.655 1.00 54.34 O ATOM 988 NE2 GLN A 70 30.579 41.484 7.999 1.00 41.02 N ATOM 0 H GLN A 70 27.671 38.419 5.949 1.00 74.13 H new ATOM 0 HA GLN A 70 25.937 40.806 6.218 1.00 31.13 H new ATOM 0 HB2 GLN A 70 28.948 40.903 5.951 1.00 14.04 H new ATOM 0 HB3 GLN A 70 27.858 42.172 6.473 1.00 14.04 H new ATOM 0 HG2 GLN A 70 27.368 40.856 8.546 1.00 40.41 H new ATOM 0 HG3 GLN A 70 28.528 39.649 8.029 1.00 40.41 H new ATOM 0 HE21 GLN A 70 30.692 40.945 7.140 1.00 41.02 H new ATOM 0 HE22 GLN A 70 31.369 42.003 8.383 1.00 41.02 H new ATOM 997 N GLY A 71 25.925 39.979 3.681 1.00 43.41 N ATOM 998 CA GLY A 71 25.897 40.045 2.231 1.00 24.34 C ATOM 999 C GLY A 71 24.666 39.383 1.645 1.00 65.52 C ATOM 1000 O GLY A 71 23.572 39.495 2.195 1.00 73.24 O ATOM 0 H GLY A 71 25.115 39.527 4.105 1.00 43.41 H new ATOM 0 HA2 GLY A 71 25.929 41.088 1.917 1.00 24.34 H new ATOM 0 HA3 GLY A 71 26.790 39.564 1.831 1.00 24.34 H new ATOM 1004 N ASN A 72 24.846 38.691 0.524 1.00 53.42 N ATOM 1005 CA ASN A 72 23.740 38.010 -0.139 1.00 54.44 C ATOM 1006 C ASN A 72 24.016 36.515 -0.261 1.00 42.05 C ATOM 1007 O ASN A 72 25.088 36.105 -0.708 1.00 11.34 O ATOM 1008 CB ASN A 72 23.501 38.611 -1.526 1.00 43.32 C ATOM 1009 CG ASN A 72 24.781 39.114 -2.166 1.00 51.11 C ATOM 1010 OD1 ASN A 72 25.414 38.409 -2.951 1.00 62.45 O ATOM 1011 ND2 ASN A 72 25.168 40.340 -1.832 1.00 35.34 N ATOM 0 H ASN A 72 25.747 38.587 0.056 1.00 53.42 H new ATOM 0 HA ASN A 72 22.845 38.148 0.468 1.00 54.44 H new ATOM 0 HB2 ASN A 72 23.046 37.859 -2.171 1.00 43.32 H new ATOM 0 HB3 ASN A 72 22.791 39.434 -1.445 1.00 43.32 H new ATOM 0 HD21 ASN A 72 26.021 40.732 -2.231 1.00 35.34 H new ATOM 0 HD22 ASN A 72 24.612 40.890 -1.177 1.00 35.34 H new ATOM 1018 N VAL A 73 23.042 35.704 0.138 1.00 74.13 N ATOM 1019 CA VAL A 73 23.179 34.254 0.072 1.00 73.13 C ATOM 1020 C VAL A 73 21.986 33.621 -0.635 1.00 74.24 C ATOM 1021 O VAL A 73 20.967 34.273 -0.864 1.00 51.40 O ATOM 1022 CB VAL A 73 23.314 33.638 1.477 1.00 4.41 C ATOM 1023 CG1 VAL A 73 24.595 32.825 1.583 1.00 64.05 C ATOM 1024 CG2 VAL A 73 23.274 34.725 2.540 1.00 3.45 C ATOM 0 H VAL A 73 22.149 36.027 0.511 1.00 74.13 H new ATOM 0 HA VAL A 73 24.086 34.048 -0.496 1.00 73.13 H new ATOM 0 HB VAL A 73 22.471 32.967 1.643 1.00 4.41 H new ATOM 0 HG11 VAL A 73 24.673 32.398 2.583 1.00 64.05 H new ATOM 0 HG12 VAL A 73 24.579 32.023 0.846 1.00 64.05 H new ATOM 0 HG13 VAL A 73 25.453 33.471 1.397 1.00 64.05 H new ATOM 0 HG21 VAL A 73 23.371 34.273 3.527 1.00 3.45 H new ATOM 0 HG22 VAL A 73 24.096 35.422 2.378 1.00 3.45 H new ATOM 0 HG23 VAL A 73 22.327 35.260 2.478 1.00 3.45 H new ATOM 1034 N LYS A 74 22.118 32.344 -0.980 1.00 0.34 N ATOM 1035 CA LYS A 74 21.051 31.620 -1.660 1.00 32.04 C ATOM 1036 C LYS A 74 20.727 30.319 -0.932 1.00 61.12 C ATOM 1037 O LYS A 74 21.616 29.513 -0.655 1.00 53.12 O ATOM 1038 CB LYS A 74 21.450 31.322 -3.107 1.00 2.05 C ATOM 1039 CG LYS A 74 20.267 31.197 -4.051 1.00 31.44 C ATOM 1040 CD LYS A 74 19.693 29.790 -4.042 1.00 21.33 C ATOM 1041 CE LYS A 74 20.420 28.885 -5.025 1.00 52.22 C ATOM 1042 NZ LYS A 74 20.031 29.172 -6.434 1.00 32.52 N ATOM 0 H LYS A 74 22.955 31.789 -0.799 1.00 0.34 H new ATOM 0 HA LYS A 74 20.161 32.249 -1.658 1.00 32.04 H new ATOM 0 HB2 LYS A 74 22.107 32.115 -3.464 1.00 2.05 H new ATOM 0 HB3 LYS A 74 22.024 30.396 -3.133 1.00 2.05 H new ATOM 0 HG2 LYS A 74 19.493 31.908 -3.762 1.00 31.44 H new ATOM 0 HG3 LYS A 74 20.578 31.458 -5.063 1.00 31.44 H new ATOM 0 HD2 LYS A 74 19.767 29.372 -3.038 1.00 21.33 H new ATOM 0 HD3 LYS A 74 18.633 29.827 -4.295 1.00 21.33 H new ATOM 0 HE2 LYS A 74 21.496 29.015 -4.911 1.00 52.22 H new ATOM 0 HE3 LYS A 74 20.199 27.843 -4.792 1.00 52.22 H new ATOM 0 HZ1 LYS A 74 20.369 28.405 -7.050 1.00 32.52 H new ATOM 0 HZ2 LYS A 74 18.995 29.240 -6.501 1.00 32.52 H new ATOM 0 HZ3 LYS A 74 20.457 30.072 -6.735 1.00 32.52 H new ATOM 1056 N VAL A 75 19.449 30.119 -0.627 1.00 11.25 N ATOM 1057 CA VAL A 75 19.008 28.915 0.066 1.00 34.42 C ATOM 1058 C VAL A 75 18.489 27.873 -0.919 1.00 22.12 C ATOM 1059 O VAL A 75 17.810 28.205 -1.891 1.00 71.51 O ATOM 1060 CB VAL A 75 17.903 29.230 1.092 1.00 73.21 C ATOM 1061 CG1 VAL A 75 17.401 27.952 1.746 1.00 21.35 C ATOM 1062 CG2 VAL A 75 18.411 30.210 2.138 1.00 4.20 C ATOM 0 H VAL A 75 18.701 30.776 -0.849 1.00 11.25 H new ATOM 0 HA VAL A 75 19.877 28.516 0.590 1.00 34.42 H new ATOM 0 HB VAL A 75 17.067 29.694 0.568 1.00 73.21 H new ATOM 0 HG11 VAL A 75 16.621 28.195 2.468 1.00 21.35 H new ATOM 0 HG12 VAL A 75 16.995 27.288 0.983 1.00 21.35 H new ATOM 0 HG13 VAL A 75 18.226 27.456 2.257 1.00 21.35 H new ATOM 0 HG21 VAL A 75 17.617 30.421 2.855 1.00 4.20 H new ATOM 0 HG22 VAL A 75 19.264 29.776 2.659 1.00 4.20 H new ATOM 0 HG23 VAL A 75 18.716 31.136 1.651 1.00 4.20 H new ATOM 1072 N THR A 76 18.814 26.610 -0.661 1.00 74.42 N ATOM 1073 CA THR A 76 18.382 25.518 -1.525 1.00 14.10 C ATOM 1074 C THR A 76 17.984 24.294 -0.708 1.00 1.44 C ATOM 1075 O THR A 76 18.804 23.724 0.012 1.00 75.35 O ATOM 1076 CB THR A 76 19.487 25.119 -2.521 1.00 54.23 C ATOM 1077 OG1 THR A 76 20.448 26.174 -2.635 1.00 53.43 O ATOM 1078 CG2 THR A 76 18.897 24.814 -3.890 1.00 33.42 C ATOM 0 H THR A 76 19.375 26.318 0.139 1.00 74.42 H new ATOM 0 HA THR A 76 17.516 25.878 -2.080 1.00 14.10 H new ATOM 0 HB THR A 76 19.977 24.221 -2.145 1.00 54.23 H new ATOM 0 HG1 THR A 76 21.148 25.912 -3.269 1.00 53.43 H new ATOM 0 HG21 THR A 76 19.696 24.535 -4.577 1.00 33.42 H new ATOM 0 HG22 THR A 76 18.187 23.991 -3.805 1.00 33.42 H new ATOM 0 HG23 THR A 76 18.384 25.698 -4.270 1.00 33.42 H new ATOM 1086 N ALA A 77 16.722 23.896 -0.823 1.00 75.24 N ATOM 1087 CA ALA A 77 16.216 22.738 -0.097 1.00 24.51 C ATOM 1088 C ALA A 77 15.482 21.781 -1.031 1.00 2.34 C ATOM 1089 O ALA A 77 15.083 22.158 -2.132 1.00 45.35 O ATOM 1090 CB ALA A 77 15.300 23.182 1.034 1.00 62.04 C ATOM 0 H ALA A 77 16.030 24.359 -1.413 1.00 75.24 H new ATOM 0 HA ALA A 77 17.068 22.207 0.328 1.00 24.51 H new ATOM 0 HB1 ALA A 77 14.930 22.306 1.567 1.00 62.04 H new ATOM 0 HB2 ALA A 77 15.855 23.819 1.723 1.00 62.04 H new ATOM 0 HB3 ALA A 77 14.458 23.739 0.623 1.00 62.04 H new ATOM 1096 N SER A 78 15.307 20.542 -0.583 1.00 24.01 N ATOM 1097 CA SER A 78 14.625 19.530 -1.381 1.00 12.21 C ATOM 1098 C SER A 78 13.871 18.550 -0.487 1.00 3.35 C ATOM 1099 O SER A 78 14.380 18.123 0.550 1.00 34.34 O ATOM 1100 CB SER A 78 15.630 18.774 -2.252 1.00 74.11 C ATOM 1101 OG SER A 78 15.429 19.058 -3.626 1.00 34.22 O ATOM 0 H SER A 78 15.628 20.215 0.328 1.00 24.01 H new ATOM 0 HA SER A 78 13.905 20.035 -2.025 1.00 12.21 H new ATOM 0 HB2 SER A 78 16.645 19.050 -1.965 1.00 74.11 H new ATOM 0 HB3 SER A 78 15.531 17.702 -2.081 1.00 74.11 H new ATOM 0 HG SER A 78 16.085 18.564 -4.161 1.00 34.22 H new ATOM 1107 N ILE A 79 12.657 18.199 -0.896 1.00 11.43 N ATOM 1108 CA ILE A 79 11.833 17.270 -0.133 1.00 63.40 C ATOM 1109 C ILE A 79 11.127 16.279 -1.053 1.00 13.45 C ATOM 1110 O ILE A 79 10.266 16.658 -1.846 1.00 42.20 O ATOM 1111 CB ILE A 79 10.780 18.012 0.710 1.00 33.11 C ATOM 1112 CG1 ILE A 79 9.819 17.014 1.359 1.00 33.22 C ATOM 1113 CG2 ILE A 79 10.017 19.006 -0.152 1.00 15.52 C ATOM 1114 CD1 ILE A 79 9.574 17.279 2.828 1.00 34.21 C ATOM 0 H ILE A 79 12.222 18.544 -1.752 1.00 11.43 H new ATOM 0 HA ILE A 79 12.503 16.728 0.535 1.00 63.40 H new ATOM 0 HB ILE A 79 11.290 18.562 1.500 1.00 33.11 H new ATOM 0 HG12 ILE A 79 8.867 17.042 0.829 1.00 33.22 H new ATOM 0 HG13 ILE A 79 10.220 16.007 1.242 1.00 33.22 H new ATOM 0 HG21 ILE A 79 9.276 19.523 0.458 1.00 15.52 H new ATOM 0 HG22 ILE A 79 10.713 19.733 -0.572 1.00 15.52 H new ATOM 0 HG23 ILE A 79 9.515 18.476 -0.961 1.00 15.52 H new ATOM 0 HD11 ILE A 79 8.884 16.533 3.222 1.00 34.21 H new ATOM 0 HD12 ILE A 79 10.518 17.222 3.370 1.00 34.21 H new ATOM 0 HD13 ILE A 79 9.144 18.273 2.952 1.00 34.21 H new ATOM 1126 N GLY A 80 11.495 15.007 -0.938 1.00 65.05 N ATOM 1127 CA GLY A 80 10.886 13.981 -1.764 1.00 51.13 C ATOM 1128 C GLY A 80 11.208 14.154 -3.235 1.00 54.15 C ATOM 1129 O GLY A 80 12.207 13.630 -3.725 1.00 42.23 O ATOM 0 H GLY A 80 12.204 14.669 -0.288 1.00 65.05 H new ATOM 0 HA2 GLY A 80 11.230 13.001 -1.433 1.00 51.13 H new ATOM 0 HA3 GLY A 80 9.805 14.003 -1.627 1.00 51.13 H new ATOM 1133 N GLY A 81 10.356 14.891 -3.943 1.00 64.44 N ATOM 1134 CA GLY A 81 10.572 15.116 -5.361 1.00 13.33 C ATOM 1135 C GLY A 81 10.869 16.568 -5.678 1.00 3.41 C ATOM 1136 O GLY A 81 12.019 16.933 -5.928 1.00 14.05 O ATOM 0 H GLY A 81 9.521 15.335 -3.560 1.00 64.44 H new ATOM 0 HA2 GLY A 81 11.401 14.496 -5.702 1.00 13.33 H new ATOM 0 HA3 GLY A 81 9.688 14.800 -5.915 1.00 13.33 H new ATOM 1140 N ILE A 82 9.832 17.399 -5.670 1.00 31.41 N ATOM 1141 CA ILE A 82 9.988 18.819 -5.960 1.00 23.44 C ATOM 1142 C ILE A 82 10.932 19.482 -4.962 1.00 51.44 C ATOM 1143 O ILE A 82 10.999 19.086 -3.799 1.00 44.03 O ATOM 1144 CB ILE A 82 8.634 19.551 -5.933 1.00 52.03 C ATOM 1145 CG1 ILE A 82 7.640 18.865 -6.873 1.00 42.44 C ATOM 1146 CG2 ILE A 82 8.814 21.012 -6.318 1.00 70.23 C ATOM 1147 CD1 ILE A 82 8.044 18.928 -8.330 1.00 25.13 C ATOM 0 H ILE A 82 8.874 17.113 -5.466 1.00 31.41 H new ATOM 0 HA ILE A 82 10.411 18.893 -6.962 1.00 23.44 H new ATOM 0 HB ILE A 82 8.235 19.509 -4.920 1.00 52.03 H new ATOM 0 HG12 ILE A 82 7.535 17.821 -6.578 1.00 42.44 H new ATOM 0 HG13 ILE A 82 6.661 19.330 -6.755 1.00 42.44 H new ATOM 0 HG21 ILE A 82 7.848 21.516 -6.294 1.00 70.23 H new ATOM 0 HG22 ILE A 82 9.492 21.493 -5.613 1.00 70.23 H new ATOM 0 HG23 ILE A 82 9.231 21.075 -7.323 1.00 70.23 H new ATOM 0 HD11 ILE A 82 7.294 18.422 -8.938 1.00 25.13 H new ATOM 0 HD12 ILE A 82 8.121 19.970 -8.641 1.00 25.13 H new ATOM 0 HD13 ILE A 82 9.008 18.438 -8.462 1.00 25.13 H new ATOM 1159 N GLN A 83 11.657 20.495 -5.426 1.00 51.22 N ATOM 1160 CA GLN A 83 12.596 21.215 -4.574 1.00 31.00 C ATOM 1161 C GLN A 83 12.211 22.686 -4.461 1.00 51.41 C ATOM 1162 O GLN A 83 11.446 23.202 -5.274 1.00 54.34 O ATOM 1163 CB GLN A 83 14.017 21.088 -5.125 1.00 4.33 C ATOM 1164 CG GLN A 83 14.243 21.865 -6.412 1.00 14.11 C ATOM 1165 CD GLN A 83 15.517 21.458 -7.124 1.00 25.21 C ATOM 1166 OE1 GLN A 83 15.480 20.926 -8.234 1.00 15.21 O ATOM 1167 NE2 GLN A 83 16.656 21.706 -6.488 1.00 23.34 N ATOM 0 H GLN A 83 11.612 20.835 -6.386 1.00 51.22 H new ATOM 0 HA GLN A 83 12.559 20.772 -3.579 1.00 31.00 H new ATOM 0 HB2 GLN A 83 14.723 21.437 -4.371 1.00 4.33 H new ATOM 0 HB3 GLN A 83 14.236 20.035 -5.303 1.00 4.33 H new ATOM 0 HG2 GLN A 83 13.394 21.711 -7.078 1.00 14.11 H new ATOM 0 HG3 GLN A 83 14.282 22.931 -6.186 1.00 14.11 H new ATOM 0 HE21 GLN A 83 16.641 22.149 -5.569 1.00 23.34 H new ATOM 0 HE22 GLN A 83 17.546 21.454 -6.918 1.00 23.34 H new ATOM 1176 N GLY A 84 12.747 23.357 -3.446 1.00 10.31 N ATOM 1177 CA GLY A 84 12.447 24.763 -3.245 1.00 22.11 C ATOM 1178 C GLY A 84 13.681 25.638 -3.337 1.00 65.13 C ATOM 1179 O GLY A 84 14.804 25.158 -3.182 1.00 62.44 O ATOM 0 H GLY A 84 13.384 22.952 -2.759 1.00 10.31 H new ATOM 0 HA2 GLY A 84 11.720 25.086 -3.990 1.00 22.11 H new ATOM 0 HA3 GLY A 84 11.983 24.896 -2.268 1.00 22.11 H new ATOM 1183 N SER A 85 13.474 26.926 -3.592 1.00 62.10 N ATOM 1184 CA SER A 85 14.580 27.869 -3.711 1.00 12.24 C ATOM 1185 C SER A 85 14.187 29.238 -3.163 1.00 40.23 C ATOM 1186 O SER A 85 13.096 29.740 -3.437 1.00 2.23 O ATOM 1187 CB SER A 85 15.014 27.997 -5.172 1.00 5.12 C ATOM 1188 OG SER A 85 13.895 27.975 -6.041 1.00 22.33 O ATOM 0 H SER A 85 12.551 27.340 -3.720 1.00 62.10 H new ATOM 0 HA SER A 85 15.415 27.488 -3.124 1.00 12.24 H new ATOM 0 HB2 SER A 85 15.567 28.926 -5.310 1.00 5.12 H new ATOM 0 HB3 SER A 85 15.692 27.182 -5.426 1.00 5.12 H new ATOM 0 HG SER A 85 14.199 28.060 -6.969 1.00 22.33 H new ATOM 1194 N THR A 86 15.085 29.838 -2.388 1.00 14.33 N ATOM 1195 CA THR A 86 14.833 31.148 -1.800 1.00 42.12 C ATOM 1196 C THR A 86 16.115 31.969 -1.717 1.00 61.23 C ATOM 1197 O THR A 86 17.201 31.423 -1.521 1.00 1.22 O ATOM 1198 CB THR A 86 14.224 31.024 -0.391 1.00 5.14 C ATOM 1199 OG1 THR A 86 13.245 29.980 -0.370 1.00 54.22 O ATOM 1200 CG2 THR A 86 13.585 32.335 0.040 1.00 53.52 C ATOM 0 H THR A 86 15.993 29.438 -2.153 1.00 14.33 H new ATOM 0 HA THR A 86 14.121 31.655 -2.452 1.00 42.12 H new ATOM 0 HB THR A 86 15.026 30.783 0.307 1.00 5.14 H new ATOM 0 HG1 THR A 86 12.967 29.811 0.554 1.00 54.22 H new ATOM 0 HG21 THR A 86 13.162 32.223 1.038 1.00 53.52 H new ATOM 0 HG22 THR A 86 14.340 33.121 0.052 1.00 53.52 H new ATOM 0 HG23 THR A 86 12.794 32.602 -0.661 1.00 53.52 H new ATOM 1208 N ASP A 87 15.982 33.282 -1.868 1.00 30.05 N ATOM 1209 CA ASP A 87 17.130 34.179 -1.808 1.00 24.32 C ATOM 1210 C ASP A 87 16.947 35.224 -0.712 1.00 22.01 C ATOM 1211 O ASP A 87 15.954 35.951 -0.693 1.00 34.35 O ATOM 1212 CB ASP A 87 17.337 34.868 -3.158 1.00 22.35 C ATOM 1213 CG ASP A 87 18.433 35.914 -3.111 1.00 43.15 C ATOM 1214 OD1 ASP A 87 19.611 35.548 -3.306 1.00 60.11 O ATOM 1215 OD2 ASP A 87 18.113 37.099 -2.880 1.00 5.10 O ATOM 0 H ASP A 87 15.090 33.749 -2.033 1.00 30.05 H new ATOM 0 HA ASP A 87 18.013 33.584 -1.573 1.00 24.32 H new ATOM 0 HB2 ASP A 87 17.585 34.120 -3.911 1.00 22.35 H new ATOM 0 HB3 ASP A 87 16.404 35.337 -3.470 1.00 22.35 H new ATOM 1220 N PHE A 88 17.912 35.293 0.200 1.00 54.32 N ATOM 1221 CA PHE A 88 17.856 36.248 1.301 1.00 51.14 C ATOM 1222 C PHE A 88 19.153 37.047 1.394 1.00 73.21 C ATOM 1223 O PHE A 88 20.247 36.485 1.343 1.00 31.24 O ATOM 1224 CB PHE A 88 17.595 35.521 2.621 1.00 2.25 C ATOM 1225 CG PHE A 88 18.750 34.677 3.079 1.00 71.30 C ATOM 1226 CD1 PHE A 88 19.125 33.549 2.367 1.00 30.42 C ATOM 1227 CD2 PHE A 88 19.461 35.011 4.220 1.00 14.13 C ATOM 1228 CE1 PHE A 88 20.187 32.769 2.787 1.00 54.34 C ATOM 1229 CE2 PHE A 88 20.524 34.236 4.644 1.00 35.24 C ATOM 1230 CZ PHE A 88 20.888 33.114 3.926 1.00 55.02 C ATOM 0 H PHE A 88 18.741 34.699 0.198 1.00 54.32 H new ATOM 0 HA PHE A 88 17.037 36.941 1.108 1.00 51.14 H new ATOM 0 HB2 PHE A 88 17.364 36.256 3.392 1.00 2.25 H new ATOM 0 HB3 PHE A 88 16.714 34.888 2.510 1.00 2.25 H new ATOM 0 HD1 PHE A 88 18.582 33.276 1.474 1.00 30.42 H new ATOM 0 HD2 PHE A 88 19.181 35.888 4.785 1.00 14.13 H new ATOM 0 HE1 PHE A 88 20.468 31.891 2.225 1.00 54.34 H new ATOM 0 HE2 PHE A 88 21.069 34.508 5.536 1.00 35.24 H new ATOM 0 HZ PHE A 88 21.719 32.508 4.254 1.00 55.02 H new ATOM 1240 N LYS A 89 19.022 38.362 1.530 1.00 52.12 N ATOM 1241 CA LYS A 89 20.181 39.240 1.631 1.00 2.40 C ATOM 1242 C LYS A 89 20.292 39.837 3.031 1.00 73.53 C ATOM 1243 O LYS A 89 19.444 40.625 3.449 1.00 34.44 O ATOM 1244 CB LYS A 89 20.090 40.362 0.593 1.00 34.45 C ATOM 1245 CG LYS A 89 21.237 41.354 0.667 1.00 65.41 C ATOM 1246 CD LYS A 89 21.761 41.704 -0.716 1.00 25.52 C ATOM 1247 CE LYS A 89 21.768 43.207 -0.945 1.00 53.13 C ATOM 1248 NZ LYS A 89 21.801 43.547 -2.395 1.00 31.31 N ATOM 0 H LYS A 89 18.124 38.843 1.573 1.00 52.12 H new ATOM 0 HA LYS A 89 21.073 38.645 1.437 1.00 2.40 H new ATOM 0 HB2 LYS A 89 20.065 39.922 -0.404 1.00 34.45 H new ATOM 0 HB3 LYS A 89 19.150 40.896 0.729 1.00 34.45 H new ATOM 0 HG2 LYS A 89 20.903 42.261 1.171 1.00 65.41 H new ATOM 0 HG3 LYS A 89 22.044 40.934 1.268 1.00 65.41 H new ATOM 0 HD2 LYS A 89 22.771 41.312 -0.833 1.00 25.52 H new ATOM 0 HD3 LYS A 89 21.142 41.222 -1.473 1.00 25.52 H new ATOM 0 HE2 LYS A 89 20.882 43.648 -0.489 1.00 53.13 H new ATOM 0 HE3 LYS A 89 22.634 43.646 -0.449 1.00 53.13 H new ATOM 0 HZ1 LYS A 89 21.805 44.581 -2.509 1.00 31.31 H new ATOM 0 HZ2 LYS A 89 22.659 43.148 -2.826 1.00 31.31 H new ATOM 0 HZ3 LYS A 89 20.962 43.150 -2.864 1.00 31.31 H new ATOM 1262 N VAL A 90 21.343 39.456 3.750 1.00 40.22 N ATOM 1263 CA VAL A 90 21.566 39.955 5.102 1.00 53.35 C ATOM 1264 C VAL A 90 22.452 41.195 5.090 1.00 4.43 C ATOM 1265 O VAL A 90 23.552 41.182 4.535 1.00 13.04 O ATOM 1266 CB VAL A 90 22.214 38.882 5.996 1.00 12.34 C ATOM 1267 CG1 VAL A 90 22.068 39.252 7.465 1.00 44.24 C ATOM 1268 CG2 VAL A 90 21.602 37.517 5.719 1.00 44.32 C ATOM 0 H VAL A 90 22.054 38.803 3.419 1.00 40.22 H new ATOM 0 HA VAL A 90 20.589 40.214 5.510 1.00 53.35 H new ATOM 0 HB VAL A 90 23.277 38.832 5.762 1.00 12.34 H new ATOM 0 HG11 VAL A 90 22.532 38.482 8.082 1.00 44.24 H new ATOM 0 HG12 VAL A 90 22.557 40.208 7.650 1.00 44.24 H new ATOM 0 HG13 VAL A 90 21.010 39.331 7.717 1.00 44.24 H new ATOM 0 HG21 VAL A 90 22.072 36.771 6.360 1.00 44.32 H new ATOM 0 HG22 VAL A 90 20.532 37.550 5.924 1.00 44.32 H new ATOM 0 HG23 VAL A 90 21.763 37.251 4.674 1.00 44.32 H new ATOM 1278 N THR A 91 21.968 42.268 5.708 1.00 53.52 N ATOM 1279 CA THR A 91 22.715 43.518 5.769 1.00 44.02 C ATOM 1280 C THR A 91 23.288 43.748 7.162 1.00 3.45 C ATOM 1281 O THR A 91 23.003 42.995 8.092 1.00 22.54 O ATOM 1282 CB THR A 91 21.833 44.720 5.384 1.00 54.22 C ATOM 1283 OG1 THR A 91 20.728 44.281 4.585 1.00 43.31 O ATOM 1284 CG2 THR A 91 22.638 45.759 4.618 1.00 14.42 C ATOM 0 H THR A 91 21.061 42.296 6.174 1.00 53.52 H new ATOM 0 HA THR A 91 23.532 43.433 5.052 1.00 44.02 H new ATOM 0 HB THR A 91 21.459 45.177 6.301 1.00 54.22 H new ATOM 0 HG1 THR A 91 20.171 45.051 4.346 1.00 43.31 H new ATOM 0 HG21 THR A 91 21.994 46.598 4.357 1.00 14.42 H new ATOM 0 HG22 THR A 91 23.461 46.113 5.240 1.00 14.42 H new ATOM 0 HG23 THR A 91 23.037 45.311 3.708 1.00 14.42 H new ATOM 1292 N GLN A 92 24.097 44.795 7.299 1.00 34.44 N ATOM 1293 CA GLN A 92 24.709 45.123 8.581 1.00 3.31 C ATOM 1294 C GLN A 92 23.863 46.136 9.345 1.00 32.14 C ATOM 1295 O GLN A 92 22.637 46.153 9.226 1.00 62.52 O ATOM 1296 CB GLN A 92 26.120 45.676 8.369 1.00 14.31 C ATOM 1297 CG GLN A 92 26.147 47.014 7.647 1.00 35.04 C ATOM 1298 CD GLN A 92 27.271 47.108 6.635 1.00 10.30 C ATOM 1299 OE1 GLN A 92 28.447 47.009 6.985 1.00 22.24 O ATOM 1300 NE2 GLN A 92 26.915 47.301 5.370 1.00 13.24 N ATOM 0 H GLN A 92 24.343 45.429 6.539 1.00 34.44 H new ATOM 0 HA GLN A 92 24.769 44.209 9.171 1.00 3.31 H new ATOM 0 HB2 GLN A 92 26.608 45.785 9.338 1.00 14.31 H new ATOM 0 HB3 GLN A 92 26.703 44.953 7.798 1.00 14.31 H new ATOM 0 HG2 GLN A 92 25.194 47.169 7.141 1.00 35.04 H new ATOM 0 HG3 GLN A 92 26.254 47.815 8.378 1.00 35.04 H new ATOM 0 HE21 GLN A 92 25.928 47.377 5.124 1.00 13.24 H new ATOM 0 HE22 GLN A 92 27.629 47.373 4.645 1.00 13.24 H new TER 1309 GLN A 92