USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 316 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 42 GLN : amide:sc= -0.966 K(o=-1.3,f=-4.7!) USER MOD Set 1.2: A 53 THR OG1 : rot -97:sc= -0.339 USER MOD Set 2.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 ASP N :NH3+ 143:sc= 0.0704 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 ASN : amide:sc= -1.37 K(o=-1.4,f=-2.3) USER MOD Single : A 8 ASN : amide:sc= 0.766 K(o=0.77,f=-0.094) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0792 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.264 K(o=-0.26,f=-2.9) USER MOD Single : A 16 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.22) USER MOD Single : A 17 HIS : no HD1:sc= -0.231 K(o=-0.23,f=-1.4) USER MOD Single : A 18 LYS NZ :NH3+ -134:sc= -1.67! (180deg=-4.08!) USER MOD Single : A 19 ASN : amide:sc= -0.0134 X(o=-0.013,f=-0.044) USER MOD Single : A 24 ASN : amide:sc= -0.985 K(o=-0.99,f=-6.3!) USER MOD Single : A 28 THR OG1 : rot 21:sc= 1.08 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -24:sc= 1.18 USER MOD Single : A 36 SER OG : rot 40:sc= 1.51 USER MOD Single : A 37 MET CE :methyl -171:sc= -0.239 (180deg=-0.39) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= 1.01 K(o=1,f=-0.85) USER MOD Single : A 48 SER OG : rot 66:sc= 0.42 USER MOD Single : A 52 SER OG : rot 69:sc= 0.746 USER MOD Single : A 54 THR OG1 : rot 93:sc= 1.01 USER MOD Single : A 58 GLN : amide:sc= 0.642 K(o=0.64,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.193 1.426 -10.871 1.00 0.00 N ATOM 2 CA ASP A 1 -7.623 0.099 -11.032 1.00 0.00 C ATOM 3 C ASP A 1 -8.331 -0.873 -10.085 1.00 0.00 C ATOM 4 O ASP A 1 -8.805 -0.475 -9.023 1.00 0.00 O ATOM 5 CB ASP A 1 -6.132 0.094 -10.687 1.00 0.00 C ATOM 6 CG ASP A 1 -5.377 -1.171 -11.100 1.00 0.00 C ATOM 7 OD1 ASP A 1 -5.919 -2.037 -11.803 1.00 0.00 O ATOM 8 OD2 ASP A 1 -4.166 -1.249 -10.664 1.00 0.00 O ATOM 0 H1 ASP A 1 -7.441 2.139 -10.956 1.00 0.00 H new ATOM 0 H2 ASP A 1 -8.909 1.588 -11.608 1.00 0.00 H new ATOM 0 H3 ASP A 1 -8.637 1.502 -9.934 1.00 0.00 H new ATOM 0 HA ASP A 1 -7.753 -0.200 -12.072 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -5.661 0.953 -11.165 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -6.023 0.229 -9.611 1.00 0.00 H new ATOM 13 N GLN A 2 -8.379 -2.128 -10.506 1.00 0.00 N ATOM 14 CA GLN A 2 -9.050 -3.154 -9.724 1.00 0.00 C ATOM 15 C GLN A 2 -8.601 -4.545 -10.178 1.00 0.00 C ATOM 16 O GLN A 2 -8.497 -4.808 -11.375 1.00 0.00 O ATOM 17 CB GLN A 2 -10.569 -3.010 -9.819 1.00 0.00 C ATOM 18 CG GLN A 2 -11.273 -3.971 -8.858 1.00 0.00 C ATOM 19 CD GLN A 2 -12.780 -3.709 -8.826 1.00 0.00 C ATOM 20 OE1 GLN A 2 -13.310 -3.100 -7.911 1.00 0.00 O ATOM 21 NE2 GLN A 2 -13.437 -4.201 -9.872 1.00 0.00 N ATOM 0 H GLN A 2 -7.965 -2.458 -11.378 1.00 0.00 H new ATOM 0 HA GLN A 2 -8.771 -3.027 -8.678 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -10.856 -1.984 -9.588 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -10.893 -3.209 -10.840 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -11.086 -5.000 -9.165 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.859 -3.857 -7.856 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.931 -4.701 -10.603 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -14.447 -4.079 -9.943 1.00 0.00 H new ATOM 28 N ASN A 3 -8.347 -5.398 -9.197 1.00 0.00 N ATOM 29 CA ASN A 3 -7.873 -6.743 -9.479 1.00 0.00 C ATOM 30 C ASN A 3 -7.997 -7.598 -8.217 1.00 0.00 C ATOM 31 O ASN A 3 -8.435 -8.746 -8.281 1.00 0.00 O ATOM 32 CB ASN A 3 -6.403 -6.731 -9.900 1.00 0.00 C ATOM 33 CG ASN A 3 -5.638 -5.612 -9.191 1.00 0.00 C ATOM 34 OD1 ASN A 3 -5.645 -4.464 -9.603 1.00 0.00 O ATOM 35 ND2 ASN A 3 -4.980 -6.008 -8.106 1.00 0.00 N ATOM 0 H ASN A 3 -8.460 -5.185 -8.206 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.477 -7.151 -10.290 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -5.946 -7.693 -9.667 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -6.331 -6.598 -10.979 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -4.439 -5.335 -7.564 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.016 -6.985 -7.816 1.00 0.00 H new ATOM 40 N CYS A 4 -7.606 -7.006 -7.098 1.00 0.00 N ATOM 41 CA CYS A 4 -8.129 -7.421 -5.808 1.00 0.00 C ATOM 42 C CYS A 4 -8.843 -6.228 -5.172 1.00 0.00 C ATOM 43 O CYS A 4 -9.951 -6.365 -4.657 1.00 0.00 O ATOM 44 CB CYS A 4 -7.026 -7.976 -4.903 1.00 0.00 C ATOM 45 SG CYS A 4 -6.243 -6.742 -3.803 1.00 0.00 S ATOM 0 H CYS A 4 -6.932 -6.241 -7.058 1.00 0.00 H new ATOM 0 HA CYS A 4 -8.840 -8.236 -5.946 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -7.445 -8.774 -4.290 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -6.255 -8.426 -5.528 1.00 0.00 H new ATOM 49 N ASP A 5 -8.178 -5.082 -5.228 1.00 0.00 N ATOM 50 CA ASP A 5 -8.776 -3.847 -4.753 1.00 0.00 C ATOM 51 C ASP A 5 -7.841 -2.678 -5.071 1.00 0.00 C ATOM 52 O ASP A 5 -8.271 -1.667 -5.626 1.00 0.00 O ATOM 53 CB ASP A 5 -8.988 -3.884 -3.238 1.00 0.00 C ATOM 54 CG ASP A 5 -10.193 -3.087 -2.734 1.00 0.00 C ATOM 55 OD1 ASP A 5 -10.835 -3.461 -1.741 1.00 0.00 O ATOM 56 OD2 ASP A 5 -10.468 -2.027 -3.415 1.00 0.00 O ATOM 0 H ASP A 5 -7.231 -4.984 -5.595 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.739 -3.726 -5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.103 -4.923 -2.928 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -8.090 -3.503 -2.751 1.00 0.00 H new ATOM 61 N ILE A 6 -6.579 -2.854 -4.704 1.00 0.00 N ATOM 62 CA ILE A 6 -5.580 -1.826 -4.943 1.00 0.00 C ATOM 63 C ILE A 6 -6.210 -0.449 -4.722 1.00 0.00 C ATOM 64 O ILE A 6 -6.044 0.452 -5.543 1.00 0.00 O ATOM 65 CB ILE A 6 -4.952 -2.000 -6.326 1.00 0.00 C ATOM 66 CG1 ILE A 6 -3.867 -0.950 -6.572 1.00 0.00 C ATOM 67 CG2 ILE A 6 -6.021 -1.986 -7.421 1.00 0.00 C ATOM 68 CD1 ILE A 6 -2.716 -1.533 -7.397 1.00 0.00 C ATOM 0 H ILE A 6 -6.226 -3.693 -4.243 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.759 -1.920 -4.232 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.469 -2.977 -6.360 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.296 -0.094 -7.093 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.487 -0.584 -5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.547 -2.112 -8.394 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.725 -2.801 -7.253 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.554 -1.035 -7.397 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.958 -0.766 -7.558 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.274 -2.373 -6.862 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.095 -1.875 -8.360 1.00 0.00 H new ATOM 78 N GLY A 7 -6.918 -0.329 -3.610 1.00 0.00 N ATOM 79 CA GLY A 7 -7.378 0.971 -3.152 1.00 0.00 C ATOM 80 C GLY A 7 -8.173 0.845 -1.851 1.00 0.00 C ATOM 81 O GLY A 7 -9.156 1.555 -1.648 1.00 0.00 O ATOM 0 H GLY A 7 -7.185 -1.111 -3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.523 1.629 -2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.000 1.431 -3.919 1.00 0.00 H new ATOM 85 N ASN A 8 -7.719 -0.067 -1.002 1.00 0.00 N ATOM 86 CA ASN A 8 -8.479 -0.433 0.180 1.00 0.00 C ATOM 87 C ASN A 8 -7.886 0.274 1.401 1.00 0.00 C ATOM 88 O ASN A 8 -8.589 0.996 2.106 1.00 0.00 O ATOM 89 CB ASN A 8 -8.415 -1.941 0.430 1.00 0.00 C ATOM 90 CG ASN A 8 -9.400 -2.357 1.525 1.00 0.00 C ATOM 91 OD1 ASN A 8 -9.114 -2.299 2.709 1.00 0.00 O ATOM 92 ND2 ASN A 8 -10.574 -2.780 1.063 1.00 0.00 N ATOM 0 H ASN A 8 -6.834 -0.563 -1.110 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.516 -0.137 0.020 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.643 -2.476 -0.492 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.403 -2.223 0.720 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -11.300 -3.081 1.714 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -10.748 -2.803 0.058 1.00 0.00 H new ATOM 97 N ILE A 9 -6.599 0.041 1.614 1.00 0.00 N ATOM 98 CA ILE A 9 -5.934 0.539 2.806 1.00 0.00 C ATOM 99 C ILE A 9 -5.242 1.864 2.481 1.00 0.00 C ATOM 100 O ILE A 9 -5.115 2.730 3.346 1.00 0.00 O ATOM 101 CB ILE A 9 -4.994 -0.523 3.378 1.00 0.00 C ATOM 102 CG1 ILE A 9 -4.500 -0.125 4.770 1.00 0.00 C ATOM 103 CG2 ILE A 9 -3.836 -0.805 2.418 1.00 0.00 C ATOM 104 CD1 ILE A 9 -5.663 -0.045 5.762 1.00 0.00 C ATOM 0 H ILE A 9 -5.999 -0.487 0.980 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.661 0.743 3.592 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.554 -1.451 3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.767 -0.851 5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.994 0.839 4.719 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.183 -1.564 2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.231 -1.163 1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.269 0.111 2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.285 0.240 6.744 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.382 0.699 5.420 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.151 -1.017 5.829 1.00 0.00 H new ATOM 114 N THR A 10 -4.812 1.981 1.234 1.00 0.00 N ATOM 115 CA THR A 10 -4.036 3.135 0.815 1.00 0.00 C ATOM 116 C THR A 10 -4.929 4.374 0.725 1.00 0.00 C ATOM 117 O THR A 10 -4.485 5.486 1.007 1.00 0.00 O ATOM 118 CB THR A 10 -3.345 2.787 -0.505 1.00 0.00 C ATOM 119 OG1 THR A 10 -4.373 2.186 -1.288 1.00 0.00 O ATOM 120 CG2 THR A 10 -2.302 1.679 -0.346 1.00 0.00 C ATOM 0 H THR A 10 -4.986 1.295 0.500 1.00 0.00 H new ATOM 0 HA THR A 10 -3.266 3.380 1.547 1.00 0.00 H new ATOM 0 HB THR A 10 -2.868 3.679 -0.910 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.011 1.931 -2.162 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.842 1.471 -1.312 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.535 1.999 0.359 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.785 0.776 0.028 1.00 0.00 H new ATOM 128 N SER A 11 -6.172 4.141 0.329 1.00 0.00 N ATOM 129 CA SER A 11 -7.078 5.234 0.024 1.00 0.00 C ATOM 130 C SER A 11 -7.133 6.213 1.198 1.00 0.00 C ATOM 131 O SER A 11 -7.139 7.427 1.000 1.00 0.00 O ATOM 132 CB SER A 11 -8.481 4.714 -0.299 1.00 0.00 C ATOM 133 OG SER A 11 -9.405 5.775 -0.524 1.00 0.00 O ATOM 0 H SER A 11 -6.573 3.210 0.212 1.00 0.00 H new ATOM 0 HA SER A 11 -6.701 5.754 -0.857 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.437 4.078 -1.183 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.836 4.093 0.523 1.00 0.00 H new ATOM 0 HG SER A 11 -10.288 5.402 -0.728 1.00 0.00 H new ATOM 138 N GLN A 12 -7.171 5.648 2.396 1.00 0.00 N ATOM 139 CA GLN A 12 -7.318 6.451 3.599 1.00 0.00 C ATOM 140 C GLN A 12 -6.069 7.306 3.820 1.00 0.00 C ATOM 141 O GLN A 12 -6.168 8.516 4.017 1.00 0.00 O ATOM 142 CB GLN A 12 -7.602 5.569 4.816 1.00 0.00 C ATOM 143 CG GLN A 12 -7.983 6.418 6.031 1.00 0.00 C ATOM 144 CD GLN A 12 -8.520 5.542 7.165 1.00 0.00 C ATOM 145 OE1 GLN A 12 -7.817 5.192 8.099 1.00 0.00 O ATOM 146 NE2 GLN A 12 -9.800 5.208 7.032 1.00 0.00 N ATOM 0 H GLN A 12 -7.103 4.644 2.560 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.172 7.116 3.468 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.410 4.874 4.586 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.722 4.969 5.048 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.112 6.975 6.378 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.737 7.151 5.745 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.331 5.535 6.225 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.251 4.625 7.737 1.00 0.00 H new ATOM 153 N CYS A 13 -4.922 6.644 3.780 1.00 0.00 N ATOM 154 CA CYS A 13 -3.675 7.282 4.168 1.00 0.00 C ATOM 155 C CYS A 13 -3.320 8.326 3.108 1.00 0.00 C ATOM 156 O CYS A 13 -2.799 9.392 3.432 1.00 0.00 O ATOM 157 CB CYS A 13 -2.553 6.261 4.361 1.00 0.00 C ATOM 158 SG CYS A 13 -2.772 5.140 5.792 1.00 0.00 S ATOM 0 H CYS A 13 -4.830 5.672 3.485 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.800 7.773 5.133 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -2.469 5.660 3.456 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.610 6.796 4.477 1.00 0.00 H new ATOM 162 N GLN A 14 -3.618 7.985 1.863 1.00 0.00 N ATOM 163 CA GLN A 14 -3.265 8.844 0.746 1.00 0.00 C ATOM 164 C GLN A 14 -3.915 10.219 0.909 1.00 0.00 C ATOM 165 O GLN A 14 -3.292 11.242 0.627 1.00 0.00 O ATOM 166 CB GLN A 14 -3.662 8.204 -0.586 1.00 0.00 C ATOM 167 CG GLN A 14 -2.670 7.110 -0.985 1.00 0.00 C ATOM 168 CD GLN A 14 -3.261 6.203 -2.068 1.00 0.00 C ATOM 169 OE1 GLN A 14 -4.383 5.734 -1.977 1.00 0.00 O ATOM 170 NE2 GLN A 14 -2.445 5.985 -3.095 1.00 0.00 N ATOM 0 H GLN A 14 -4.100 7.125 1.603 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.183 8.973 0.740 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.663 7.781 -0.506 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.700 8.967 -1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.749 7.565 -1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.408 6.515 -0.110 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.517 6.409 -3.108 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.747 5.394 -3.870 1.00 0.00 H new ATOM 177 N MET A 15 -5.160 10.200 1.363 1.00 0.00 N ATOM 178 CA MET A 15 -5.891 11.434 1.594 1.00 0.00 C ATOM 179 C MET A 15 -5.508 12.055 2.939 1.00 0.00 C ATOM 180 O MET A 15 -5.324 13.267 3.036 1.00 0.00 O ATOM 181 CB MET A 15 -7.395 11.149 1.573 1.00 0.00 C ATOM 182 CG MET A 15 -7.835 10.629 0.202 1.00 0.00 C ATOM 183 SD MET A 15 -9.556 10.160 0.252 1.00 0.00 S ATOM 184 CE MET A 15 -9.716 9.401 -1.356 1.00 0.00 C ATOM 0 H MET A 15 -5.681 9.349 1.577 1.00 0.00 H new ATOM 0 HA MET A 15 -5.635 12.139 0.803 1.00 0.00 H new ATOM 0 HB2 MET A 15 -7.641 10.415 2.340 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.945 12.059 1.815 1.00 0.00 H new ATOM 0 HG2 MET A 15 -7.681 11.398 -0.555 1.00 0.00 H new ATOM 0 HG3 MET A 15 -7.224 9.773 -0.085 1.00 0.00 H new ATOM 0 HE1 MET A 15 -10.739 9.049 -1.492 1.00 0.00 H new ATOM 0 HE2 MET A 15 -9.478 10.132 -2.129 1.00 0.00 H new ATOM 0 HE3 MET A 15 -9.029 8.558 -1.430 1.00 0.00 H new ATOM 192 N GLN A 16 -5.399 11.195 3.942 1.00 0.00 N ATOM 193 CA GLN A 16 -5.320 11.657 5.317 1.00 0.00 C ATOM 194 C GLN A 16 -4.018 12.428 5.543 1.00 0.00 C ATOM 195 O GLN A 16 -4.034 13.541 6.065 1.00 0.00 O ATOM 196 CB GLN A 16 -5.442 10.487 6.295 1.00 0.00 C ATOM 197 CG GLN A 16 -5.487 10.984 7.741 1.00 0.00 C ATOM 198 CD GLN A 16 -6.764 11.785 8.007 1.00 0.00 C ATOM 199 OE1 GLN A 16 -6.761 13.004 8.068 1.00 0.00 O ATOM 200 NE2 GLN A 16 -7.850 11.034 8.161 1.00 0.00 N ATOM 0 H GLN A 16 -5.364 10.182 3.829 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.156 12.332 5.503 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.344 9.917 6.074 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.597 9.810 6.165 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.438 10.135 8.423 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.615 11.606 7.943 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.781 10.018 8.097 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.752 11.473 8.343 1.00 0.00 H new ATOM 207 N HIS A 17 -2.920 11.803 5.141 1.00 0.00 N ATOM 208 CA HIS A 17 -1.602 12.320 5.468 1.00 0.00 C ATOM 209 C HIS A 17 -0.614 11.942 4.363 1.00 0.00 C ATOM 210 O HIS A 17 0.209 11.045 4.542 1.00 0.00 O ATOM 211 CB HIS A 17 -1.158 11.841 6.851 1.00 0.00 C ATOM 212 CG HIS A 17 -1.581 10.429 7.177 1.00 0.00 C ATOM 213 ND1 HIS A 17 -2.090 10.065 8.411 1.00 0.00 N ATOM 214 CD2 HIS A 17 -1.567 9.296 6.417 1.00 0.00 C ATOM 215 CE1 HIS A 17 -2.366 8.769 8.385 1.00 0.00 C ATOM 216 NE2 HIS A 17 -2.040 8.294 7.148 1.00 0.00 N ATOM 0 H HIS A 17 -2.917 10.943 4.592 1.00 0.00 H new ATOM 0 HA HIS A 17 -1.637 13.408 5.519 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.072 11.908 6.916 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.565 12.515 7.605 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.228 9.226 5.394 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -2.777 8.191 9.199 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -2.143 7.328 6.836 1.00 0.00 H new ATOM 223 N LYS A 18 -0.728 12.643 3.244 1.00 0.00 N ATOM 224 CA LYS A 18 0.117 12.363 2.097 1.00 0.00 C ATOM 225 C LYS A 18 0.095 13.563 1.147 1.00 0.00 C ATOM 226 O LYS A 18 1.142 14.109 0.805 1.00 0.00 O ATOM 227 CB LYS A 18 -0.298 11.048 1.435 1.00 0.00 C ATOM 228 CG LYS A 18 0.818 10.006 1.538 1.00 0.00 C ATOM 229 CD LYS A 18 1.934 10.296 0.532 1.00 0.00 C ATOM 230 CE LYS A 18 3.072 9.283 0.668 1.00 0.00 C ATOM 231 NZ LYS A 18 3.989 9.678 1.761 1.00 0.00 N ATOM 0 H LYS A 18 -1.393 13.404 3.108 1.00 0.00 H new ATOM 0 HA LYS A 18 1.151 12.223 2.411 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.202 10.667 1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.540 11.225 0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.226 10.004 2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.410 9.012 1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.533 10.264 -0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.318 11.304 0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.663 8.293 0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.622 9.217 -0.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.973 9.593 1.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.798 10.663 2.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.841 9.055 2.581 1.00 0.00 H new ATOM 240 N ASN A 19 -1.112 13.939 0.748 1.00 0.00 N ATOM 241 CA ASN A 19 -1.292 15.111 -0.092 1.00 0.00 C ATOM 242 C ASN A 19 -0.556 14.900 -1.417 1.00 0.00 C ATOM 243 O ASN A 19 -0.189 15.863 -2.087 1.00 0.00 O ATOM 244 CB ASN A 19 -0.714 16.361 0.576 1.00 0.00 C ATOM 245 CG ASN A 19 -1.190 16.477 2.025 1.00 0.00 C ATOM 246 OD1 ASN A 19 -0.493 16.128 2.964 1.00 0.00 O ATOM 247 ND2 ASN A 19 -2.412 16.986 2.154 1.00 0.00 N ATOM 0 H ASN A 19 -1.975 13.452 0.991 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.361 15.250 -0.254 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.375 16.322 0.549 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.015 17.248 0.018 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.820 17.105 3.081 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.941 17.258 1.326 1.00 0.00 H new ATOM 252 N CYS A 20 -0.363 13.633 -1.754 1.00 0.00 N ATOM 253 CA CYS A 20 0.028 13.271 -3.106 1.00 0.00 C ATOM 254 C CYS A 20 -0.260 11.781 -3.306 1.00 0.00 C ATOM 255 O CYS A 20 0.499 10.931 -2.844 1.00 0.00 O ATOM 256 CB CYS A 20 1.493 13.610 -3.382 1.00 0.00 C ATOM 257 SG CYS A 20 2.574 13.608 -1.905 1.00 0.00 S ATOM 0 H CYS A 20 -0.470 12.845 -1.115 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.552 13.853 -3.823 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.887 12.895 -4.104 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.542 14.594 -3.849 1.00 0.00 H new ATOM 261 N GLU A 21 -1.359 11.511 -3.996 1.00 0.00 N ATOM 262 CA GLU A 21 -1.976 10.198 -3.936 1.00 0.00 C ATOM 263 C GLU A 21 -1.062 9.151 -4.577 1.00 0.00 C ATOM 264 O GLU A 21 -1.063 7.989 -4.171 1.00 0.00 O ATOM 265 CB GLU A 21 -3.352 10.207 -4.604 1.00 0.00 C ATOM 266 CG GLU A 21 -4.032 8.843 -4.479 1.00 0.00 C ATOM 267 CD GLU A 21 -3.644 7.928 -5.643 1.00 0.00 C ATOM 268 OE1 GLU A 21 -3.026 8.388 -6.613 1.00 0.00 O ATOM 269 OE2 GLU A 21 -4.008 6.697 -5.513 1.00 0.00 O ATOM 0 H GLU A 21 -1.837 12.180 -4.599 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.119 9.934 -2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.978 10.972 -4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.247 10.470 -5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.749 8.377 -3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.114 8.973 -4.459 1.00 0.00 H new ATOM 275 N ASP A 22 -0.305 9.600 -5.567 1.00 0.00 N ATOM 276 CA ASP A 22 0.460 8.687 -6.398 1.00 0.00 C ATOM 277 C ASP A 22 1.352 7.818 -5.507 1.00 0.00 C ATOM 278 O ASP A 22 2.259 8.325 -4.849 1.00 0.00 O ATOM 279 CB ASP A 22 1.362 9.449 -7.370 1.00 0.00 C ATOM 280 CG ASP A 22 0.629 10.399 -8.322 1.00 0.00 C ATOM 281 OD1 ASP A 22 0.574 11.615 -8.092 1.00 0.00 O ATOM 282 OD2 ASP A 22 0.094 9.833 -9.350 1.00 0.00 O ATOM 0 H ASP A 22 -0.205 10.585 -5.812 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.244 8.077 -6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.088 10.024 -6.795 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.924 8.727 -7.962 1.00 0.00 H new ATOM 287 N ALA A 23 1.062 6.525 -5.516 1.00 0.00 N ATOM 288 CA ALA A 23 1.793 5.590 -4.677 1.00 0.00 C ATOM 289 C ALA A 23 3.166 5.321 -5.297 1.00 0.00 C ATOM 290 O ALA A 23 3.388 4.264 -5.886 1.00 0.00 O ATOM 291 CB ALA A 23 0.971 4.312 -4.503 1.00 0.00 C ATOM 0 H ALA A 23 0.332 6.103 -6.090 1.00 0.00 H new ATOM 0 HA ALA A 23 1.957 6.010 -3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.518 3.610 -3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.018 4.554 -4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.790 3.860 -5.478 1.00 0.00 H new ATOM 297 N ASN A 24 4.051 6.294 -5.143 1.00 0.00 N ATOM 298 CA ASN A 24 5.432 6.124 -5.562 1.00 0.00 C ATOM 299 C ASN A 24 6.235 7.366 -5.173 1.00 0.00 C ATOM 300 O ASN A 24 7.212 7.271 -4.431 1.00 0.00 O ATOM 301 CB ASN A 24 5.529 5.954 -7.079 1.00 0.00 C ATOM 302 CG ASN A 24 4.403 6.706 -7.789 1.00 0.00 C ATOM 303 OD1 ASN A 24 4.414 7.920 -7.913 1.00 0.00 O ATOM 304 ND2 ASN A 24 3.433 5.921 -8.249 1.00 0.00 N ATOM 0 H ASN A 24 3.839 7.204 -4.734 1.00 0.00 H new ATOM 0 HA ASN A 24 5.826 5.233 -5.073 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.494 6.322 -7.429 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.481 4.895 -7.333 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.637 6.328 -8.739 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.485 4.912 -8.111 1.00 0.00 H new ATOM 309 N GLY A 25 5.794 8.504 -5.689 1.00 0.00 N ATOM 310 CA GLY A 25 6.623 9.696 -5.690 1.00 0.00 C ATOM 311 C GLY A 25 6.893 10.177 -4.262 1.00 0.00 C ATOM 312 O GLY A 25 7.999 10.616 -3.951 1.00 0.00 O ATOM 0 H GLY A 25 4.873 8.625 -6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.568 9.486 -6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.130 10.486 -6.257 1.00 0.00 H new ATOM 316 N CYS A 26 5.865 10.077 -3.433 1.00 0.00 N ATOM 317 CA CYS A 26 5.912 10.670 -2.108 1.00 0.00 C ATOM 318 C CYS A 26 6.191 9.559 -1.094 1.00 0.00 C ATOM 319 O CYS A 26 6.210 9.802 0.111 1.00 0.00 O ATOM 320 CB CYS A 26 4.626 11.430 -1.782 1.00 0.00 C ATOM 321 SG CYS A 26 4.414 13.005 -2.690 1.00 0.00 S ATOM 0 H CYS A 26 4.994 9.594 -3.653 1.00 0.00 H new ATOM 0 HA CYS A 26 6.713 11.408 -2.066 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.775 10.785 -1.998 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.605 11.638 -0.712 1.00 0.00 H new ATOM 325 N ASP A 27 6.400 8.360 -1.621 1.00 0.00 N ATOM 326 CA ASP A 27 6.219 7.154 -0.830 1.00 0.00 C ATOM 327 C ASP A 27 7.052 7.258 0.448 1.00 0.00 C ATOM 328 O ASP A 27 8.278 7.172 0.404 1.00 0.00 O ATOM 329 CB ASP A 27 6.685 5.917 -1.600 1.00 0.00 C ATOM 330 CG ASP A 27 6.622 4.604 -0.815 1.00 0.00 C ATOM 331 OD1 ASP A 27 5.890 4.491 0.180 1.00 0.00 O ATOM 332 OD2 ASP A 27 7.374 3.661 -1.269 1.00 0.00 O ATOM 0 H ASP A 27 6.693 8.199 -2.585 1.00 0.00 H new ATOM 0 HA ASP A 27 5.158 7.057 -0.599 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.075 5.816 -2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.712 6.078 -1.928 1.00 0.00 H new ATOM 337 N THR A 28 6.353 7.442 1.559 1.00 0.00 N ATOM 338 CA THR A 28 6.992 7.384 2.863 1.00 0.00 C ATOM 339 C THR A 28 5.989 6.933 3.927 1.00 0.00 C ATOM 340 O THR A 28 6.214 5.938 4.615 1.00 0.00 O ATOM 341 CB THR A 28 7.605 8.756 3.150 1.00 0.00 C ATOM 342 OG1 THR A 28 8.890 8.696 2.538 1.00 0.00 O ATOM 343 CG2 THR A 28 7.909 8.962 4.635 1.00 0.00 C ATOM 0 H THR A 28 5.351 7.631 1.583 1.00 0.00 H new ATOM 0 HA THR A 28 7.792 6.644 2.880 1.00 0.00 H new ATOM 0 HB THR A 28 6.926 9.536 2.807 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.896 7.989 1.859 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.342 9.951 4.784 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.987 8.880 5.210 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.615 8.202 4.971 1.00 0.00 H new ATOM 351 N ILE A 29 4.903 7.685 4.030 1.00 0.00 N ATOM 352 CA ILE A 29 3.857 7.363 4.985 1.00 0.00 C ATOM 353 C ILE A 29 3.036 6.185 4.458 1.00 0.00 C ATOM 354 O ILE A 29 2.544 5.368 5.235 1.00 0.00 O ATOM 355 CB ILE A 29 3.019 8.603 5.301 1.00 0.00 C ATOM 356 CG1 ILE A 29 3.727 9.497 6.323 1.00 0.00 C ATOM 357 CG2 ILE A 29 1.613 8.214 5.757 1.00 0.00 C ATOM 358 CD1 ILE A 29 3.531 8.965 7.744 1.00 0.00 C ATOM 0 H ILE A 29 4.725 8.517 3.467 1.00 0.00 H new ATOM 0 HA ILE A 29 4.292 7.050 5.934 1.00 0.00 H new ATOM 0 HB ILE A 29 2.910 9.184 4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.791 9.547 6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.338 10.513 6.254 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.039 9.115 5.975 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.117 7.650 4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.679 7.599 6.655 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.044 9.618 8.451 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.467 8.940 7.979 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.943 7.958 7.816 1.00 0.00 H new ATOM 368 N ILE A 30 2.914 6.133 3.140 1.00 0.00 N ATOM 369 CA ILE A 30 2.106 5.106 2.502 1.00 0.00 C ATOM 370 C ILE A 30 2.885 3.789 2.484 1.00 0.00 C ATOM 371 O ILE A 30 2.342 2.748 2.120 1.00 0.00 O ATOM 372 CB ILE A 30 1.647 5.568 1.118 1.00 0.00 C ATOM 373 CG1 ILE A 30 0.434 4.763 0.645 1.00 0.00 C ATOM 374 CG2 ILE A 30 2.799 5.514 0.112 1.00 0.00 C ATOM 375 CD1 ILE A 30 0.106 5.075 -0.817 1.00 0.00 C ATOM 0 H ILE A 30 3.361 6.785 2.496 1.00 0.00 H new ATOM 0 HA ILE A 30 1.194 4.930 3.072 1.00 0.00 H new ATOM 0 HB ILE A 30 1.333 6.609 1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.634 3.697 0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.427 4.994 1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.446 5.847 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.606 6.165 0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.167 4.491 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.760 4.490 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.117 6.137 -0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.961 4.820 -1.444 1.00 0.00 H new ATOM 385 N GLU A 31 4.146 3.879 2.881 1.00 0.00 N ATOM 386 CA GLU A 31 5.025 2.722 2.848 1.00 0.00 C ATOM 387 C GLU A 31 4.406 1.563 3.632 1.00 0.00 C ATOM 388 O GLU A 31 4.239 0.468 3.097 1.00 0.00 O ATOM 389 CB GLU A 31 6.412 3.072 3.389 1.00 0.00 C ATOM 390 CG GLU A 31 7.358 1.873 3.290 1.00 0.00 C ATOM 391 CD GLU A 31 8.763 2.243 3.770 1.00 0.00 C ATOM 392 OE1 GLU A 31 9.145 1.895 4.898 1.00 0.00 O ATOM 393 OE2 GLU A 31 9.469 2.915 2.925 1.00 0.00 O ATOM 0 H GLU A 31 4.580 4.735 3.227 1.00 0.00 H new ATOM 0 HA GLU A 31 5.145 2.410 1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.824 3.912 2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.331 3.391 4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.970 1.049 3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.402 1.524 2.258 1.00 0.00 H new ATOM 399 N GLU A 32 4.085 1.844 4.886 1.00 0.00 N ATOM 400 CA GLU A 32 3.559 0.818 5.771 1.00 0.00 C ATOM 401 C GLU A 32 2.059 0.630 5.533 1.00 0.00 C ATOM 402 O GLU A 32 1.557 -0.493 5.568 1.00 0.00 O ATOM 403 CB GLU A 32 3.843 1.159 7.235 1.00 0.00 C ATOM 404 CG GLU A 32 3.283 0.083 8.167 1.00 0.00 C ATOM 405 CD GLU A 32 3.830 -1.298 7.800 1.00 0.00 C ATOM 406 OE1 GLU A 32 5.017 -1.575 8.028 1.00 0.00 O ATOM 407 OE2 GLU A 32 2.973 -2.099 7.262 1.00 0.00 O ATOM 0 H GLU A 32 4.179 2.767 5.310 1.00 0.00 H new ATOM 0 HA GLU A 32 4.063 -0.122 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.918 1.254 7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.400 2.124 7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.543 0.319 9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.195 0.075 8.107 1.00 0.00 H new ATOM 413 N CYS A 33 1.385 1.746 5.296 1.00 0.00 N ATOM 414 CA CYS A 33 -0.050 1.720 5.076 1.00 0.00 C ATOM 415 C CYS A 33 -0.336 0.829 3.865 1.00 0.00 C ATOM 416 O CYS A 33 -1.355 0.142 3.822 1.00 0.00 O ATOM 417 CB CYS A 33 -0.620 3.129 4.893 1.00 0.00 C ATOM 418 SG CYS A 33 -2.430 3.261 5.130 1.00 0.00 S ATOM 0 H CYS A 33 1.807 2.674 5.252 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.546 1.308 5.955 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.126 3.800 5.596 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.372 3.479 3.891 1.00 0.00 H new ATOM 422 N LYS A 34 0.584 0.868 2.912 1.00 0.00 N ATOM 423 CA LYS A 34 0.508 -0.017 1.762 1.00 0.00 C ATOM 424 C LYS A 34 0.816 -1.449 2.205 1.00 0.00 C ATOM 425 O LYS A 34 -0.074 -2.299 2.228 1.00 0.00 O ATOM 426 CB LYS A 34 1.415 0.486 0.638 1.00 0.00 C ATOM 427 CG LYS A 34 1.387 -0.468 -0.558 1.00 0.00 C ATOM 428 CD LYS A 34 2.513 -0.146 -1.543 1.00 0.00 C ATOM 429 CE LYS A 34 2.308 1.230 -2.180 1.00 0.00 C ATOM 430 NZ LYS A 34 3.238 2.219 -1.588 1.00 0.00 N ATOM 0 H LYS A 34 1.386 1.499 2.913 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.501 -0.020 1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.094 1.479 0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.436 0.583 1.006 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.486 -1.496 -0.210 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.424 -0.394 -1.064 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.472 -0.172 -1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.550 -0.909 -2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.471 1.167 -3.256 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.278 1.556 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.086 3.147 -2.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.063 2.291 -0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.219 1.914 -1.751 1.00 0.00 H new ATOM 439 N THR A 35 2.076 -1.671 2.546 1.00 0.00 N ATOM 440 CA THR A 35 2.593 -3.025 2.659 1.00 0.00 C ATOM 441 C THR A 35 1.678 -3.874 3.543 1.00 0.00 C ATOM 442 O THR A 35 1.472 -5.056 3.275 1.00 0.00 O ATOM 443 CB THR A 35 4.030 -2.939 3.175 1.00 0.00 C ATOM 444 OG1 THR A 35 4.696 -2.119 2.220 1.00 0.00 O ATOM 445 CG2 THR A 35 4.763 -4.280 3.090 1.00 0.00 C ATOM 0 H THR A 35 2.755 -0.937 2.748 1.00 0.00 H new ATOM 0 HA THR A 35 2.609 -3.525 1.691 1.00 0.00 H new ATOM 0 HB THR A 35 4.023 -2.593 4.208 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.222 -2.164 1.363 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.779 -4.164 3.468 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.235 -5.022 3.689 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.798 -4.610 2.052 1.00 0.00 H new ATOM 453 N SER A 36 1.153 -3.237 4.580 1.00 0.00 N ATOM 454 CA SER A 36 0.378 -3.949 5.581 1.00 0.00 C ATOM 455 C SER A 36 -0.569 -4.940 4.902 1.00 0.00 C ATOM 456 O SER A 36 -0.447 -6.149 5.091 1.00 0.00 O ATOM 457 CB SER A 36 -0.412 -2.976 6.460 1.00 0.00 C ATOM 458 OG SER A 36 0.423 -2.310 7.404 1.00 0.00 O ATOM 0 H SER A 36 1.249 -2.236 4.748 1.00 0.00 H new ATOM 0 HA SER A 36 1.068 -4.497 6.222 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.907 -2.237 5.829 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.195 -3.519 6.989 1.00 0.00 H new ATOM 0 HG SER A 36 1.276 -2.079 6.981 1.00 0.00 H new ATOM 463 N MET A 37 -1.492 -4.390 4.127 1.00 0.00 N ATOM 464 CA MET A 37 -2.568 -5.189 3.566 1.00 0.00 C ATOM 465 C MET A 37 -2.285 -5.540 2.103 1.00 0.00 C ATOM 466 O MET A 37 -2.833 -6.508 1.576 1.00 0.00 O ATOM 467 CB MET A 37 -3.883 -4.411 3.658 1.00 0.00 C ATOM 468 CG MET A 37 -4.903 -5.161 4.518 1.00 0.00 C ATOM 469 SD MET A 37 -6.140 -4.026 5.126 1.00 0.00 S ATOM 470 CE MET A 37 -5.348 -3.484 6.631 1.00 0.00 C ATOM 0 H MET A 37 -1.517 -3.402 3.875 1.00 0.00 H new ATOM 0 HA MET A 37 -2.642 -6.116 4.135 1.00 0.00 H new ATOM 0 HB2 MET A 37 -3.698 -3.425 4.084 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.289 -4.255 2.658 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.377 -5.948 3.932 1.00 0.00 H new ATOM 0 HG3 MET A 37 -4.400 -5.646 5.355 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.050 -2.893 7.219 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.032 -4.352 7.209 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.478 -2.875 6.385 1.00 0.00 H new ATOM 478 N VAL A 38 -1.430 -4.735 1.490 1.00 0.00 N ATOM 479 CA VAL A 38 -1.187 -4.850 0.062 1.00 0.00 C ATOM 480 C VAL A 38 -0.123 -5.921 -0.185 1.00 0.00 C ATOM 481 O VAL A 38 0.213 -6.215 -1.331 1.00 0.00 O ATOM 482 CB VAL A 38 -0.806 -3.485 -0.516 1.00 0.00 C ATOM 483 CG1 VAL A 38 -0.399 -3.606 -1.986 1.00 0.00 C ATOM 484 CG2 VAL A 38 -1.948 -2.480 -0.344 1.00 0.00 C ATOM 0 H VAL A 38 -0.897 -4.001 1.956 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.093 -5.166 -0.455 1.00 0.00 H new ATOM 0 HB VAL A 38 0.055 -3.114 0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.133 -2.622 -2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.458 -4.273 -2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.232 -4.009 -2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.652 -1.518 -0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.835 -2.844 -0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.171 -2.361 0.716 1.00 0.00 H new ATOM 494 N GLU A 39 0.377 -6.476 0.909 1.00 0.00 N ATOM 495 CA GLU A 39 1.129 -7.718 0.842 1.00 0.00 C ATOM 496 C GLU A 39 0.429 -8.713 -0.086 1.00 0.00 C ATOM 497 O GLU A 39 1.085 -9.445 -0.826 1.00 0.00 O ATOM 498 CB GLU A 39 1.328 -8.314 2.236 1.00 0.00 C ATOM 499 CG GLU A 39 2.724 -7.997 2.774 1.00 0.00 C ATOM 500 CD GLU A 39 3.807 -8.645 1.909 1.00 0.00 C ATOM 501 OE1 GLU A 39 3.845 -9.878 1.783 1.00 0.00 O ATOM 502 OE2 GLU A 39 4.628 -7.820 1.354 1.00 0.00 O ATOM 0 H GLU A 39 0.276 -6.089 1.847 1.00 0.00 H new ATOM 0 HA GLU A 39 2.115 -7.501 0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.574 -7.918 2.916 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.186 -9.394 2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.871 -6.917 2.799 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.812 -8.354 3.800 1.00 0.00 H new ATOM 508 N ARG A 40 -0.894 -8.708 -0.017 1.00 0.00 N ATOM 509 CA ARG A 40 -1.691 -9.583 -0.859 1.00 0.00 C ATOM 510 C ARG A 40 -1.695 -9.072 -2.301 1.00 0.00 C ATOM 511 O ARG A 40 -1.508 -9.846 -3.238 1.00 0.00 O ATOM 512 CB ARG A 40 -3.133 -9.671 -0.353 1.00 0.00 C ATOM 513 CG ARG A 40 -3.988 -10.534 -1.283 1.00 0.00 C ATOM 514 CD ARG A 40 -4.934 -9.667 -2.118 1.00 0.00 C ATOM 515 NE ARG A 40 -6.002 -9.111 -1.257 1.00 0.00 N ATOM 516 CZ ARG A 40 -7.131 -9.774 -0.928 1.00 0.00 C ATOM 517 NH1 ARG A 40 -7.302 -11.062 -1.295 1.00 0.00 N ATOM 518 NH2 ARG A 40 -8.067 -9.142 -0.243 1.00 0.00 N ATOM 0 H ARG A 40 -1.434 -8.111 0.610 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.244 -10.576 -0.822 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.144 -10.092 0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.560 -8.670 -0.285 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.343 -11.114 -1.943 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.566 -11.247 -0.695 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.377 -8.857 -2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.374 -10.261 -2.919 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.877 -8.168 -0.889 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.575 -11.542 -1.825 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.158 -11.555 -1.042 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.930 -8.168 0.029 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.926 -9.628 0.014 1.00 0.00 H new ATOM 528 N CYS A 41 -1.910 -7.771 -2.434 1.00 0.00 N ATOM 529 CA CYS A 41 -2.248 -7.196 -3.725 1.00 0.00 C ATOM 530 C CYS A 41 -0.964 -6.675 -4.372 1.00 0.00 C ATOM 531 O CYS A 41 -1.013 -5.958 -5.370 1.00 0.00 O ATOM 532 CB CYS A 41 -3.308 -6.100 -3.595 1.00 0.00 C ATOM 533 SG CYS A 41 -4.614 -6.139 -4.876 1.00 0.00 S ATOM 0 H CYS A 41 -1.857 -7.099 -1.669 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.688 -7.963 -4.363 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -3.778 -6.183 -2.615 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.813 -5.129 -3.630 1.00 0.00 H new ATOM 537 N GLN A 42 0.157 -7.055 -3.776 1.00 0.00 N ATOM 538 CA GLN A 42 1.452 -6.789 -4.379 1.00 0.00 C ATOM 539 C GLN A 42 1.495 -7.337 -5.807 1.00 0.00 C ATOM 540 O GLN A 42 2.313 -6.904 -6.617 1.00 0.00 O ATOM 541 CB GLN A 42 2.582 -7.378 -3.532 1.00 0.00 C ATOM 542 CG GLN A 42 2.499 -8.906 -3.493 1.00 0.00 C ATOM 543 CD GLN A 42 3.238 -9.525 -4.681 1.00 0.00 C ATOM 544 OE1 GLN A 42 4.076 -8.906 -5.315 1.00 0.00 O ATOM 545 NE2 GLN A 42 2.880 -10.779 -4.945 1.00 0.00 N ATOM 0 H GLN A 42 0.195 -7.545 -2.882 1.00 0.00 H new ATOM 0 HA GLN A 42 1.597 -5.710 -4.420 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.545 -7.073 -3.941 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.526 -6.981 -2.518 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.929 -9.274 -2.561 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.455 -9.218 -3.507 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.171 -11.238 -4.373 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.315 -11.281 -5.719 1.00 0.00 H new ATOM 552 N ASN A 43 0.603 -8.282 -6.071 1.00 0.00 N ATOM 553 CA ASN A 43 0.441 -8.800 -7.418 1.00 0.00 C ATOM 554 C ASN A 43 0.462 -7.639 -8.414 1.00 0.00 C ATOM 555 O ASN A 43 1.085 -7.733 -9.471 1.00 0.00 O ATOM 556 CB ASN A 43 -0.896 -9.530 -7.570 1.00 0.00 C ATOM 557 CG ASN A 43 -0.991 -10.222 -8.931 1.00 0.00 C ATOM 558 OD1 ASN A 43 -1.679 -9.778 -9.835 1.00 0.00 O ATOM 559 ND2 ASN A 43 -0.264 -11.332 -9.026 1.00 0.00 N ATOM 0 H ASN A 43 -0.014 -8.701 -5.375 1.00 0.00 H new ATOM 0 HA ASN A 43 1.257 -9.497 -7.611 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.004 -10.267 -6.775 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.716 -8.821 -7.461 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.261 -11.867 -9.895 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.290 -11.648 -8.230 1.00 0.00 H new ATOM 564 N GLN A 44 -0.227 -6.570 -8.042 1.00 0.00 N ATOM 565 CA GLN A 44 -0.358 -5.421 -8.921 1.00 0.00 C ATOM 566 C GLN A 44 0.511 -4.266 -8.418 1.00 0.00 C ATOM 567 O GLN A 44 1.316 -3.717 -9.168 1.00 0.00 O ATOM 568 CB GLN A 44 -1.821 -4.992 -9.049 1.00 0.00 C ATOM 569 CG GLN A 44 -2.199 -4.762 -10.514 1.00 0.00 C ATOM 570 CD GLN A 44 -1.341 -3.659 -11.135 1.00 0.00 C ATOM 571 OE1 GLN A 44 -0.269 -3.897 -11.668 1.00 0.00 O ATOM 572 NE2 GLN A 44 -1.869 -2.442 -11.037 1.00 0.00 N ATOM 0 H GLN A 44 -0.700 -6.476 -7.143 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.010 -5.706 -9.914 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.467 -5.757 -8.619 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.987 -4.078 -8.479 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.071 -5.687 -11.076 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.252 -4.491 -10.583 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.771 -2.313 -10.578 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.372 -1.638 -11.421 1.00 0.00 H new ATOM 579 N GLU A 45 0.317 -3.931 -7.151 1.00 0.00 N ATOM 580 CA GLU A 45 1.020 -2.806 -6.559 1.00 0.00 C ATOM 581 C GLU A 45 2.532 -3.028 -6.629 1.00 0.00 C ATOM 582 O GLU A 45 3.001 -4.162 -6.546 1.00 0.00 O ATOM 583 CB GLU A 45 0.567 -2.574 -5.116 1.00 0.00 C ATOM 584 CG GLU A 45 0.872 -1.144 -4.668 1.00 0.00 C ATOM 585 CD GLU A 45 0.037 -0.132 -5.456 1.00 0.00 C ATOM 586 OE1 GLU A 45 0.494 0.377 -6.490 1.00 0.00 O ATOM 587 OE2 GLU A 45 -1.127 0.118 -4.960 1.00 0.00 O ATOM 0 H GLU A 45 -0.317 -4.419 -6.518 1.00 0.00 H new ATOM 0 HA GLU A 45 0.777 -1.910 -7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.503 -2.765 -5.032 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.069 -3.281 -4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.665 -1.041 -3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.932 -0.934 -4.808 1.00 0.00 H new ATOM 593 N PHE A 46 3.253 -1.927 -6.782 1.00 0.00 N ATOM 594 CA PHE A 46 4.697 -1.993 -6.934 1.00 0.00 C ATOM 595 C PHE A 46 5.380 -2.231 -5.585 1.00 0.00 C ATOM 596 O PHE A 46 6.604 -2.173 -5.486 1.00 0.00 O ATOM 597 CB PHE A 46 5.150 -0.643 -7.491 1.00 0.00 C ATOM 598 CG PHE A 46 5.538 0.375 -6.416 1.00 0.00 C ATOM 599 CD1 PHE A 46 4.571 1.055 -5.743 1.00 0.00 C ATOM 600 CD2 PHE A 46 6.849 0.601 -6.133 1.00 0.00 C ATOM 601 CE1 PHE A 46 4.929 1.999 -4.746 1.00 0.00 C ATOM 602 CE2 PHE A 46 7.208 1.545 -5.136 1.00 0.00 C ATOM 603 CZ PHE A 46 6.241 2.225 -4.463 1.00 0.00 C ATOM 0 H PHE A 46 2.864 -0.984 -6.804 1.00 0.00 H new ATOM 0 HA PHE A 46 4.964 -2.816 -7.596 1.00 0.00 H new ATOM 0 HB2 PHE A 46 6.003 -0.802 -8.151 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.348 -0.225 -8.100 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.530 0.876 -5.968 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.617 0.062 -6.667 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.161 2.538 -4.212 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.249 1.724 -4.912 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.514 2.944 -3.705 1.00 0.00 H new ATOM 612 N GLU A 47 4.557 -2.495 -4.581 1.00 0.00 N ATOM 613 CA GLU A 47 5.044 -3.107 -3.356 1.00 0.00 C ATOM 614 C GLU A 47 6.271 -3.974 -3.647 1.00 0.00 C ATOM 615 O GLU A 47 6.172 -4.975 -4.355 1.00 0.00 O ATOM 616 CB GLU A 47 3.944 -3.923 -2.675 1.00 0.00 C ATOM 617 CG GLU A 47 4.489 -4.670 -1.457 1.00 0.00 C ATOM 618 CD GLU A 47 5.194 -3.710 -0.495 1.00 0.00 C ATOM 619 OE1 GLU A 47 6.316 -3.991 -0.051 1.00 0.00 O ATOM 620 OE2 GLU A 47 4.533 -2.639 -0.212 1.00 0.00 O ATOM 0 H GLU A 47 3.557 -2.297 -4.590 1.00 0.00 H new ATOM 0 HA GLU A 47 5.339 -2.314 -2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.133 -3.262 -2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.523 -4.635 -3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.673 -5.174 -0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.186 -5.442 -1.782 1.00 0.00 H new ATOM 626 N SER A 48 7.397 -3.559 -3.085 1.00 0.00 N ATOM 627 CA SER A 48 8.626 -4.319 -3.224 1.00 0.00 C ATOM 628 C SER A 48 9.600 -3.948 -2.104 1.00 0.00 C ATOM 629 O SER A 48 10.788 -3.750 -2.350 1.00 0.00 O ATOM 630 CB SER A 48 9.272 -4.079 -4.590 1.00 0.00 C ATOM 631 OG SER A 48 9.852 -2.781 -4.685 1.00 0.00 O ATOM 0 H SER A 48 7.483 -2.706 -2.533 1.00 0.00 H new ATOM 0 HA SER A 48 8.382 -5.379 -3.149 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.039 -4.833 -4.766 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.522 -4.199 -5.372 1.00 0.00 H new ATOM 0 HG SER A 48 10.604 -2.712 -4.060 1.00 0.00 H new ATOM 636 N ALA A 49 9.060 -3.865 -0.897 1.00 0.00 N ATOM 637 CA ALA A 49 9.841 -3.419 0.244 1.00 0.00 C ATOM 638 C ALA A 49 10.816 -4.525 0.653 1.00 0.00 C ATOM 639 O ALA A 49 11.994 -4.262 0.892 1.00 0.00 O ATOM 640 CB ALA A 49 8.901 -3.020 1.384 1.00 0.00 C ATOM 0 H ALA A 49 8.090 -4.099 -0.684 1.00 0.00 H new ATOM 0 HA ALA A 49 10.430 -2.539 -0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.488 -2.686 2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.250 -2.211 1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.295 -3.879 1.673 1.00 0.00 H new ATOM 646 N ALA A 50 10.289 -5.739 0.720 1.00 0.00 N ATOM 647 CA ALA A 50 11.069 -6.868 1.199 1.00 0.00 C ATOM 648 C ALA A 50 11.674 -7.607 0.003 1.00 0.00 C ATOM 649 O ALA A 50 12.410 -8.577 0.177 1.00 0.00 O ATOM 650 CB ALA A 50 10.184 -7.773 2.057 1.00 0.00 C ATOM 0 H ALA A 50 9.332 -5.965 0.451 1.00 0.00 H new ATOM 0 HA ALA A 50 11.892 -6.528 1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.769 -8.620 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.803 -7.208 2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.348 -8.137 1.459 1.00 0.00 H new ATOM 656 N GLY A 51 11.341 -7.120 -1.184 1.00 0.00 N ATOM 657 CA GLY A 51 11.865 -7.705 -2.405 1.00 0.00 C ATOM 658 C GLY A 51 11.348 -9.132 -2.597 1.00 0.00 C ATOM 659 O GLY A 51 11.887 -9.889 -3.401 1.00 0.00 O ATOM 0 H GLY A 51 10.715 -6.327 -1.325 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.576 -7.092 -3.259 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.954 -7.711 -2.371 1.00 0.00 H new ATOM 663 N SER A 52 10.308 -9.457 -1.842 1.00 0.00 N ATOM 664 CA SER A 52 9.837 -10.828 -1.767 1.00 0.00 C ATOM 665 C SER A 52 8.308 -10.856 -1.739 1.00 0.00 C ATOM 666 O SER A 52 7.683 -11.598 -2.495 1.00 0.00 O ATOM 667 CB SER A 52 10.403 -11.539 -0.536 1.00 0.00 C ATOM 668 OG SER A 52 11.811 -11.358 -0.415 1.00 0.00 O ATOM 0 H SER A 52 9.779 -8.793 -1.277 1.00 0.00 H new ATOM 0 HA SER A 52 10.188 -11.358 -2.653 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.911 -11.160 0.360 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.178 -12.604 -0.597 1.00 0.00 H new ATOM 0 HG SER A 52 12.003 -10.421 -0.201 1.00 0.00 H new ATOM 673 N THR A 53 7.748 -10.038 -0.860 1.00 0.00 N ATOM 674 CA THR A 53 6.314 -9.812 -0.856 1.00 0.00 C ATOM 675 C THR A 53 5.564 -11.138 -0.990 1.00 0.00 C ATOM 676 O THR A 53 4.647 -11.258 -1.802 1.00 0.00 O ATOM 677 CB THR A 53 5.989 -8.814 -1.969 1.00 0.00 C ATOM 678 OG1 THR A 53 6.221 -9.546 -3.169 1.00 0.00 O ATOM 679 CG2 THR A 53 6.992 -7.662 -2.034 1.00 0.00 C ATOM 0 H THR A 53 8.263 -9.523 -0.145 1.00 0.00 H new ATOM 0 HA THR A 53 5.984 -9.383 0.090 1.00 0.00 H new ATOM 0 HB THR A 53 4.987 -8.413 -1.816 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.115 -9.338 -3.512 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.715 -6.983 -2.841 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.987 -7.122 -1.087 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.990 -8.059 -2.220 1.00 0.00 H new ATOM 687 N THR A 54 5.981 -12.103 -0.184 1.00 0.00 N ATOM 688 CA THR A 54 5.352 -13.412 -0.193 1.00 0.00 C ATOM 689 C THR A 54 5.566 -14.097 -1.544 1.00 0.00 C ATOM 690 O THR A 54 6.391 -15.002 -1.661 1.00 0.00 O ATOM 691 CB THR A 54 3.876 -13.229 0.169 1.00 0.00 C ATOM 692 OG1 THR A 54 3.906 -12.664 1.477 1.00 0.00 O ATOM 693 CG2 THR A 54 3.150 -14.563 0.356 1.00 0.00 C ATOM 0 H THR A 54 6.748 -12.004 0.481 1.00 0.00 H new ATOM 0 HA THR A 54 5.804 -14.074 0.546 1.00 0.00 H new ATOM 0 HB THR A 54 3.380 -12.651 -0.611 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.880 -11.687 1.412 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.107 -14.377 0.612 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.200 -15.137 -0.569 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.625 -15.126 1.159 1.00 0.00 H new ATOM 701 N LEU A 55 4.809 -13.640 -2.530 1.00 0.00 N ATOM 702 CA LEU A 55 4.853 -14.244 -3.851 1.00 0.00 C ATOM 703 C LEU A 55 5.095 -13.154 -4.897 1.00 0.00 C ATOM 704 O LEU A 55 4.317 -13.007 -5.838 1.00 0.00 O ATOM 705 CB LEU A 55 3.593 -15.071 -4.106 1.00 0.00 C ATOM 706 CG LEU A 55 3.642 -16.017 -5.307 1.00 0.00 C ATOM 707 CD1 LEU A 55 4.467 -17.265 -4.988 1.00 0.00 C ATOM 708 CD2 LEU A 55 2.232 -16.369 -5.786 1.00 0.00 C ATOM 0 H LEU A 55 4.161 -12.858 -2.441 1.00 0.00 H new ATOM 0 HA LEU A 55 5.685 -14.945 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.382 -15.660 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.755 -14.387 -4.242 1.00 0.00 H new ATOM 0 HG LEU A 55 4.141 -15.502 -6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.486 -17.921 -5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.485 -16.972 -4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.018 -17.792 -4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.296 -17.043 -6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.685 -16.857 -4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.710 -15.459 -6.080 1.00 0.00 H new ATOM 719 N GLY A 56 6.179 -12.417 -4.699 1.00 0.00 N ATOM 720 CA GLY A 56 6.595 -11.420 -5.670 1.00 0.00 C ATOM 721 C GLY A 56 8.067 -11.048 -5.481 1.00 0.00 C ATOM 722 O GLY A 56 8.380 -10.043 -4.847 1.00 0.00 O ATOM 0 H GLY A 56 6.782 -12.491 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.440 -11.803 -6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.976 -10.529 -5.569 1.00 0.00 H new ATOM 726 N PRO A 57 8.954 -11.905 -6.056 1.00 0.00 N ATOM 727 CA PRO A 57 10.385 -11.688 -5.939 1.00 0.00 C ATOM 728 C PRO A 57 10.843 -10.547 -6.849 1.00 0.00 C ATOM 729 O PRO A 57 10.593 -10.570 -8.054 1.00 0.00 O ATOM 730 CB PRO A 57 11.016 -13.024 -6.298 1.00 0.00 C ATOM 731 CG PRO A 57 9.947 -13.801 -7.049 1.00 0.00 C ATOM 732 CD PRO A 57 8.617 -13.096 -6.828 1.00 0.00 C ATOM 0 HA PRO A 57 10.683 -11.378 -4.937 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.903 -12.884 -6.915 1.00 0.00 H new ATOM 0 HB3 PRO A 57 11.332 -13.560 -5.403 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.183 -13.846 -8.112 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.899 -14.829 -6.690 1.00 0.00 H new ATOM 0 HD2 PRO A 57 8.145 -12.834 -7.775 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.916 -13.733 -6.288 1.00 0.00 H new ATOM 737 N GLN A 58 11.506 -9.575 -6.239 1.00 0.00 N ATOM 738 CA GLN A 58 11.947 -8.398 -6.968 1.00 0.00 C ATOM 739 C GLN A 58 13.418 -8.107 -6.664 1.00 0.00 C ATOM 740 O GLN A 58 14.090 -7.421 -7.434 1.00 0.00 O ATOM 741 CB GLN A 58 11.069 -7.190 -6.640 1.00 0.00 C ATOM 742 CG GLN A 58 9.656 -7.369 -7.198 1.00 0.00 C ATOM 743 CD GLN A 58 9.639 -7.185 -8.717 1.00 0.00 C ATOM 744 OE1 GLN A 58 9.677 -6.081 -9.235 1.00 0.00 O ATOM 745 NE2 GLN A 58 9.578 -8.326 -9.399 1.00 0.00 N ATOM 0 H GLN A 58 11.748 -9.579 -5.248 1.00 0.00 H new ATOM 0 HA GLN A 58 11.849 -8.597 -8.035 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.022 -7.053 -5.560 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.516 -6.287 -7.057 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.284 -8.362 -6.944 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.984 -6.648 -6.733 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.549 -9.216 -8.902 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.560 -8.310 -10.419 1.00 0.00 H new TER 752 GLN A 58