USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 858 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 92 ASN : amide:sc= -7.2! C(o=-7!,f=-11!) USER MOD Set 1.2: A 103 LYS NZ :NH3+ -148:sc= 0.217 (180deg=-1.11) USER MOD Set 2.1: A 1 GLY N :NH3+ -137:sc= 1.32 (180deg=0) USER MOD Set 2.2: A 34 ASN : amide:sc= -2.42! K(o=-1.1!,f=-6.1) USER MOD Single : A 4 SER OG : rot 22:sc= 0.79 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -49:sc= 0.154 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.03 K(o=-1,f=-0.0077) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 156:sc= -0.271 (180deg=-1.12) USER MOD Single : A 60 THR OG1 : rot 99:sc= 0.962 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0283 USER MOD Single : A 63 SER OG : rot -35:sc= 0.211 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 99:sc= 1.32 USER MOD Single : A 75 GLN : amide:sc= -2.41! K(o=-2.4!,f=-0.52) USER MOD Single : A 76 SER OG : rot 77:sc= 0.469 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -160:sc= -0.596 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0252 USER MOD Single : A 111 GLN : amide:sc= -0.511 X(o=-0.51,f=-0.069) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.783 -1.824 1.529 1.00 11.50 N ATOM 2 CA GLY A 1 15.328 -2.819 2.483 1.00 51.42 C ATOM 3 C GLY A 1 15.458 -4.194 1.853 1.00 54.42 C ATOM 4 O GLY A 1 15.283 -4.334 0.641 1.00 24.12 O ATOM 0 H1 GLY A 1 15.316 -0.935 1.613 1.00 11.50 H new ATOM 0 H2 GLY A 1 14.869 -2.189 0.559 1.00 11.50 H new ATOM 0 H3 GLY A 1 13.781 -1.649 1.745 1.00 11.50 H new ATOM 0 HA2 GLY A 1 16.305 -2.487 2.835 1.00 51.42 H new ATOM 0 HA3 GLY A 1 14.678 -2.879 3.356 1.00 51.42 H new ATOM 10 N PRO A 2 15.782 -5.232 2.650 1.00 24.32 N ATOM 11 CA PRO A 2 15.905 -6.611 2.151 1.00 45.13 C ATOM 12 C PRO A 2 14.570 -7.165 1.653 1.00 52.11 C ATOM 13 O PRO A 2 14.533 -8.035 0.778 1.00 74.42 O ATOM 14 CB PRO A 2 16.402 -7.404 3.375 1.00 13.14 C ATOM 15 CG PRO A 2 16.920 -6.373 4.323 1.00 32.24 C ATOM 16 CD PRO A 2 16.083 -5.148 4.090 1.00 53.25 C ATOM 0 HA PRO A 2 16.577 -6.675 1.295 1.00 45.13 H new ATOM 0 HB2 PRO A 2 15.595 -7.982 3.824 1.00 13.14 H new ATOM 0 HB3 PRO A 2 17.183 -8.111 3.096 1.00 13.14 H new ATOM 0 HG2 PRO A 2 16.837 -6.713 5.355 1.00 32.24 H new ATOM 0 HG3 PRO A 2 17.975 -6.167 4.139 1.00 32.24 H new ATOM 0 HD2 PRO A 2 15.176 -5.156 4.695 1.00 53.25 H new ATOM 0 HD3 PRO A 2 16.624 -4.235 4.338 1.00 53.25 H new ATOM 24 N GLY A 3 13.480 -6.661 2.229 1.00 72.41 N ATOM 25 CA GLY A 3 12.152 -7.091 1.839 1.00 11.43 C ATOM 26 C GLY A 3 11.871 -6.884 0.358 1.00 65.13 C ATOM 27 O GLY A 3 11.589 -5.764 -0.077 1.00 4.12 O ATOM 0 H GLY A 3 13.497 -5.956 2.966 1.00 72.41 H new ATOM 0 HA2 GLY A 3 12.032 -8.147 2.082 1.00 11.43 H new ATOM 0 HA3 GLY A 3 11.413 -6.544 2.423 1.00 11.43 H new ATOM 31 N SER A 4 11.973 -7.967 -0.408 1.00 21.34 N ATOM 32 CA SER A 4 11.634 -7.968 -1.826 1.00 54.23 C ATOM 33 C SER A 4 11.232 -9.381 -2.246 1.00 71.32 C ATOM 34 O SER A 4 12.084 -10.269 -2.347 1.00 33.31 O ATOM 35 CB SER A 4 12.824 -7.477 -2.667 1.00 13.32 C ATOM 36 OG SER A 4 12.530 -7.513 -4.059 1.00 61.05 O ATOM 0 H SER A 4 12.294 -8.871 -0.061 1.00 21.34 H new ATOM 0 HA SER A 4 10.799 -7.288 -1.995 1.00 54.23 H new ATOM 0 HB2 SER A 4 13.082 -6.459 -2.375 1.00 13.32 H new ATOM 0 HB3 SER A 4 13.696 -8.098 -2.462 1.00 13.32 H new ATOM 0 HG SER A 4 11.559 -7.505 -4.189 1.00 61.05 H new ATOM 42 N MET A 5 9.938 -9.589 -2.472 1.00 62.23 N ATOM 43 CA MET A 5 9.417 -10.915 -2.816 1.00 1.41 C ATOM 44 C MET A 5 7.964 -10.831 -3.291 1.00 32.43 C ATOM 45 O MET A 5 7.265 -11.846 -3.353 1.00 12.54 O ATOM 46 CB MET A 5 9.521 -11.851 -1.599 1.00 34.34 C ATOM 47 CG MET A 5 8.821 -11.314 -0.357 1.00 71.15 C ATOM 48 SD MET A 5 8.996 -12.400 1.073 1.00 40.35 S ATOM 49 CE MET A 5 8.167 -11.433 2.336 1.00 40.34 C ATOM 0 H MET A 5 9.228 -8.858 -2.424 1.00 62.23 H new ATOM 0 HA MET A 5 10.017 -11.316 -3.633 1.00 1.41 H new ATOM 0 HB2 MET A 5 9.092 -12.819 -1.858 1.00 34.34 H new ATOM 0 HB3 MET A 5 10.573 -12.019 -1.369 1.00 34.34 H new ATOM 0 HG2 MET A 5 9.227 -10.332 -0.113 1.00 71.15 H new ATOM 0 HG3 MET A 5 7.762 -11.176 -0.574 1.00 71.15 H new ATOM 0 HE1 MET A 5 8.192 -11.973 3.282 1.00 40.34 H new ATOM 0 HE2 MET A 5 8.674 -10.475 2.452 1.00 40.34 H new ATOM 0 HE3 MET A 5 7.131 -11.263 2.042 1.00 40.34 H new ATOM 59 N SER A 6 7.516 -9.630 -3.642 1.00 42.13 N ATOM 60 CA SER A 6 6.135 -9.421 -4.078 1.00 23.41 C ATOM 61 C SER A 6 6.099 -8.734 -5.443 1.00 54.30 C ATOM 62 O SER A 6 5.066 -8.700 -6.118 1.00 21.50 O ATOM 63 CB SER A 6 5.385 -8.578 -3.036 1.00 43.31 C ATOM 64 OG SER A 6 5.519 -9.133 -1.733 1.00 71.55 O ATOM 0 H SER A 6 8.087 -8.785 -3.634 1.00 42.13 H new ATOM 0 HA SER A 6 5.646 -10.390 -4.173 1.00 23.41 H new ATOM 0 HB2 SER A 6 5.772 -7.559 -3.042 1.00 43.31 H new ATOM 0 HB3 SER A 6 4.330 -8.520 -3.303 1.00 43.31 H new ATOM 0 HG SER A 6 5.314 -10.091 -1.763 1.00 71.55 H new ATOM 70 N GLU A 7 7.252 -8.228 -5.860 1.00 24.45 N ATOM 71 CA GLU A 7 7.363 -7.413 -7.060 1.00 13.55 C ATOM 72 C GLU A 7 7.294 -8.301 -8.299 1.00 32.24 C ATOM 73 O GLU A 7 8.312 -8.805 -8.775 1.00 15.02 O ATOM 74 CB GLU A 7 8.678 -6.611 -7.030 1.00 22.30 C ATOM 75 CG GLU A 7 8.857 -5.719 -5.790 1.00 12.50 C ATOM 76 CD GLU A 7 8.889 -6.502 -4.480 1.00 3.14 C ATOM 77 OE1 GLU A 7 8.122 -6.171 -3.557 1.00 0.32 O ATOM 78 OE2 GLU A 7 9.657 -7.482 -4.388 1.00 20.22 O ATOM 0 H GLU A 7 8.137 -8.372 -5.374 1.00 24.45 H new ATOM 0 HA GLU A 7 6.533 -6.708 -7.097 1.00 13.55 H new ATOM 0 HB2 GLU A 7 9.514 -7.308 -7.084 1.00 22.30 H new ATOM 0 HB3 GLU A 7 8.727 -5.985 -7.921 1.00 22.30 H new ATOM 0 HG2 GLU A 7 9.783 -5.153 -5.889 1.00 12.50 H new ATOM 0 HG3 GLU A 7 8.043 -4.995 -5.752 1.00 12.50 H new ATOM 85 N THR A 8 6.079 -8.522 -8.794 1.00 54.14 N ATOM 86 CA THR A 8 5.852 -9.437 -9.913 1.00 34.44 C ATOM 87 C THR A 8 4.752 -8.920 -10.847 1.00 15.13 C ATOM 88 O THR A 8 4.075 -9.702 -11.522 1.00 62.41 O ATOM 89 CB THR A 8 5.469 -10.843 -9.384 1.00 71.25 C ATOM 90 OG1 THR A 8 4.513 -10.713 -8.319 1.00 44.23 O ATOM 91 CG2 THR A 8 6.690 -11.614 -8.885 1.00 64.40 C ATOM 0 H THR A 8 5.232 -8.079 -8.437 1.00 54.14 H new ATOM 0 HA THR A 8 6.779 -9.501 -10.482 1.00 34.44 H new ATOM 0 HB THR A 8 5.035 -11.404 -10.212 1.00 71.25 H new ATOM 0 HG1 THR A 8 4.271 -11.602 -7.987 1.00 44.23 H new ATOM 0 HG21 THR A 8 6.379 -12.594 -8.523 1.00 64.40 H new ATOM 0 HG22 THR A 8 7.401 -11.738 -9.702 1.00 64.40 H new ATOM 0 HG23 THR A 8 7.163 -11.061 -8.074 1.00 64.40 H new ATOM 99 N SER A 9 4.603 -7.603 -10.909 1.00 71.21 N ATOM 100 CA SER A 9 3.552 -6.981 -11.714 1.00 0.44 C ATOM 101 C SER A 9 4.155 -5.966 -12.685 1.00 30.15 C ATOM 102 O SER A 9 5.172 -5.347 -12.375 1.00 50.53 O ATOM 103 CB SER A 9 2.535 -6.301 -10.788 1.00 3.31 C ATOM 104 OG SER A 9 2.067 -7.210 -9.799 1.00 41.53 O ATOM 0 H SER A 9 5.197 -6.940 -10.411 1.00 71.21 H new ATOM 0 HA SER A 9 3.045 -7.749 -12.298 1.00 0.44 H new ATOM 0 HB2 SER A 9 2.995 -5.438 -10.307 1.00 3.31 H new ATOM 0 HB3 SER A 9 1.694 -5.929 -11.374 1.00 3.31 H new ATOM 0 HG SER A 9 1.421 -6.757 -9.218 1.00 41.53 H new ATOM 110 N ALA A 10 3.526 -5.819 -13.858 1.00 2.13 N ATOM 111 CA ALA A 10 3.963 -4.864 -14.883 1.00 40.50 C ATOM 112 C ALA A 10 5.264 -5.319 -15.558 1.00 54.14 C ATOM 113 O ALA A 10 6.029 -6.095 -14.983 1.00 71.04 O ATOM 114 CB ALA A 10 4.121 -3.463 -14.286 1.00 53.34 C ATOM 0 H ALA A 10 2.701 -6.358 -14.122 1.00 2.13 H new ATOM 0 HA ALA A 10 3.190 -4.826 -15.651 1.00 40.50 H new ATOM 0 HB1 ALA A 10 4.446 -2.771 -15.063 1.00 53.34 H new ATOM 0 HB2 ALA A 10 3.166 -3.131 -13.880 1.00 53.34 H new ATOM 0 HB3 ALA A 10 4.865 -3.489 -13.489 1.00 53.34 H new ATOM 120 N PRO A 11 5.523 -4.859 -16.803 1.00 33.15 N ATOM 121 CA PRO A 11 6.769 -5.173 -17.516 1.00 1.24 C ATOM 122 C PRO A 11 7.990 -4.716 -16.720 1.00 41.04 C ATOM 123 O PRO A 11 7.906 -3.753 -15.963 1.00 14.25 O ATOM 124 CB PRO A 11 6.651 -4.395 -18.839 1.00 42.53 C ATOM 125 CG PRO A 11 5.582 -3.380 -18.599 1.00 3.44 C ATOM 126 CD PRO A 11 4.634 -4.005 -17.613 1.00 32.43 C ATOM 0 HA PRO A 11 6.901 -6.244 -17.670 1.00 1.24 H new ATOM 0 HB2 PRO A 11 7.595 -3.918 -19.102 1.00 42.53 H new ATOM 0 HB3 PRO A 11 6.388 -5.057 -19.664 1.00 42.53 H new ATOM 0 HG2 PRO A 11 6.003 -2.455 -18.204 1.00 3.44 H new ATOM 0 HG3 PRO A 11 5.069 -3.126 -19.527 1.00 3.44 H new ATOM 0 HD2 PRO A 11 4.130 -3.254 -17.005 1.00 32.43 H new ATOM 0 HD3 PRO A 11 3.858 -4.586 -18.111 1.00 32.43 H new ATOM 134 N ALA A 12 9.117 -5.400 -16.920 1.00 32.31 N ATOM 135 CA ALA A 12 10.341 -5.172 -16.138 1.00 73.44 C ATOM 136 C ALA A 12 10.660 -3.683 -15.960 1.00 40.05 C ATOM 137 O ALA A 12 11.030 -3.246 -14.866 1.00 33.03 O ATOM 138 CB ALA A 12 11.519 -5.889 -16.793 1.00 72.23 C ATOM 0 H ALA A 12 9.211 -6.128 -17.628 1.00 32.31 H new ATOM 0 HA ALA A 12 10.168 -5.580 -15.142 1.00 73.44 H new ATOM 0 HB1 ALA A 12 12.422 -5.715 -16.208 1.00 72.23 H new ATOM 0 HB2 ALA A 12 11.315 -6.959 -16.836 1.00 72.23 H new ATOM 0 HB3 ALA A 12 11.662 -5.506 -17.803 1.00 72.23 H new ATOM 144 N GLU A 13 10.499 -2.914 -17.031 1.00 31.23 N ATOM 145 CA GLU A 13 10.822 -1.489 -17.015 1.00 13.15 C ATOM 146 C GLU A 13 9.876 -0.742 -16.075 1.00 24.42 C ATOM 147 O GLU A 13 10.311 -0.018 -15.172 1.00 5.02 O ATOM 148 CB GLU A 13 10.730 -0.886 -18.431 1.00 2.11 C ATOM 149 CG GLU A 13 11.337 -1.754 -19.538 1.00 71.02 C ATOM 150 CD GLU A 13 10.316 -2.675 -20.197 1.00 15.44 C ATOM 151 OE1 GLU A 13 9.750 -2.288 -21.241 1.00 4.20 O ATOM 152 OE2 GLU A 13 10.066 -3.779 -19.672 1.00 2.45 O ATOM 0 H GLU A 13 10.145 -3.254 -17.925 1.00 31.23 H new ATOM 0 HA GLU A 13 11.846 -1.380 -16.657 1.00 13.15 H new ATOM 0 HB2 GLU A 13 9.681 -0.703 -18.666 1.00 2.11 H new ATOM 0 HB3 GLU A 13 11.231 0.082 -18.432 1.00 2.11 H new ATOM 0 HG2 GLU A 13 11.780 -1.109 -20.297 1.00 71.02 H new ATOM 0 HG3 GLU A 13 12.144 -2.355 -19.120 1.00 71.02 H new ATOM 159 N GLU A 14 8.578 -0.952 -16.283 1.00 32.43 N ATOM 160 CA GLU A 14 7.545 -0.271 -15.509 1.00 42.45 C ATOM 161 C GLU A 14 7.572 -0.745 -14.056 1.00 64.42 C ATOM 162 O GLU A 14 7.302 0.025 -13.137 1.00 33.20 O ATOM 163 CB GLU A 14 6.166 -0.520 -16.144 1.00 63.13 C ATOM 164 CG GLU A 14 5.014 0.198 -15.448 1.00 42.00 C ATOM 165 CD GLU A 14 3.712 0.106 -16.230 1.00 63.53 C ATOM 166 OE1 GLU A 14 2.987 -0.900 -16.082 1.00 11.12 O ATOM 167 OE2 GLU A 14 3.417 1.041 -17.007 1.00 31.25 O ATOM 0 H GLU A 14 8.215 -1.594 -16.988 1.00 32.43 H new ATOM 0 HA GLU A 14 7.740 0.801 -15.518 1.00 42.45 H new ATOM 0 HB2 GLU A 14 6.197 -0.205 -17.187 1.00 63.13 H new ATOM 0 HB3 GLU A 14 5.966 -1.591 -16.140 1.00 63.13 H new ATOM 0 HG2 GLU A 14 4.869 -0.231 -14.456 1.00 42.00 H new ATOM 0 HG3 GLU A 14 5.276 1.247 -15.307 1.00 42.00 H new ATOM 174 N LEU A 15 7.936 -2.010 -13.869 1.00 73.31 N ATOM 175 CA LEU A 15 8.020 -2.618 -12.544 1.00 31.54 C ATOM 176 C LEU A 15 9.120 -1.932 -11.739 1.00 1.10 C ATOM 177 O LEU A 15 8.900 -1.506 -10.608 1.00 11.14 O ATOM 178 CB LEU A 15 8.296 -4.133 -12.684 1.00 72.11 C ATOM 179 CG LEU A 15 8.129 -5.003 -11.413 1.00 55.02 C ATOM 180 CD1 LEU A 15 8.154 -6.487 -11.777 1.00 61.42 C ATOM 181 CD2 LEU A 15 9.205 -4.701 -10.367 1.00 13.44 C ATOM 0 H LEU A 15 8.181 -2.643 -14.631 1.00 73.31 H new ATOM 0 HA LEU A 15 7.075 -2.490 -12.016 1.00 31.54 H new ATOM 0 HB2 LEU A 15 7.632 -4.528 -13.453 1.00 72.11 H new ATOM 0 HB3 LEU A 15 9.316 -4.258 -13.048 1.00 72.11 H new ATOM 0 HG LEU A 15 7.162 -4.755 -10.974 1.00 55.02 H new ATOM 0 HD11 LEU A 15 8.036 -7.085 -10.874 1.00 61.42 H new ATOM 0 HD12 LEU A 15 7.339 -6.706 -12.467 1.00 61.42 H new ATOM 0 HD13 LEU A 15 9.105 -6.729 -12.251 1.00 61.42 H new ATOM 0 HD21 LEU A 15 9.050 -5.333 -9.493 1.00 13.44 H new ATOM 0 HD22 LEU A 15 10.190 -4.901 -10.790 1.00 13.44 H new ATOM 0 HD23 LEU A 15 9.143 -3.653 -10.073 1.00 13.44 H new ATOM 193 N LEU A 16 10.302 -1.820 -12.343 1.00 32.40 N ATOM 194 CA LEU A 16 11.457 -1.218 -11.681 1.00 52.03 C ATOM 195 C LEU A 16 11.138 0.205 -11.222 1.00 22.33 C ATOM 196 O LEU A 16 11.329 0.553 -10.054 1.00 4.33 O ATOM 197 CB LEU A 16 12.670 -1.216 -12.622 1.00 63.53 C ATOM 198 CG LEU A 16 13.967 -0.639 -12.027 1.00 21.43 C ATOM 199 CD1 LEU A 16 14.403 -1.432 -10.797 1.00 62.20 C ATOM 200 CD2 LEU A 16 15.078 -0.617 -13.076 1.00 41.54 C ATOM 0 H LEU A 16 10.485 -2.140 -13.294 1.00 32.40 H new ATOM 0 HA LEU A 16 11.697 -1.815 -10.801 1.00 52.03 H new ATOM 0 HB2 LEU A 16 12.862 -2.240 -12.942 1.00 63.53 H new ATOM 0 HB3 LEU A 16 12.415 -0.645 -13.515 1.00 63.53 H new ATOM 0 HG LEU A 16 13.769 0.386 -11.715 1.00 21.43 H new ATOM 0 HD11 LEU A 16 15.322 -1.004 -10.395 1.00 62.20 H new ATOM 0 HD12 LEU A 16 13.621 -1.388 -10.039 1.00 62.20 H new ATOM 0 HD13 LEU A 16 14.578 -2.471 -11.077 1.00 62.20 H new ATOM 0 HD21 LEU A 16 15.986 -0.206 -12.635 1.00 41.54 H new ATOM 0 HD22 LEU A 16 15.271 -1.632 -13.423 1.00 41.54 H new ATOM 0 HD23 LEU A 16 14.771 0.003 -13.919 1.00 41.54 H new ATOM 212 N ALA A 17 10.633 1.015 -12.147 1.00 24.14 N ATOM 213 CA ALA A 17 10.277 2.399 -11.849 1.00 4.51 C ATOM 214 C ALA A 17 9.196 2.464 -10.770 1.00 61.44 C ATOM 215 O ALA A 17 9.339 3.180 -9.773 1.00 24.01 O ATOM 216 CB ALA A 17 9.814 3.106 -13.117 1.00 53.14 C ATOM 0 H ALA A 17 10.460 0.736 -13.113 1.00 24.14 H new ATOM 0 HA ALA A 17 11.162 2.908 -11.468 1.00 4.51 H new ATOM 0 HB1 ALA A 17 9.551 4.138 -12.883 1.00 53.14 H new ATOM 0 HB2 ALA A 17 10.617 3.094 -13.854 1.00 53.14 H new ATOM 0 HB3 ALA A 17 8.942 2.592 -13.522 1.00 53.14 H new ATOM 222 N ASP A 18 8.138 1.678 -10.964 1.00 51.33 N ATOM 223 CA ASP A 18 6.998 1.666 -10.049 1.00 34.31 C ATOM 224 C ASP A 18 7.441 1.319 -8.637 1.00 21.13 C ATOM 225 O ASP A 18 7.113 2.022 -7.681 1.00 31.42 O ATOM 226 CB ASP A 18 5.944 0.653 -10.518 1.00 21.11 C ATOM 227 CG ASP A 18 4.799 0.494 -9.527 1.00 53.44 C ATOM 228 OD1 ASP A 18 4.788 -0.510 -8.784 1.00 64.25 O ATOM 229 OD2 ASP A 18 3.913 1.374 -9.490 1.00 34.02 O ATOM 0 H ASP A 18 8.047 1.037 -11.752 1.00 51.33 H new ATOM 0 HA ASP A 18 6.561 2.665 -10.046 1.00 34.31 H new ATOM 0 HB2 ASP A 18 5.544 0.971 -11.481 1.00 21.11 H new ATOM 0 HB3 ASP A 18 6.421 -0.315 -10.674 1.00 21.11 H new ATOM 234 N VAL A 19 8.228 0.258 -8.515 1.00 53.13 N ATOM 235 CA VAL A 19 8.645 -0.213 -7.208 1.00 65.23 C ATOM 236 C VAL A 19 9.602 0.781 -6.558 1.00 35.21 C ATOM 237 O VAL A 19 9.472 1.075 -5.375 1.00 34.53 O ATOM 238 CB VAL A 19 9.295 -1.627 -7.253 1.00 11.55 C ATOM 239 CG1 VAL A 19 10.672 -1.597 -7.914 1.00 25.22 C ATOM 240 CG2 VAL A 19 9.387 -2.218 -5.847 1.00 50.32 C ATOM 0 H VAL A 19 8.586 -0.286 -9.300 1.00 53.13 H new ATOM 0 HA VAL A 19 7.740 -0.294 -6.606 1.00 65.23 H new ATOM 0 HB VAL A 19 8.654 -2.265 -7.862 1.00 11.55 H new ATOM 0 HG11 VAL A 19 11.092 -2.603 -7.926 1.00 25.22 H new ATOM 0 HG12 VAL A 19 10.577 -1.231 -8.936 1.00 25.22 H new ATOM 0 HG13 VAL A 19 11.331 -0.935 -7.352 1.00 25.22 H new ATOM 0 HG21 VAL A 19 9.844 -3.206 -5.897 1.00 50.32 H new ATOM 0 HG22 VAL A 19 9.996 -1.568 -5.218 1.00 50.32 H new ATOM 0 HG23 VAL A 19 8.387 -2.301 -5.421 1.00 50.32 H new ATOM 250 N GLU A 20 10.544 1.330 -7.332 1.00 44.23 N ATOM 251 CA GLU A 20 11.559 2.208 -6.757 1.00 25.13 C ATOM 252 C GLU A 20 10.931 3.509 -6.256 1.00 22.33 C ATOM 253 O GLU A 20 11.330 4.034 -5.214 1.00 32.04 O ATOM 254 CB GLU A 20 12.718 2.459 -7.748 1.00 71.33 C ATOM 255 CG GLU A 20 12.397 3.358 -8.946 1.00 20.00 C ATOM 256 CD GLU A 20 12.595 4.840 -8.652 1.00 3.24 C ATOM 257 OE1 GLU A 20 13.732 5.238 -8.322 1.00 71.24 O ATOM 258 OE2 GLU A 20 11.624 5.614 -8.758 1.00 21.40 O ATOM 0 H GLU A 20 10.622 1.184 -8.338 1.00 44.23 H new ATOM 0 HA GLU A 20 11.994 1.705 -5.893 1.00 25.13 H new ATOM 0 HB2 GLU A 20 13.549 2.902 -7.199 1.00 71.33 H new ATOM 0 HB3 GLU A 20 13.062 1.496 -8.124 1.00 71.33 H new ATOM 0 HG2 GLU A 20 13.030 3.073 -9.786 1.00 20.00 H new ATOM 0 HG3 GLU A 20 11.365 3.189 -9.253 1.00 20.00 H new ATOM 265 N GLU A 21 9.942 4.035 -6.981 1.00 51.45 N ATOM 266 CA GLU A 21 9.232 5.227 -6.518 1.00 42.34 C ATOM 267 C GLU A 21 8.313 4.882 -5.342 1.00 71.21 C ATOM 268 O GLU A 21 8.327 5.563 -4.318 1.00 64.52 O ATOM 269 CB GLU A 21 8.457 5.907 -7.660 1.00 34.54 C ATOM 270 CG GLU A 21 7.362 5.056 -8.291 1.00 1.42 C ATOM 271 CD GLU A 21 6.693 5.751 -9.466 1.00 24.14 C ATOM 272 OE1 GLU A 21 5.705 6.484 -9.249 1.00 33.44 O ATOM 273 OE2 GLU A 21 7.167 5.587 -10.612 1.00 54.13 O ATOM 0 H GLU A 21 9.619 3.663 -7.874 1.00 51.45 H new ATOM 0 HA GLU A 21 9.974 5.945 -6.169 1.00 42.34 H new ATOM 0 HB2 GLU A 21 8.009 6.825 -7.279 1.00 34.54 H new ATOM 0 HB3 GLU A 21 9.164 6.197 -8.437 1.00 34.54 H new ATOM 0 HG2 GLU A 21 7.788 4.110 -8.626 1.00 1.42 H new ATOM 0 HG3 GLU A 21 6.611 4.818 -7.538 1.00 1.42 H new ATOM 280 N ALA A 22 7.554 3.795 -5.478 1.00 43.31 N ATOM 281 CA ALA A 22 6.648 3.344 -4.423 1.00 0.14 C ATOM 282 C ALA A 22 7.419 3.046 -3.138 1.00 35.02 C ATOM 283 O ALA A 22 6.915 3.258 -2.036 1.00 23.31 O ATOM 284 CB ALA A 22 5.872 2.111 -4.875 1.00 62.30 C ATOM 0 H ALA A 22 7.549 3.208 -6.312 1.00 43.31 H new ATOM 0 HA ALA A 22 5.938 4.145 -4.219 1.00 0.14 H new ATOM 0 HB1 ALA A 22 5.203 1.790 -4.077 1.00 62.30 H new ATOM 0 HB2 ALA A 22 5.288 2.354 -5.763 1.00 62.30 H new ATOM 0 HB3 ALA A 22 6.570 1.307 -5.109 1.00 62.30 H new ATOM 290 N MET A 23 8.668 2.603 -3.293 1.00 21.50 N ATOM 291 CA MET A 23 9.527 2.241 -2.159 1.00 13.11 C ATOM 292 C MET A 23 9.795 3.453 -1.278 1.00 60.22 C ATOM 293 O MET A 23 10.325 3.322 -0.184 1.00 14.51 O ATOM 294 CB MET A 23 10.856 1.623 -2.639 1.00 43.42 C ATOM 295 CG MET A 23 10.771 0.136 -2.990 1.00 63.10 C ATOM 296 SD MET A 23 10.637 -0.925 -1.536 1.00 11.11 S ATOM 297 CE MET A 23 10.472 -2.536 -2.306 1.00 52.24 C ATOM 0 H MET A 23 9.113 2.485 -4.203 1.00 21.50 H new ATOM 0 HA MET A 23 8.999 1.492 -1.570 1.00 13.11 H new ATOM 0 HB2 MET A 23 11.202 2.171 -3.515 1.00 43.42 H new ATOM 0 HB3 MET A 23 11.607 1.758 -1.861 1.00 43.42 H new ATOM 0 HG2 MET A 23 9.909 -0.031 -3.635 1.00 63.10 H new ATOM 0 HG3 MET A 23 11.655 -0.148 -3.560 1.00 63.10 H new ATOM 0 HE1 MET A 23 10.379 -3.300 -1.534 1.00 52.24 H new ATOM 0 HE2 MET A 23 9.584 -2.548 -2.938 1.00 52.24 H new ATOM 0 HE3 MET A 23 11.353 -2.740 -2.915 1.00 52.24 H new ATOM 307 N ARG A 24 9.466 4.631 -1.798 1.00 31.21 N ATOM 308 CA ARG A 24 9.562 5.879 -1.049 1.00 70.01 C ATOM 309 C ARG A 24 8.254 6.152 -0.300 1.00 74.12 C ATOM 310 O ARG A 24 8.266 6.701 0.801 1.00 55.11 O ATOM 311 CB ARG A 24 9.873 7.039 -2.014 1.00 73.53 C ATOM 312 CG ARG A 24 11.286 7.612 -1.885 1.00 64.21 C ATOM 313 CD ARG A 24 12.350 6.644 -2.393 1.00 24.11 C ATOM 314 NE ARG A 24 12.128 6.281 -3.796 1.00 4.43 N ATOM 315 CZ ARG A 24 12.785 6.815 -4.830 1.00 20.12 C ATOM 316 NH1 ARG A 24 13.727 7.731 -4.633 1.00 72.10 N ATOM 317 NH2 ARG A 24 12.502 6.423 -6.065 1.00 50.20 N ATOM 0 H ARG A 24 9.125 4.747 -2.752 1.00 31.21 H new ATOM 0 HA ARG A 24 10.367 5.794 -0.319 1.00 70.01 H new ATOM 0 HB2 ARG A 24 9.727 6.692 -3.037 1.00 73.53 H new ATOM 0 HB3 ARG A 24 9.153 7.840 -1.843 1.00 73.53 H new ATOM 0 HG2 ARG A 24 11.350 8.545 -2.444 1.00 64.21 H new ATOM 0 HG3 ARG A 24 11.485 7.852 -0.840 1.00 64.21 H new ATOM 0 HD2 ARG A 24 13.335 7.098 -2.286 1.00 24.11 H new ATOM 0 HD3 ARG A 24 12.345 5.743 -1.779 1.00 24.11 H new ATOM 0 HE ARG A 24 11.423 5.572 -3.997 1.00 4.43 H new ATOM 0 HH11 ARG A 24 13.955 8.033 -3.686 1.00 72.10 H new ATOM 0 HH12 ARG A 24 14.223 8.132 -5.429 1.00 72.10 H new ATOM 0 HH21 ARG A 24 11.784 5.716 -6.224 1.00 50.20 H new ATOM 0 HH22 ARG A 24 13.002 6.829 -6.856 1.00 50.20 H new ATOM 331 N ASP A 25 7.133 5.743 -0.896 1.00 14.30 N ATOM 332 CA ASP A 25 5.802 6.046 -0.349 1.00 62.41 C ATOM 333 C ASP A 25 5.375 5.021 0.697 1.00 45.15 C ATOM 334 O ASP A 25 4.604 5.333 1.601 1.00 41.33 O ATOM 335 CB ASP A 25 4.752 6.086 -1.474 1.00 50.32 C ATOM 336 CG ASP A 25 4.850 7.335 -2.336 1.00 44.43 C ATOM 337 OD1 ASP A 25 5.644 7.347 -3.300 1.00 41.35 O ATOM 338 OD2 ASP A 25 4.120 8.312 -2.064 1.00 74.41 O ATOM 0 H ASP A 25 7.116 5.200 -1.759 1.00 14.30 H new ATOM 0 HA ASP A 25 5.867 7.023 0.129 1.00 62.41 H new ATOM 0 HB2 ASP A 25 4.871 5.206 -2.105 1.00 50.32 H new ATOM 0 HB3 ASP A 25 3.756 6.032 -1.035 1.00 50.32 H new ATOM 343 N VAL A 26 5.881 3.801 0.585 1.00 33.32 N ATOM 344 CA VAL A 26 5.472 2.716 1.479 1.00 43.25 C ATOM 345 C VAL A 26 6.631 2.279 2.375 1.00 61.51 C ATOM 346 O VAL A 26 6.837 1.090 2.636 1.00 31.11 O ATOM 347 CB VAL A 26 4.909 1.515 0.674 1.00 0.32 C ATOM 348 CG1 VAL A 26 3.650 1.936 -0.093 1.00 13.44 C ATOM 349 CG2 VAL A 26 5.963 0.939 -0.276 1.00 11.55 C ATOM 0 H VAL A 26 6.575 3.533 -0.113 1.00 33.32 H new ATOM 0 HA VAL A 26 4.675 3.093 2.121 1.00 43.25 H new ATOM 0 HB VAL A 26 4.640 0.728 1.378 1.00 0.32 H new ATOM 0 HG11 VAL A 26 3.264 1.085 -0.654 1.00 13.44 H new ATOM 0 HG12 VAL A 26 2.893 2.280 0.612 1.00 13.44 H new ATOM 0 HG13 VAL A 26 3.897 2.743 -0.783 1.00 13.44 H new ATOM 0 HG21 VAL A 26 5.538 0.099 -0.825 1.00 11.55 H new ATOM 0 HG22 VAL A 26 6.279 1.710 -0.979 1.00 11.55 H new ATOM 0 HG23 VAL A 26 6.824 0.598 0.299 1.00 11.55 H new ATOM 359 N VAL A 27 7.361 3.264 2.878 1.00 71.21 N ATOM 360 CA VAL A 27 8.503 3.019 3.746 1.00 2.32 C ATOM 361 C VAL A 27 8.593 4.104 4.814 1.00 33.11 C ATOM 362 O VAL A 27 8.009 5.180 4.669 1.00 4.05 O ATOM 363 CB VAL A 27 9.825 3.001 2.932 1.00 64.10 C ATOM 364 CG1 VAL A 27 10.184 4.402 2.445 1.00 13.21 C ATOM 365 CG2 VAL A 27 10.974 2.415 3.742 1.00 22.01 C ATOM 0 H VAL A 27 7.179 4.251 2.697 1.00 71.21 H new ATOM 0 HA VAL A 27 8.362 2.046 4.217 1.00 2.32 H new ATOM 0 HB VAL A 27 9.663 2.360 2.065 1.00 64.10 H new ATOM 0 HG11 VAL A 27 11.114 4.363 1.878 1.00 13.21 H new ATOM 0 HG12 VAL A 27 9.385 4.781 1.807 1.00 13.21 H new ATOM 0 HG13 VAL A 27 10.310 5.064 3.302 1.00 13.21 H new ATOM 0 HG21 VAL A 27 11.883 2.419 3.140 1.00 22.01 H new ATOM 0 HG22 VAL A 27 11.130 3.015 4.638 1.00 22.01 H new ATOM 0 HG23 VAL A 27 10.732 1.391 4.028 1.00 22.01 H new ATOM 375 N ASP A 28 9.302 3.804 5.894 1.00 45.42 N ATOM 376 CA ASP A 28 9.692 4.809 6.873 1.00 22.40 C ATOM 377 C ASP A 28 11.170 5.131 6.675 1.00 1.22 C ATOM 378 O ASP A 28 12.038 4.470 7.255 1.00 13.13 O ATOM 379 CB ASP A 28 9.448 4.320 8.307 1.00 43.50 C ATOM 380 CG ASP A 28 9.888 5.347 9.347 1.00 45.40 C ATOM 381 OD1 ASP A 28 9.115 6.288 9.620 1.00 24.32 O ATOM 382 OD2 ASP A 28 11.012 5.224 9.884 1.00 4.02 O ATOM 0 H ASP A 28 9.622 2.861 6.115 1.00 45.42 H new ATOM 0 HA ASP A 28 9.085 5.702 6.725 1.00 22.40 H new ATOM 0 HB2 ASP A 28 8.388 4.102 8.440 1.00 43.50 H new ATOM 0 HB3 ASP A 28 9.988 3.387 8.468 1.00 43.50 H new ATOM 387 N PRO A 29 11.479 6.123 5.823 1.00 53.13 N ATOM 388 CA PRO A 29 12.856 6.458 5.474 1.00 62.22 C ATOM 389 C PRO A 29 13.517 7.330 6.537 1.00 43.32 C ATOM 390 O PRO A 29 14.715 7.611 6.468 1.00 74.14 O ATOM 391 CB PRO A 29 12.705 7.200 4.139 1.00 5.13 C ATOM 392 CG PRO A 29 11.348 7.832 4.189 1.00 53.30 C ATOM 393 CD PRO A 29 10.507 7.008 5.142 1.00 24.22 C ATOM 0 HA PRO A 29 13.501 5.582 5.404 1.00 62.22 H new ATOM 0 HB2 PRO A 29 13.485 7.952 4.017 1.00 5.13 H new ATOM 0 HB3 PRO A 29 12.789 6.514 3.296 1.00 5.13 H new ATOM 0 HG2 PRO A 29 11.417 8.865 4.531 1.00 53.30 H new ATOM 0 HG3 PRO A 29 10.896 7.854 3.197 1.00 53.30 H new ATOM 0 HD2 PRO A 29 9.979 7.641 5.855 1.00 24.22 H new ATOM 0 HD3 PRO A 29 9.752 6.432 4.608 1.00 24.22 H new ATOM 401 N GLU A 30 12.726 7.740 7.528 1.00 53.13 N ATOM 402 CA GLU A 30 13.228 8.551 8.630 1.00 41.41 C ATOM 403 C GLU A 30 14.171 7.723 9.502 1.00 31.32 C ATOM 404 O GLU A 30 15.312 8.120 9.755 1.00 52.35 O ATOM 405 CB GLU A 30 12.061 9.091 9.469 1.00 44.42 C ATOM 406 CG GLU A 30 10.996 9.816 8.649 1.00 52.24 C ATOM 407 CD GLU A 30 11.572 10.898 7.747 1.00 11.53 C ATOM 408 OE1 GLU A 30 12.082 11.913 8.270 1.00 10.25 O ATOM 409 OE2 GLU A 30 11.511 10.745 6.511 1.00 14.04 O ATOM 0 H GLU A 30 11.732 7.521 7.588 1.00 53.13 H new ATOM 0 HA GLU A 30 13.780 9.397 8.221 1.00 41.41 H new ATOM 0 HB2 GLU A 30 11.594 8.262 10.001 1.00 44.42 H new ATOM 0 HB3 GLU A 30 12.453 9.774 10.223 1.00 44.42 H new ATOM 0 HG2 GLU A 30 10.459 9.090 8.038 1.00 52.24 H new ATOM 0 HG3 GLU A 30 10.268 10.264 9.325 1.00 52.24 H new ATOM 416 N LEU A 31 13.686 6.570 9.958 1.00 31.10 N ATOM 417 CA LEU A 31 14.493 5.656 10.765 1.00 45.33 C ATOM 418 C LEU A 31 14.992 4.491 9.908 1.00 53.12 C ATOM 419 O LEU A 31 15.913 3.767 10.295 1.00 51.41 O ATOM 420 CB LEU A 31 13.683 5.136 11.959 1.00 52.12 C ATOM 421 CG LEU A 31 13.248 6.202 12.978 1.00 25.40 C ATOM 422 CD1 LEU A 31 12.366 5.582 14.061 1.00 2.25 C ATOM 423 CD2 LEU A 31 14.464 6.882 13.604 1.00 0.33 C ATOM 0 H LEU A 31 12.735 6.245 9.782 1.00 31.10 H new ATOM 0 HA LEU A 31 15.356 6.201 11.147 1.00 45.33 H new ATOM 0 HB2 LEU A 31 12.792 4.635 11.581 1.00 52.12 H new ATOM 0 HB3 LEU A 31 14.276 4.383 12.478 1.00 52.12 H new ATOM 0 HG LEU A 31 12.667 6.959 12.451 1.00 25.40 H new ATOM 0 HD11 LEU A 31 12.068 6.352 14.773 1.00 2.25 H new ATOM 0 HD12 LEU A 31 11.477 5.149 13.602 1.00 2.25 H new ATOM 0 HD13 LEU A 31 12.923 4.803 14.581 1.00 2.25 H new ATOM 0 HD21 LEU A 31 14.132 7.632 14.322 1.00 0.33 H new ATOM 0 HD22 LEU A 31 15.075 6.137 14.114 1.00 0.33 H new ATOM 0 HD23 LEU A 31 15.054 7.362 12.824 1.00 0.33 H new ATOM 435 N GLY A 32 14.367 4.303 8.749 1.00 50.41 N ATOM 436 CA GLY A 32 14.851 3.329 7.781 1.00 34.22 C ATOM 437 C GLY A 32 14.203 1.965 7.929 1.00 3.32 C ATOM 438 O GLY A 32 14.876 0.937 7.820 1.00 51.23 O ATOM 0 H GLY A 32 13.530 4.810 8.460 1.00 50.41 H new ATOM 0 HA2 GLY A 32 14.666 3.704 6.774 1.00 34.22 H new ATOM 0 HA3 GLY A 32 15.931 3.225 7.889 1.00 34.22 H new ATOM 442 N ILE A 33 12.896 1.951 8.183 1.00 1.55 N ATOM 443 CA ILE A 33 12.138 0.699 8.260 1.00 63.25 C ATOM 444 C ILE A 33 11.270 0.565 7.021 1.00 70.23 C ATOM 445 O ILE A 33 10.680 1.538 6.564 1.00 63.41 O ATOM 446 CB ILE A 33 11.213 0.618 9.507 1.00 64.34 C ATOM 447 CG1 ILE A 33 12.007 0.753 10.822 1.00 22.13 C ATOM 448 CG2 ILE A 33 10.412 -0.683 9.506 1.00 21.20 C ATOM 449 CD1 ILE A 33 12.484 2.156 11.120 1.00 62.33 C ATOM 0 H ILE A 33 12.338 2.791 8.339 1.00 1.55 H new ATOM 0 HA ILE A 33 12.870 -0.105 8.335 1.00 63.25 H new ATOM 0 HB ILE A 33 10.522 1.459 9.448 1.00 64.34 H new ATOM 0 HG12 ILE A 33 11.382 0.412 11.647 1.00 22.13 H new ATOM 0 HG13 ILE A 33 12.871 0.089 10.781 1.00 22.13 H new ATOM 0 HG21 ILE A 33 9.772 -0.717 10.388 1.00 21.20 H new ATOM 0 HG22 ILE A 33 9.795 -0.730 8.608 1.00 21.20 H new ATOM 0 HG23 ILE A 33 11.096 -1.531 9.521 1.00 21.20 H new ATOM 0 HD11 ILE A 33 13.033 2.161 12.062 1.00 62.33 H new ATOM 0 HD12 ILE A 33 13.138 2.496 10.317 1.00 62.33 H new ATOM 0 HD13 ILE A 33 11.626 2.824 11.196 1.00 62.33 H new ATOM 461 N ASN A 34 11.180 -0.640 6.491 1.00 70.21 N ATOM 462 CA ASN A 34 10.347 -0.905 5.318 1.00 73.13 C ATOM 463 C ASN A 34 9.205 -1.834 5.717 1.00 55.23 C ATOM 464 O ASN A 34 9.438 -2.916 6.261 1.00 53.21 O ATOM 465 CB ASN A 34 11.151 -1.535 4.155 1.00 43.11 C ATOM 466 CG ASN A 34 12.329 -0.699 3.667 1.00 32.25 C ATOM 467 OD1 ASN A 34 12.549 -0.571 2.462 1.00 32.12 O ATOM 468 ND2 ASN A 34 13.131 -0.177 4.582 1.00 24.33 N ATOM 0 H ASN A 34 11.673 -1.458 6.851 1.00 70.21 H new ATOM 0 HA ASN A 34 9.958 0.049 4.961 1.00 73.13 H new ATOM 0 HB2 ASN A 34 11.522 -2.509 4.474 1.00 43.11 H new ATOM 0 HB3 ASN A 34 10.476 -1.710 3.317 1.00 43.11 H new ATOM 0 HD21 ASN A 34 13.957 0.348 4.296 1.00 24.33 H new ATOM 0 HD22 ASN A 34 12.922 -0.300 5.573 1.00 24.33 H new ATOM 475 N VAL A 35 7.969 -1.412 5.452 1.00 3.11 N ATOM 476 CA VAL A 35 6.792 -2.188 5.844 1.00 1.53 C ATOM 477 C VAL A 35 6.835 -3.589 5.230 1.00 14.40 C ATOM 478 O VAL A 35 6.309 -4.549 5.799 1.00 74.15 O ATOM 479 CB VAL A 35 5.475 -1.479 5.432 1.00 40.44 C ATOM 480 CG1 VAL A 35 5.388 -0.092 6.070 1.00 31.44 C ATOM 481 CG2 VAL A 35 5.350 -1.389 3.910 1.00 22.12 C ATOM 0 H VAL A 35 7.757 -0.539 4.969 1.00 3.11 H new ATOM 0 HA VAL A 35 6.811 -2.271 6.931 1.00 1.53 H new ATOM 0 HB VAL A 35 4.641 -2.077 5.799 1.00 40.44 H new ATOM 0 HG11 VAL A 35 4.457 0.389 5.769 1.00 31.44 H new ATOM 0 HG12 VAL A 35 5.412 -0.189 7.155 1.00 31.44 H new ATOM 0 HG13 VAL A 35 6.232 0.513 5.741 1.00 31.44 H new ATOM 0 HG21 VAL A 35 4.418 -0.888 3.651 1.00 22.12 H new ATOM 0 HG22 VAL A 35 6.190 -0.823 3.509 1.00 22.12 H new ATOM 0 HG23 VAL A 35 5.353 -2.393 3.485 1.00 22.12 H new ATOM 491 N VAL A 36 7.485 -3.696 4.075 1.00 74.53 N ATOM 492 CA VAL A 36 7.604 -4.965 3.367 1.00 74.10 C ATOM 493 C VAL A 36 8.270 -6.026 4.243 1.00 44.45 C ATOM 494 O VAL A 36 7.951 -7.212 4.137 1.00 14.04 O ATOM 495 CB VAL A 36 8.391 -4.800 2.041 1.00 12.15 C ATOM 496 CG1 VAL A 36 9.810 -4.304 2.308 1.00 2.02 C ATOM 497 CG2 VAL A 36 8.402 -6.105 1.242 1.00 22.10 C ATOM 0 H VAL A 36 7.940 -2.912 3.607 1.00 74.53 H new ATOM 0 HA VAL A 36 6.593 -5.297 3.128 1.00 74.10 H new ATOM 0 HB VAL A 36 7.882 -4.048 1.439 1.00 12.15 H new ATOM 0 HG11 VAL A 36 10.342 -4.196 1.363 1.00 2.02 H new ATOM 0 HG12 VAL A 36 9.769 -3.339 2.813 1.00 2.02 H new ATOM 0 HG13 VAL A 36 10.334 -5.022 2.939 1.00 2.02 H new ATOM 0 HG21 VAL A 36 8.961 -5.961 0.317 1.00 22.10 H new ATOM 0 HG22 VAL A 36 8.875 -6.889 1.833 1.00 22.10 H new ATOM 0 HG23 VAL A 36 7.378 -6.396 1.006 1.00 22.10 H new ATOM 507 N ASP A 37 9.162 -5.591 5.136 1.00 60.14 N ATOM 508 CA ASP A 37 9.901 -6.513 6.001 1.00 52.03 C ATOM 509 C ASP A 37 8.961 -7.212 6.979 1.00 43.42 C ATOM 510 O ASP A 37 9.289 -8.271 7.517 1.00 72.25 O ATOM 511 CB ASP A 37 11.005 -5.784 6.782 1.00 51.54 C ATOM 512 CG ASP A 37 12.057 -5.132 5.894 1.00 70.54 C ATOM 513 OD1 ASP A 37 12.218 -3.897 5.969 1.00 23.53 O ATOM 514 OD2 ASP A 37 12.742 -5.853 5.135 1.00 22.42 O ATOM 0 H ASP A 37 9.390 -4.607 5.279 1.00 60.14 H new ATOM 0 HA ASP A 37 10.365 -7.259 5.356 1.00 52.03 H new ATOM 0 HB2 ASP A 37 10.548 -5.019 7.410 1.00 51.54 H new ATOM 0 HB3 ASP A 37 11.495 -6.494 7.449 1.00 51.54 H new ATOM 519 N LEU A 38 7.791 -6.615 7.217 1.00 2.22 N ATOM 520 CA LEU A 38 6.797 -7.206 8.116 1.00 11.03 C ATOM 521 C LEU A 38 6.099 -8.378 7.427 1.00 21.21 C ATOM 522 O LEU A 38 5.449 -9.198 8.072 1.00 62.30 O ATOM 523 CB LEU A 38 5.762 -6.155 8.567 1.00 72.00 C ATOM 524 CG LEU A 38 6.260 -5.116 9.595 1.00 63.22 C ATOM 525 CD1 LEU A 38 6.747 -5.803 10.869 1.00 53.41 C ATOM 526 CD2 LEU A 38 7.357 -4.229 9.006 1.00 72.44 C ATOM 0 H LEU A 38 7.509 -5.727 6.802 1.00 2.22 H new ATOM 0 HA LEU A 38 7.313 -7.571 9.004 1.00 11.03 H new ATOM 0 HB2 LEU A 38 5.405 -5.623 7.685 1.00 72.00 H new ATOM 0 HB3 LEU A 38 4.905 -6.677 8.993 1.00 72.00 H new ATOM 0 HG LEU A 38 5.416 -4.475 9.851 1.00 63.22 H new ATOM 0 HD11 LEU A 38 7.093 -5.051 11.578 1.00 53.41 H new ATOM 0 HD12 LEU A 38 5.929 -6.370 11.312 1.00 53.41 H new ATOM 0 HD13 LEU A 38 7.568 -6.478 10.627 1.00 53.41 H new ATOM 0 HD21 LEU A 38 7.685 -3.509 9.756 1.00 72.44 H new ATOM 0 HD22 LEU A 38 8.202 -4.848 8.703 1.00 72.44 H new ATOM 0 HD23 LEU A 38 6.968 -3.697 8.138 1.00 72.44 H new ATOM 538 N GLY A 39 6.240 -8.432 6.102 1.00 22.32 N ATOM 539 CA GLY A 39 5.692 -9.525 5.315 1.00 3.32 C ATOM 540 C GLY A 39 4.179 -9.651 5.401 1.00 10.03 C ATOM 541 O GLY A 39 3.634 -10.719 5.128 1.00 71.31 O ATOM 0 H GLY A 39 6.732 -7.726 5.554 1.00 22.32 H new ATOM 0 HA2 GLY A 39 5.976 -9.386 4.272 1.00 3.32 H new ATOM 0 HA3 GLY A 39 6.144 -10.460 5.647 1.00 3.32 H new ATOM 545 N LEU A 40 3.492 -8.563 5.753 1.00 32.42 N ATOM 546 CA LEU A 40 2.027 -8.554 5.723 1.00 73.14 C ATOM 547 C LEU A 40 1.545 -7.952 4.412 1.00 34.24 C ATOM 548 O LEU A 40 0.520 -8.360 3.872 1.00 11.34 O ATOM 549 CB LEU A 40 1.441 -7.776 6.913 1.00 10.31 C ATOM 550 CG LEU A 40 -0.101 -7.698 6.946 1.00 54.03 C ATOM 551 CD1 LEU A 40 -0.726 -9.094 6.969 1.00 11.22 C ATOM 552 CD2 LEU A 40 -0.576 -6.887 8.143 1.00 61.35 C ATOM 0 H LEU A 40 3.918 -7.688 6.058 1.00 32.42 H new ATOM 0 HA LEU A 40 1.680 -9.584 5.801 1.00 73.14 H new ATOM 0 HB2 LEU A 40 1.786 -8.240 7.837 1.00 10.31 H new ATOM 0 HB3 LEU A 40 1.841 -6.762 6.897 1.00 10.31 H new ATOM 0 HG LEU A 40 -0.425 -7.196 6.035 1.00 54.03 H new ATOM 0 HD11 LEU A 40 -1.812 -9.006 6.992 1.00 11.22 H new ATOM 0 HD12 LEU A 40 -0.425 -9.642 6.076 1.00 11.22 H new ATOM 0 HD13 LEU A 40 -0.387 -9.630 7.855 1.00 11.22 H new ATOM 0 HD21 LEU A 40 -1.665 -6.846 8.145 1.00 61.35 H new ATOM 0 HD22 LEU A 40 -0.229 -7.358 9.063 1.00 61.35 H new ATOM 0 HD23 LEU A 40 -0.175 -5.876 8.080 1.00 61.35 H new ATOM 564 N VAL A 41 2.325 -7.012 3.880 1.00 63.44 N ATOM 565 CA VAL A 41 2.034 -6.416 2.577 1.00 20.22 C ATOM 566 C VAL A 41 2.220 -7.466 1.481 1.00 10.40 C ATOM 567 O VAL A 41 1.832 -7.270 0.332 1.00 13.13 O ATOM 568 CB VAL A 41 2.944 -5.190 2.296 1.00 62.14 C ATOM 569 CG1 VAL A 41 4.400 -5.615 2.133 1.00 62.14 C ATOM 570 CG2 VAL A 41 2.460 -4.406 1.073 1.00 64.22 C ATOM 0 H VAL A 41 3.164 -6.647 4.331 1.00 63.44 H new ATOM 0 HA VAL A 41 1.001 -6.069 2.584 1.00 20.22 H new ATOM 0 HB VAL A 41 2.882 -4.527 3.159 1.00 62.14 H new ATOM 0 HG11 VAL A 41 5.016 -4.737 1.937 1.00 62.14 H new ATOM 0 HG12 VAL A 41 4.742 -6.101 3.047 1.00 62.14 H new ATOM 0 HG13 VAL A 41 4.485 -6.311 1.298 1.00 62.14 H new ATOM 0 HG21 VAL A 41 3.118 -3.554 0.903 1.00 64.22 H new ATOM 0 HG22 VAL A 41 2.472 -5.054 0.197 1.00 64.22 H new ATOM 0 HG23 VAL A 41 1.444 -4.051 1.247 1.00 64.22 H new ATOM 580 N TYR A 42 2.828 -8.590 1.866 1.00 35.03 N ATOM 581 CA TYR A 42 2.978 -9.741 0.982 1.00 13.34 C ATOM 582 C TYR A 42 1.594 -10.277 0.634 1.00 1.54 C ATOM 583 O TYR A 42 1.381 -10.871 -0.428 1.00 32.53 O ATOM 584 CB TYR A 42 3.824 -10.823 1.674 1.00 73.02 C ATOM 585 CG TYR A 42 4.162 -12.025 0.803 1.00 30.41 C ATOM 586 CD1 TYR A 42 5.245 -11.994 -0.073 1.00 34.03 C ATOM 587 CD2 TYR A 42 3.411 -13.197 0.870 1.00 33.42 C ATOM 588 CE1 TYR A 42 5.568 -13.089 -0.852 1.00 4.23 C ATOM 589 CE2 TYR A 42 3.729 -14.295 0.090 1.00 41.51 C ATOM 590 CZ TYR A 42 4.809 -14.237 -0.769 1.00 51.43 C ATOM 591 OH TYR A 42 5.136 -15.333 -1.544 1.00 44.11 O ATOM 0 H TYR A 42 3.227 -8.725 2.795 1.00 35.03 H new ATOM 0 HA TYR A 42 3.488 -9.446 0.065 1.00 13.34 H new ATOM 0 HB2 TYR A 42 4.753 -10.371 2.021 1.00 73.02 H new ATOM 0 HB3 TYR A 42 3.290 -11.172 2.558 1.00 73.02 H new ATOM 0 HD1 TYR A 42 5.843 -11.098 -0.145 1.00 34.03 H new ATOM 0 HD2 TYR A 42 2.567 -13.249 1.542 1.00 33.42 H new ATOM 0 HE1 TYR A 42 6.413 -13.046 -1.524 1.00 4.23 H new ATOM 0 HE2 TYR A 42 3.135 -15.194 0.153 1.00 41.51 H new ATOM 0 HH TYR A 42 4.503 -16.060 -1.366 1.00 44.11 H new ATOM 601 N GLY A 43 0.657 -10.038 1.553 1.00 24.32 N ATOM 602 CA GLY A 43 -0.735 -10.358 1.331 1.00 2.33 C ATOM 603 C GLY A 43 -1.400 -9.318 0.458 1.00 61.42 C ATOM 604 O GLY A 43 -2.227 -8.525 0.921 1.00 63.22 O ATOM 0 H GLY A 43 0.850 -9.620 2.463 1.00 24.32 H new ATOM 0 HA2 GLY A 43 -0.816 -11.338 0.860 1.00 2.33 H new ATOM 0 HA3 GLY A 43 -1.254 -10.420 2.287 1.00 2.33 H new ATOM 608 N LEU A 44 -0.994 -9.292 -0.801 1.00 21.41 N ATOM 609 CA LEU A 44 -1.607 -8.433 -1.795 1.00 74.25 C ATOM 610 C LEU A 44 -2.278 -9.297 -2.855 1.00 5.23 C ATOM 611 O LEU A 44 -1.744 -10.333 -3.256 1.00 21.21 O ATOM 612 CB LEU A 44 -0.568 -7.464 -2.404 1.00 2.54 C ATOM 613 CG LEU A 44 0.759 -8.086 -2.902 1.00 72.22 C ATOM 614 CD1 LEU A 44 0.604 -8.742 -4.276 1.00 14.31 C ATOM 615 CD2 LEU A 44 1.867 -7.033 -2.939 1.00 73.22 C ATOM 0 H LEU A 44 -0.231 -9.866 -1.160 1.00 21.41 H new ATOM 0 HA LEU A 44 -2.369 -7.812 -1.324 1.00 74.25 H new ATOM 0 HB2 LEU A 44 -1.036 -6.947 -3.242 1.00 2.54 H new ATOM 0 HB3 LEU A 44 -0.329 -6.708 -1.656 1.00 2.54 H new ATOM 0 HG LEU A 44 1.035 -8.867 -2.194 1.00 72.22 H new ATOM 0 HD11 LEU A 44 1.559 -9.165 -4.587 1.00 14.31 H new ATOM 0 HD12 LEU A 44 -0.143 -9.534 -4.219 1.00 14.31 H new ATOM 0 HD13 LEU A 44 0.285 -7.994 -5.002 1.00 14.31 H new ATOM 0 HD21 LEU A 44 2.792 -7.490 -3.292 1.00 73.22 H new ATOM 0 HD22 LEU A 44 1.580 -6.227 -3.614 1.00 73.22 H new ATOM 0 HD23 LEU A 44 2.020 -6.631 -1.938 1.00 73.22 H new ATOM 627 N ASP A 45 -3.460 -8.888 -3.270 1.00 42.10 N ATOM 628 CA ASP A 45 -4.250 -9.638 -4.238 1.00 31.11 C ATOM 629 C ASP A 45 -5.107 -8.675 -5.043 1.00 31.01 C ATOM 630 O ASP A 45 -6.047 -8.077 -4.520 1.00 64.42 O ATOM 631 CB ASP A 45 -5.137 -10.667 -3.521 1.00 21.14 C ATOM 632 CG ASP A 45 -5.968 -11.506 -4.482 1.00 71.11 C ATOM 633 OD1 ASP A 45 -5.452 -12.527 -4.986 1.00 1.31 O ATOM 634 OD2 ASP A 45 -7.146 -11.163 -4.720 1.00 70.04 O ATOM 0 H ASP A 45 -3.904 -8.028 -2.949 1.00 42.10 H new ATOM 0 HA ASP A 45 -3.580 -10.173 -4.911 1.00 31.11 H new ATOM 0 HB2 ASP A 45 -4.509 -11.326 -2.922 1.00 21.14 H new ATOM 0 HB3 ASP A 45 -5.803 -10.148 -2.832 1.00 21.14 H new ATOM 639 N VAL A 46 -4.762 -8.495 -6.302 1.00 13.12 N ATOM 640 CA VAL A 46 -5.490 -7.580 -7.160 1.00 53.02 C ATOM 641 C VAL A 46 -6.637 -8.319 -7.840 1.00 62.44 C ATOM 642 O VAL A 46 -6.411 -9.229 -8.644 1.00 35.31 O ATOM 643 CB VAL A 46 -4.567 -6.950 -8.230 1.00 14.40 C ATOM 644 CG1 VAL A 46 -5.327 -5.926 -9.067 1.00 21.44 C ATOM 645 CG2 VAL A 46 -3.335 -6.321 -7.581 1.00 35.15 C ATOM 0 H VAL A 46 -3.981 -8.970 -6.755 1.00 13.12 H new ATOM 0 HA VAL A 46 -5.883 -6.775 -6.539 1.00 53.02 H new ATOM 0 HB VAL A 46 -4.228 -7.743 -8.896 1.00 14.40 H new ATOM 0 HG11 VAL A 46 -4.658 -5.497 -9.812 1.00 21.44 H new ATOM 0 HG12 VAL A 46 -6.163 -6.414 -9.568 1.00 21.44 H new ATOM 0 HG13 VAL A 46 -5.704 -5.135 -8.419 1.00 21.44 H new ATOM 0 HG21 VAL A 46 -2.700 -5.884 -8.352 1.00 35.15 H new ATOM 0 HG22 VAL A 46 -3.648 -5.543 -6.885 1.00 35.15 H new ATOM 0 HG23 VAL A 46 -2.777 -7.087 -7.042 1.00 35.15 H new ATOM 655 N GLN A 47 -7.859 -7.933 -7.507 1.00 34.21 N ATOM 656 CA GLN A 47 -9.045 -8.590 -8.038 1.00 52.14 C ATOM 657 C GLN A 47 -9.601 -7.819 -9.222 1.00 52.24 C ATOM 658 O GLN A 47 -9.759 -6.596 -9.169 1.00 12.23 O ATOM 659 CB GLN A 47 -10.118 -8.716 -6.957 1.00 32.23 C ATOM 660 CG GLN A 47 -11.418 -9.361 -7.438 1.00 54.51 C ATOM 661 CD GLN A 47 -12.505 -9.402 -6.370 1.00 64.44 C ATOM 662 OE1 GLN A 47 -13.338 -10.308 -6.351 1.00 43.01 O ATOM 663 NE2 GLN A 47 -12.517 -8.419 -5.481 1.00 52.22 N ATOM 0 H GLN A 47 -8.057 -7.163 -6.868 1.00 34.21 H new ATOM 0 HA GLN A 47 -8.756 -9.587 -8.370 1.00 52.14 H new ATOM 0 HB2 GLN A 47 -9.718 -9.303 -6.130 1.00 32.23 H new ATOM 0 HB3 GLN A 47 -10.341 -7.724 -6.565 1.00 32.23 H new ATOM 0 HG2 GLN A 47 -11.789 -8.811 -8.303 1.00 54.51 H new ATOM 0 HG3 GLN A 47 -11.209 -10.377 -7.772 1.00 54.51 H new ATOM 0 HE21 GLN A 47 -11.812 -7.683 -5.525 1.00 52.22 H new ATOM 0 HE22 GLN A 47 -13.231 -8.398 -4.753 1.00 52.22 H new ATOM 672 N ASP A 48 -9.905 -8.545 -10.281 1.00 11.30 N ATOM 673 CA ASP A 48 -10.492 -7.962 -11.486 1.00 34.41 C ATOM 674 C ASP A 48 -12.000 -7.864 -11.303 1.00 44.43 C ATOM 675 O ASP A 48 -12.771 -8.585 -11.941 1.00 5.52 O ATOM 676 CB ASP A 48 -10.149 -8.793 -12.735 1.00 2.32 C ATOM 677 CG ASP A 48 -8.658 -8.830 -13.024 1.00 61.22 C ATOM 678 OD1 ASP A 48 -7.964 -9.715 -12.478 1.00 14.34 O ATOM 679 OD2 ASP A 48 -8.171 -7.987 -13.804 1.00 20.12 O ATOM 0 H ASP A 48 -9.755 -9.552 -10.337 1.00 11.30 H new ATOM 0 HA ASP A 48 -10.075 -6.966 -11.637 1.00 34.41 H new ATOM 0 HB2 ASP A 48 -10.514 -9.811 -12.600 1.00 2.32 H new ATOM 0 HB3 ASP A 48 -10.672 -8.378 -13.597 1.00 2.32 H new ATOM 684 N GLY A 49 -12.407 -6.979 -10.403 1.00 51.22 N ATOM 685 CA GLY A 49 -13.802 -6.871 -10.035 1.00 54.30 C ATOM 686 C GLY A 49 -14.655 -6.264 -11.131 1.00 23.13 C ATOM 687 O GLY A 49 -14.136 -5.664 -12.078 1.00 35.50 O ATOM 0 H GLY A 49 -11.788 -6.329 -9.918 1.00 51.22 H new ATOM 0 HA2 GLY A 49 -14.186 -7.861 -9.789 1.00 54.30 H new ATOM 0 HA3 GLY A 49 -13.889 -6.263 -9.135 1.00 54.30 H new ATOM 691 N ASP A 50 -15.964 -6.423 -10.995 1.00 50.34 N ATOM 692 CA ASP A 50 -16.930 -5.837 -11.921 1.00 32.24 C ATOM 693 C ASP A 50 -16.845 -4.313 -11.886 1.00 62.54 C ATOM 694 O ASP A 50 -17.157 -3.639 -12.869 1.00 62.33 O ATOM 695 CB ASP A 50 -18.347 -6.309 -11.559 1.00 75.10 C ATOM 696 CG ASP A 50 -19.433 -5.679 -12.420 1.00 50.40 C ATOM 697 OD1 ASP A 50 -20.218 -4.859 -11.896 1.00 22.30 O ATOM 698 OD2 ASP A 50 -19.518 -6.006 -13.623 1.00 71.25 O ATOM 0 H ASP A 50 -16.389 -6.962 -10.240 1.00 50.34 H new ATOM 0 HA ASP A 50 -16.697 -6.166 -12.934 1.00 32.24 H new ATOM 0 HB2 ASP A 50 -18.397 -7.393 -11.659 1.00 75.10 H new ATOM 0 HB3 ASP A 50 -18.543 -6.076 -10.512 1.00 75.10 H new ATOM 703 N GLU A 51 -16.409 -3.774 -10.748 1.00 62.52 N ATOM 704 CA GLU A 51 -16.230 -2.330 -10.593 1.00 22.53 C ATOM 705 C GLU A 51 -14.893 -1.873 -11.180 1.00 21.31 C ATOM 706 O GLU A 51 -14.622 -0.674 -11.267 1.00 1.52 O ATOM 707 CB GLU A 51 -16.320 -1.932 -9.114 1.00 14.21 C ATOM 708 CG GLU A 51 -17.671 -2.230 -8.474 1.00 24.34 C ATOM 709 CD GLU A 51 -18.825 -1.535 -9.183 1.00 53.40 C ATOM 710 OE1 GLU A 51 -19.424 -2.140 -10.097 1.00 72.02 O ATOM 711 OE2 GLU A 51 -19.142 -0.383 -8.831 1.00 5.31 O ATOM 0 H GLU A 51 -16.173 -4.317 -9.918 1.00 62.52 H new ATOM 0 HA GLU A 51 -17.031 -1.834 -11.141 1.00 22.53 H new ATOM 0 HB2 GLU A 51 -15.543 -2.457 -8.559 1.00 14.21 H new ATOM 0 HB3 GLU A 51 -16.113 -0.866 -9.022 1.00 14.21 H new ATOM 0 HG2 GLU A 51 -17.842 -3.307 -8.481 1.00 24.34 H new ATOM 0 HG3 GLU A 51 -17.650 -1.917 -7.430 1.00 24.34 H new ATOM 718 N GLY A 52 -14.065 -2.835 -11.579 1.00 54.34 N ATOM 719 CA GLY A 52 -12.754 -2.536 -12.139 1.00 11.33 C ATOM 720 C GLY A 52 -11.645 -3.285 -11.422 1.00 44.23 C ATOM 721 O GLY A 52 -11.901 -4.004 -10.452 1.00 52.15 O ATOM 0 H GLY A 52 -14.281 -3.830 -11.524 1.00 54.34 H new ATOM 0 HA2 GLY A 52 -12.743 -2.798 -13.197 1.00 11.33 H new ATOM 0 HA3 GLY A 52 -12.568 -1.464 -12.074 1.00 11.33 H new ATOM 725 N THR A 53 -10.414 -3.125 -11.898 1.00 34.51 N ATOM 726 CA THR A 53 -9.263 -3.779 -11.292 1.00 32.53 C ATOM 727 C THR A 53 -8.924 -3.117 -9.951 1.00 63.31 C ATOM 728 O THR A 53 -8.467 -1.972 -9.914 1.00 70.12 O ATOM 729 CB THR A 53 -8.033 -3.701 -12.230 1.00 41.21 C ATOM 730 OG1 THR A 53 -8.412 -4.042 -13.571 1.00 11.11 O ATOM 731 CG2 THR A 53 -6.925 -4.636 -11.771 1.00 71.23 C ATOM 0 H THR A 53 -10.189 -2.545 -12.706 1.00 34.51 H new ATOM 0 HA THR A 53 -9.516 -4.826 -11.126 1.00 32.53 H new ATOM 0 HB THR A 53 -7.659 -2.678 -12.199 1.00 41.21 H new ATOM 0 HG1 THR A 53 -7.628 -3.988 -14.156 1.00 11.11 H new ATOM 0 HG21 THR A 53 -6.077 -4.557 -12.451 1.00 71.23 H new ATOM 0 HG22 THR A 53 -6.610 -4.361 -10.765 1.00 71.23 H new ATOM 0 HG23 THR A 53 -7.293 -5.662 -11.768 1.00 71.23 H new ATOM 739 N VAL A 54 -9.160 -3.832 -8.853 1.00 40.22 N ATOM 740 CA VAL A 54 -8.920 -3.298 -7.516 1.00 25.41 C ATOM 741 C VAL A 54 -7.807 -4.080 -6.812 1.00 44.11 C ATOM 742 O VAL A 54 -7.871 -5.305 -6.698 1.00 54.31 O ATOM 743 CB VAL A 54 -10.214 -3.315 -6.657 1.00 21.22 C ATOM 744 CG1 VAL A 54 -10.785 -4.729 -6.541 1.00 13.05 C ATOM 745 CG2 VAL A 54 -9.960 -2.709 -5.277 1.00 43.31 C ATOM 0 H VAL A 54 -9.519 -4.787 -8.864 1.00 40.22 H new ATOM 0 HA VAL A 54 -8.604 -2.261 -7.629 1.00 25.41 H new ATOM 0 HB VAL A 54 -10.958 -2.700 -7.163 1.00 21.22 H new ATOM 0 HG11 VAL A 54 -11.690 -4.707 -5.934 1.00 13.05 H new ATOM 0 HG12 VAL A 54 -11.024 -5.108 -7.535 1.00 13.05 H new ATOM 0 HG13 VAL A 54 -10.049 -5.381 -6.071 1.00 13.05 H new ATOM 0 HG21 VAL A 54 -10.881 -2.732 -4.694 1.00 43.31 H new ATOM 0 HG22 VAL A 54 -9.191 -3.285 -4.763 1.00 43.31 H new ATOM 0 HG23 VAL A 54 -9.627 -1.677 -5.388 1.00 43.31 H new ATOM 755 N ALA A 55 -6.778 -3.367 -6.365 1.00 33.55 N ATOM 756 CA ALA A 55 -5.644 -3.983 -5.678 1.00 13.42 C ATOM 757 C ALA A 55 -5.923 -4.105 -4.178 1.00 12.43 C ATOM 758 O ALA A 55 -5.925 -3.101 -3.458 1.00 34.23 O ATOM 759 CB ALA A 55 -4.376 -3.164 -5.910 1.00 11.52 C ATOM 0 H ALA A 55 -6.705 -2.355 -6.467 1.00 33.55 H new ATOM 0 HA ALA A 55 -5.499 -4.983 -6.086 1.00 13.42 H new ATOM 0 HB1 ALA A 55 -3.540 -3.634 -5.393 1.00 11.52 H new ATOM 0 HB2 ALA A 55 -4.163 -3.118 -6.978 1.00 11.52 H new ATOM 0 HB3 ALA A 55 -4.519 -2.154 -5.525 1.00 11.52 H new ATOM 765 N LEU A 56 -6.170 -5.328 -3.715 1.00 12.22 N ATOM 766 CA LEU A 56 -6.434 -5.583 -2.301 1.00 41.34 C ATOM 767 C LEU A 56 -5.115 -5.812 -1.561 1.00 62.32 C ATOM 768 O LEU A 56 -4.495 -6.862 -1.704 1.00 52.23 O ATOM 769 CB LEU A 56 -7.341 -6.817 -2.143 1.00 4.42 C ATOM 770 CG LEU A 56 -8.595 -6.846 -3.038 1.00 53.21 C ATOM 771 CD1 LEU A 56 -9.335 -8.177 -2.892 1.00 23.31 C ATOM 772 CD2 LEU A 56 -9.518 -5.675 -2.713 1.00 64.34 C ATOM 0 H LEU A 56 -6.193 -6.162 -4.302 1.00 12.22 H new ATOM 0 HA LEU A 56 -6.940 -4.717 -1.875 1.00 41.34 H new ATOM 0 HB2 LEU A 56 -6.749 -7.709 -2.350 1.00 4.42 H new ATOM 0 HB3 LEU A 56 -7.659 -6.880 -1.102 1.00 4.42 H new ATOM 0 HG LEU A 56 -8.275 -6.748 -4.075 1.00 53.21 H new ATOM 0 HD11 LEU A 56 -10.217 -8.175 -3.533 1.00 23.31 H new ATOM 0 HD12 LEU A 56 -8.675 -8.994 -3.185 1.00 23.31 H new ATOM 0 HD13 LEU A 56 -9.641 -8.311 -1.854 1.00 23.31 H new ATOM 0 HD21 LEU A 56 -10.397 -5.715 -3.357 1.00 64.34 H new ATOM 0 HD22 LEU A 56 -9.829 -5.735 -1.670 1.00 64.34 H new ATOM 0 HD23 LEU A 56 -8.988 -4.737 -2.880 1.00 64.34 H new ATOM 784 N ILE A 57 -4.681 -4.820 -0.792 1.00 41.20 N ATOM 785 CA ILE A 57 -3.427 -4.904 -0.042 1.00 11.14 C ATOM 786 C ILE A 57 -3.711 -4.969 1.458 1.00 15.44 C ATOM 787 O ILE A 57 -4.403 -4.100 2.002 1.00 50.11 O ATOM 788 CB ILE A 57 -2.514 -3.685 -0.336 1.00 10.24 C ATOM 789 CG1 ILE A 57 -2.239 -3.571 -1.845 1.00 2.54 C ATOM 790 CG2 ILE A 57 -1.204 -3.789 0.449 1.00 15.31 C ATOM 791 CD1 ILE A 57 -1.400 -2.367 -2.226 1.00 20.12 C ATOM 0 H ILE A 57 -5.182 -3.940 -0.669 1.00 41.20 H new ATOM 0 HA ILE A 57 -2.913 -5.811 -0.359 1.00 11.14 H new ATOM 0 HB ILE A 57 -3.031 -2.781 -0.013 1.00 10.24 H new ATOM 0 HG12 ILE A 57 -1.733 -4.476 -2.182 1.00 2.54 H new ATOM 0 HG13 ILE A 57 -3.190 -3.522 -2.375 1.00 2.54 H new ATOM 0 HG21 ILE A 57 -0.578 -2.924 0.229 1.00 15.31 H new ATOM 0 HG22 ILE A 57 -1.421 -3.817 1.517 1.00 15.31 H new ATOM 0 HG23 ILE A 57 -0.679 -4.700 0.161 1.00 15.31 H new ATOM 0 HD11 ILE A 57 -1.249 -2.356 -3.305 1.00 20.12 H new ATOM 0 HD12 ILE A 57 -1.913 -1.455 -1.922 1.00 20.12 H new ATOM 0 HD13 ILE A 57 -0.434 -2.424 -1.725 1.00 20.12 H new ATOM 803 N ASP A 58 -3.202 -6.007 2.119 1.00 24.15 N ATOM 804 CA ASP A 58 -3.369 -6.153 3.567 1.00 52.34 C ATOM 805 C ASP A 58 -2.229 -5.472 4.332 1.00 4.43 C ATOM 806 O ASP A 58 -1.050 -5.703 4.058 1.00 2.13 O ATOM 807 CB ASP A 58 -3.473 -7.638 3.953 1.00 21.34 C ATOM 808 CG ASP A 58 -4.869 -8.198 3.698 1.00 43.53 C ATOM 809 OD1 ASP A 58 -5.078 -8.905 2.688 1.00 34.24 O ATOM 810 OD2 ASP A 58 -5.779 -7.910 4.500 1.00 55.35 O ATOM 0 H ASP A 58 -2.672 -6.758 1.678 1.00 24.15 H new ATOM 0 HA ASP A 58 -4.298 -5.657 3.847 1.00 52.34 H new ATOM 0 HB2 ASP A 58 -2.742 -8.213 3.384 1.00 21.34 H new ATOM 0 HB3 ASP A 58 -3.221 -7.757 5.007 1.00 21.34 H new ATOM 815 N MET A 59 -2.603 -4.625 5.292 1.00 21.21 N ATOM 816 CA MET A 59 -1.654 -3.847 6.093 1.00 64.41 C ATOM 817 C MET A 59 -2.117 -3.766 7.550 1.00 32.45 C ATOM 818 O MET A 59 -3.227 -4.184 7.885 1.00 44.25 O ATOM 819 CB MET A 59 -1.492 -2.425 5.533 1.00 2.23 C ATOM 820 CG MET A 59 -0.826 -2.355 4.165 1.00 14.50 C ATOM 821 SD MET A 59 -0.581 -0.655 3.606 1.00 62.00 S ATOM 822 CE MET A 59 0.422 0.006 4.938 1.00 35.01 C ATOM 0 H MET A 59 -3.579 -4.458 5.538 1.00 21.21 H new ATOM 0 HA MET A 59 -0.692 -4.357 6.047 1.00 64.41 H new ATOM 0 HB2 MET A 59 -2.476 -1.960 5.468 1.00 2.23 H new ATOM 0 HB3 MET A 59 -0.907 -1.835 6.238 1.00 2.23 H new ATOM 0 HG2 MET A 59 0.137 -2.864 4.206 1.00 14.50 H new ATOM 0 HG3 MET A 59 -1.438 -2.889 3.438 1.00 14.50 H new ATOM 0 HE1 MET A 59 0.998 0.856 4.572 1.00 35.01 H new ATOM 0 HE2 MET A 59 -0.224 0.330 5.754 1.00 35.01 H new ATOM 0 HE3 MET A 59 1.102 -0.766 5.299 1.00 35.01 H new ATOM 832 N THR A 60 -1.253 -3.244 8.415 1.00 60.43 N ATOM 833 CA THR A 60 -1.590 -3.037 9.819 1.00 11.13 C ATOM 834 C THR A 60 -0.904 -1.773 10.339 1.00 22.41 C ATOM 835 O THR A 60 -0.075 -1.177 9.643 1.00 21.05 O ATOM 836 CB THR A 60 -1.179 -4.253 10.689 1.00 41.12 C ATOM 837 OG1 THR A 60 -1.685 -4.098 12.024 1.00 34.12 O ATOM 838 CG2 THR A 60 0.338 -4.410 10.736 1.00 74.45 C ATOM 0 H THR A 60 -0.307 -2.955 8.165 1.00 60.43 H new ATOM 0 HA THR A 60 -2.672 -2.923 9.889 1.00 11.13 H new ATOM 0 HB THR A 60 -1.606 -5.148 10.236 1.00 41.12 H new ATOM 0 HG1 THR A 60 -2.505 -4.625 12.126 1.00 34.12 H new ATOM 0 HG21 THR A 60 0.596 -5.271 11.353 1.00 74.45 H new ATOM 0 HG22 THR A 60 0.720 -4.560 9.726 1.00 74.45 H new ATOM 0 HG23 THR A 60 0.784 -3.511 11.162 1.00 74.45 H new ATOM 846 N LEU A 61 -1.262 -1.366 11.555 1.00 72.42 N ATOM 847 CA LEU A 61 -0.672 -0.190 12.193 1.00 11.30 C ATOM 848 C LEU A 61 -0.018 -0.600 13.510 1.00 12.20 C ATOM 849 O LEU A 61 -0.258 -1.698 14.012 1.00 32.34 O ATOM 850 CB LEU A 61 -1.726 0.908 12.452 1.00 73.23 C ATOM 851 CG LEU A 61 -2.451 1.483 11.211 1.00 62.13 C ATOM 852 CD1 LEU A 61 -1.456 1.886 10.121 1.00 31.52 C ATOM 853 CD2 LEU A 61 -3.494 0.502 10.669 1.00 50.41 C ATOM 0 H LEU A 61 -1.965 -1.838 12.123 1.00 72.42 H new ATOM 0 HA LEU A 61 0.077 0.222 11.516 1.00 11.30 H new ATOM 0 HB2 LEU A 61 -2.479 0.504 13.129 1.00 73.23 H new ATOM 0 HB3 LEU A 61 -1.238 1.732 12.973 1.00 73.23 H new ATOM 0 HG LEU A 61 -2.977 2.383 11.529 1.00 62.13 H new ATOM 0 HD11 LEU A 61 -1.998 2.286 9.264 1.00 31.52 H new ATOM 0 HD12 LEU A 61 -0.779 2.647 10.510 1.00 31.52 H new ATOM 0 HD13 LEU A 61 -0.881 1.013 9.812 1.00 31.52 H new ATOM 0 HD21 LEU A 61 -3.984 0.937 9.798 1.00 50.41 H new ATOM 0 HD22 LEU A 61 -3.004 -0.429 10.383 1.00 50.41 H new ATOM 0 HD23 LEU A 61 -4.237 0.298 11.440 1.00 50.41 H new ATOM 865 N THR A 62 0.793 0.292 14.072 1.00 72.22 N ATOM 866 CA THR A 62 1.544 0.000 15.289 1.00 21.20 C ATOM 867 C THR A 62 0.619 -0.293 16.478 1.00 4.40 C ATOM 868 O THR A 62 0.650 -1.388 17.051 1.00 74.41 O ATOM 869 CB THR A 62 2.476 1.182 15.636 1.00 22.02 C ATOM 870 OG1 THR A 62 1.713 2.400 15.660 1.00 74.45 O ATOM 871 CG2 THR A 62 3.608 1.309 14.621 1.00 54.55 C ATOM 0 H THR A 62 0.947 1.229 13.701 1.00 72.22 H new ATOM 0 HA THR A 62 2.137 -0.894 15.098 1.00 21.20 H new ATOM 0 HB THR A 62 2.916 0.996 16.616 1.00 22.02 H new ATOM 0 HG1 THR A 62 2.302 3.151 15.882 1.00 74.45 H new ATOM 0 HG21 THR A 62 4.247 2.149 14.892 1.00 54.55 H new ATOM 0 HG22 THR A 62 4.197 0.392 14.616 1.00 54.55 H new ATOM 0 HG23 THR A 62 3.190 1.476 13.628 1.00 54.55 H new ATOM 879 N SER A 63 -0.214 0.684 16.833 1.00 3.35 N ATOM 880 CA SER A 63 -1.131 0.551 17.967 1.00 12.43 C ATOM 881 C SER A 63 -2.584 0.556 17.492 1.00 62.02 C ATOM 882 O SER A 63 -3.506 0.319 18.277 1.00 14.22 O ATOM 883 CB SER A 63 -0.895 1.694 18.968 1.00 11.13 C ATOM 884 OG SER A 63 -1.765 1.598 20.084 1.00 21.34 O ATOM 0 H SER A 63 -0.274 1.580 16.350 1.00 3.35 H new ATOM 0 HA SER A 63 -0.937 -0.401 18.461 1.00 12.43 H new ATOM 0 HB2 SER A 63 0.140 1.672 19.310 1.00 11.13 H new ATOM 0 HB3 SER A 63 -1.045 2.652 18.470 1.00 11.13 H new ATOM 0 HG SER A 63 -2.634 1.253 19.792 1.00 21.34 H new ATOM 890 N ALA A 64 -2.775 0.843 16.202 1.00 74.32 N ATOM 891 CA ALA A 64 -4.109 0.904 15.593 1.00 34.02 C ATOM 892 C ALA A 64 -4.958 2.034 16.187 1.00 41.20 C ATOM 893 O ALA A 64 -6.152 2.133 15.905 1.00 73.12 O ATOM 894 CB ALA A 64 -4.825 -0.436 15.738 1.00 33.13 C ATOM 0 H ALA A 64 -2.014 1.039 15.552 1.00 74.32 H new ATOM 0 HA ALA A 64 -3.974 1.120 14.533 1.00 34.02 H new ATOM 0 HB1 ALA A 64 -5.812 -0.372 15.281 1.00 33.13 H new ATOM 0 HB2 ALA A 64 -4.245 -1.214 15.242 1.00 33.13 H new ATOM 0 HB3 ALA A 64 -4.930 -0.680 16.795 1.00 33.13 H new ATOM 900 N ALA A 65 -4.331 2.883 17.000 1.00 45.13 N ATOM 901 CA ALA A 65 -5.007 4.032 17.602 1.00 24.32 C ATOM 902 C ALA A 65 -4.621 5.314 16.870 1.00 15.05 C ATOM 903 O ALA A 65 -5.368 6.295 16.866 1.00 31.32 O ATOM 904 CB ALA A 65 -4.654 4.135 19.082 1.00 54.33 C ATOM 0 H ALA A 65 -3.348 2.796 17.259 1.00 45.13 H new ATOM 0 HA ALA A 65 -6.084 3.893 17.512 1.00 24.32 H new ATOM 0 HB1 ALA A 65 -5.163 4.994 19.519 1.00 54.33 H new ATOM 0 HB2 ALA A 65 -4.969 3.227 19.595 1.00 54.33 H new ATOM 0 HB3 ALA A 65 -3.576 4.258 19.191 1.00 54.33 H new ATOM 910 N CYS A 66 -3.445 5.291 16.254 1.00 35.33 N ATOM 911 CA CYS A 66 -2.923 6.437 15.525 1.00 34.21 C ATOM 912 C CYS A 66 -3.579 6.534 14.145 1.00 0.42 C ATOM 913 O CYS A 66 -3.759 5.515 13.467 1.00 31.52 O ATOM 914 CB CYS A 66 -1.403 6.305 15.381 1.00 35.20 C ATOM 915 SG CYS A 66 -0.552 5.930 16.932 1.00 34.52 S ATOM 0 H CYS A 66 -2.829 4.478 16.247 1.00 35.33 H new ATOM 0 HA CYS A 66 -3.153 7.347 16.080 1.00 34.21 H new ATOM 0 HB2 CYS A 66 -1.183 5.520 14.658 1.00 35.20 H new ATOM 0 HB3 CYS A 66 -1.004 7.234 14.974 1.00 35.20 H new ATOM 0 HG CYS A 66 0.726 5.835 16.714 1.00 34.52 H new ATOM 921 N PRO A 67 -3.943 7.756 13.707 1.00 35.24 N ATOM 922 CA PRO A 67 -4.572 7.979 12.399 1.00 55.40 C ATOM 923 C PRO A 67 -3.563 7.894 11.244 1.00 3.11 C ATOM 924 O PRO A 67 -3.512 8.770 10.382 1.00 74.30 O ATOM 925 CB PRO A 67 -5.137 9.399 12.529 1.00 52.53 C ATOM 926 CG PRO A 67 -4.215 10.079 13.482 1.00 1.45 C ATOM 927 CD PRO A 67 -3.779 9.019 14.462 1.00 62.55 C ATOM 0 HA PRO A 67 -5.324 7.225 12.165 1.00 55.40 H new ATOM 0 HB2 PRO A 67 -5.158 9.908 11.565 1.00 52.53 H new ATOM 0 HB3 PRO A 67 -6.160 9.387 12.906 1.00 52.53 H new ATOM 0 HG2 PRO A 67 -3.358 10.505 12.960 1.00 1.45 H new ATOM 0 HG3 PRO A 67 -4.717 10.900 13.993 1.00 1.45 H new ATOM 0 HD2 PRO A 67 -2.746 9.166 14.778 1.00 62.55 H new ATOM 0 HD3 PRO A 67 -4.392 9.030 15.363 1.00 62.55 H new ATOM 935 N LEU A 68 -2.782 6.816 11.219 1.00 53.32 N ATOM 936 CA LEU A 68 -1.791 6.601 10.166 1.00 53.00 C ATOM 937 C LEU A 68 -2.462 6.099 8.888 1.00 33.04 C ATOM 938 O LEU A 68 -1.830 6.024 7.829 1.00 61.31 O ATOM 939 CB LEU A 68 -0.732 5.589 10.631 1.00 60.13 C ATOM 940 CG LEU A 68 0.060 5.998 11.887 1.00 31.42 C ATOM 941 CD1 LEU A 68 1.023 4.888 12.305 1.00 71.13 C ATOM 942 CD2 LEU A 68 0.817 7.306 11.651 1.00 62.14 C ATOM 0 H LEU A 68 -2.817 6.075 11.919 1.00 53.32 H new ATOM 0 HA LEU A 68 -1.306 7.554 9.954 1.00 53.00 H new ATOM 0 HB2 LEU A 68 -1.224 4.636 10.826 1.00 60.13 H new ATOM 0 HB3 LEU A 68 -0.028 5.423 9.815 1.00 60.13 H new ATOM 0 HG LEU A 68 -0.651 6.157 12.697 1.00 31.42 H new ATOM 0 HD11 LEU A 68 1.572 5.198 13.194 1.00 71.13 H new ATOM 0 HD12 LEU A 68 0.460 3.981 12.525 1.00 71.13 H new ATOM 0 HD13 LEU A 68 1.725 4.692 11.495 1.00 71.13 H new ATOM 0 HD21 LEU A 68 1.369 7.575 12.552 1.00 62.14 H new ATOM 0 HD22 LEU A 68 1.514 7.179 10.823 1.00 62.14 H new ATOM 0 HD23 LEU A 68 0.108 8.098 11.410 1.00 62.14 H new ATOM 954 N THR A 69 -3.749 5.763 8.996 1.00 11.31 N ATOM 955 CA THR A 69 -4.499 5.228 7.866 1.00 4.41 C ATOM 956 C THR A 69 -4.527 6.229 6.708 1.00 34.53 C ATOM 957 O THR A 69 -4.309 5.857 5.557 1.00 33.23 O ATOM 958 CB THR A 69 -5.941 4.831 8.272 1.00 42.20 C ATOM 959 OG1 THR A 69 -6.594 4.171 7.183 1.00 35.40 O ATOM 960 CG2 THR A 69 -6.765 6.042 8.711 1.00 12.20 C ATOM 0 H THR A 69 -4.290 5.853 9.856 1.00 11.31 H new ATOM 0 HA THR A 69 -3.986 4.325 7.535 1.00 4.41 H new ATOM 0 HB THR A 69 -5.866 4.153 9.122 1.00 42.20 H new ATOM 0 HG1 THR A 69 -6.560 3.201 7.320 1.00 35.40 H new ATOM 0 HG21 THR A 69 -7.769 5.719 8.987 1.00 12.20 H new ATOM 0 HG22 THR A 69 -6.288 6.515 9.569 1.00 12.20 H new ATOM 0 HG23 THR A 69 -6.827 6.757 7.890 1.00 12.20 H new ATOM 968 N ASP A 70 -4.755 7.504 7.029 1.00 34.13 N ATOM 969 CA ASP A 70 -4.790 8.561 6.019 1.00 14.45 C ATOM 970 C ASP A 70 -3.479 8.584 5.246 1.00 75.11 C ATOM 971 O ASP A 70 -3.459 8.713 4.018 1.00 51.11 O ATOM 972 CB ASP A 70 -5.015 9.931 6.673 1.00 41.03 C ATOM 973 CG ASP A 70 -6.236 9.968 7.575 1.00 45.52 C ATOM 974 OD1 ASP A 70 -7.314 10.390 7.110 1.00 25.24 O ATOM 975 OD2 ASP A 70 -6.118 9.583 8.759 1.00 13.34 O ATOM 0 H ASP A 70 -4.918 7.829 7.982 1.00 34.13 H new ATOM 0 HA ASP A 70 -5.616 8.354 5.338 1.00 14.45 H new ATOM 0 HB2 ASP A 70 -4.133 10.198 7.255 1.00 41.03 H new ATOM 0 HB3 ASP A 70 -5.124 10.685 5.894 1.00 41.03 H new ATOM 980 N VAL A 71 -2.385 8.435 5.991 1.00 30.32 N ATOM 981 CA VAL A 71 -1.043 8.487 5.426 1.00 13.23 C ATOM 982 C VAL A 71 -0.815 7.316 4.474 1.00 42.44 C ATOM 983 O VAL A 71 -0.428 7.509 3.320 1.00 52.24 O ATOM 984 CB VAL A 71 0.039 8.472 6.540 1.00 15.45 C ATOM 985 CG1 VAL A 71 1.442 8.587 5.944 1.00 62.52 C ATOM 986 CG2 VAL A 71 -0.212 9.583 7.562 1.00 1.22 C ATOM 0 H VAL A 71 -2.406 8.276 6.998 1.00 30.32 H new ATOM 0 HA VAL A 71 -0.957 9.422 4.872 1.00 13.23 H new ATOM 0 HB VAL A 71 -0.028 7.515 7.058 1.00 15.45 H new ATOM 0 HG11 VAL A 71 2.180 8.574 6.746 1.00 62.52 H new ATOM 0 HG12 VAL A 71 1.622 7.748 5.272 1.00 62.52 H new ATOM 0 HG13 VAL A 71 1.526 9.521 5.389 1.00 62.52 H new ATOM 0 HG21 VAL A 71 0.559 9.551 8.331 1.00 1.22 H new ATOM 0 HG22 VAL A 71 -0.185 10.551 7.061 1.00 1.22 H new ATOM 0 HG23 VAL A 71 -1.190 9.440 8.022 1.00 1.22 H new ATOM 996 N ILE A 72 -1.076 6.099 4.951 1.00 3.24 N ATOM 997 CA ILE A 72 -0.834 4.904 4.147 1.00 42.11 C ATOM 998 C ILE A 72 -1.740 4.873 2.914 1.00 73.14 C ATOM 999 O ILE A 72 -1.286 4.542 1.818 1.00 21.13 O ATOM 1000 CB ILE A 72 -0.989 3.603 4.964 1.00 11.14 C ATOM 1001 CG1 ILE A 72 -2.425 3.422 5.458 1.00 44.52 C ATOM 1002 CG2 ILE A 72 -0.008 3.597 6.140 1.00 11.54 C ATOM 1003 CD1 ILE A 72 -2.627 2.138 6.218 1.00 32.42 C ATOM 0 H ILE A 72 -1.452 5.916 5.882 1.00 3.24 H new ATOM 0 HA ILE A 72 0.203 4.958 3.816 1.00 42.11 H new ATOM 0 HB ILE A 72 -0.758 2.763 4.309 1.00 11.14 H new ATOM 0 HG12 ILE A 72 -2.692 4.263 6.098 1.00 44.52 H new ATOM 0 HG13 ILE A 72 -3.103 3.443 4.605 1.00 44.52 H new ATOM 0 HG21 ILE A 72 -0.127 2.675 6.708 1.00 11.54 H new ATOM 0 HG22 ILE A 72 1.013 3.662 5.763 1.00 11.54 H new ATOM 0 HG23 ILE A 72 -0.210 4.451 6.787 1.00 11.54 H new ATOM 0 HD11 ILE A 72 -3.665 2.067 6.542 1.00 32.42 H new ATOM 0 HD12 ILE A 72 -2.390 1.292 5.573 1.00 32.42 H new ATOM 0 HD13 ILE A 72 -1.973 2.124 7.090 1.00 32.42 H new ATOM 1015 N GLU A 73 -3.009 5.251 3.089 1.00 22.54 N ATOM 1016 CA GLU A 73 -3.963 5.284 1.980 1.00 53.13 C ATOM 1017 C GLU A 73 -3.521 6.285 0.920 1.00 21.34 C ATOM 1018 O GLU A 73 -3.490 5.964 -0.271 1.00 12.11 O ATOM 1019 CB GLU A 73 -5.377 5.624 2.484 1.00 54.02 C ATOM 1020 CG GLU A 73 -6.060 4.469 3.205 1.00 42.52 C ATOM 1021 CD GLU A 73 -7.444 4.834 3.734 1.00 32.42 C ATOM 1022 OE1 GLU A 73 -8.456 4.474 3.086 1.00 53.23 O ATOM 1023 OE2 GLU A 73 -7.521 5.478 4.801 1.00 2.30 O ATOM 0 H GLU A 73 -3.398 5.538 3.987 1.00 22.54 H new ATOM 0 HA GLU A 73 -3.990 4.292 1.528 1.00 53.13 H new ATOM 0 HB2 GLU A 73 -5.318 6.478 3.158 1.00 54.02 H new ATOM 0 HB3 GLU A 73 -5.992 5.928 1.637 1.00 54.02 H new ATOM 0 HG2 GLU A 73 -6.149 3.623 2.523 1.00 42.52 H new ATOM 0 HG3 GLU A 73 -5.433 4.144 4.036 1.00 42.52 H new ATOM 1030 N ASP A 74 -3.159 7.487 1.359 1.00 41.55 N ATOM 1031 CA ASP A 74 -2.726 8.544 0.449 1.00 61.23 C ATOM 1032 C ASP A 74 -1.497 8.109 -0.348 1.00 4.21 C ATOM 1033 O ASP A 74 -1.453 8.243 -1.571 1.00 63.12 O ATOM 1034 CB ASP A 74 -2.421 9.830 1.224 1.00 20.24 C ATOM 1035 CG ASP A 74 -2.021 10.970 0.302 1.00 75.13 C ATOM 1036 OD1 ASP A 74 -2.896 11.480 -0.425 1.00 12.51 O ATOM 1037 OD2 ASP A 74 -0.835 11.363 0.302 1.00 55.23 O ATOM 0 H ASP A 74 -3.157 7.754 2.343 1.00 41.55 H new ATOM 0 HA ASP A 74 -3.539 8.739 -0.250 1.00 61.23 H new ATOM 0 HB2 ASP A 74 -3.298 10.122 1.801 1.00 20.24 H new ATOM 0 HB3 ASP A 74 -1.618 9.642 1.937 1.00 20.24 H new ATOM 1042 N GLN A 75 -0.510 7.570 0.355 1.00 11.41 N ATOM 1043 CA GLN A 75 0.728 7.115 -0.275 1.00 1.41 C ATOM 1044 C GLN A 75 0.459 5.983 -1.269 1.00 54.44 C ATOM 1045 O GLN A 75 0.987 5.983 -2.386 1.00 63.34 O ATOM 1046 CB GLN A 75 1.728 6.678 0.801 1.00 22.10 C ATOM 1047 CG GLN A 75 2.275 7.846 1.617 1.00 44.32 C ATOM 1048 CD GLN A 75 3.033 7.424 2.868 1.00 2.14 C ATOM 1049 OE1 GLN A 75 3.960 8.108 3.304 1.00 33.35 O ATOM 1050 NE2 GLN A 75 2.634 6.310 3.466 1.00 62.12 N ATOM 0 H GLN A 75 -0.540 7.436 1.366 1.00 11.41 H new ATOM 0 HA GLN A 75 1.158 7.944 -0.837 1.00 1.41 H new ATOM 0 HB2 GLN A 75 1.244 5.968 1.472 1.00 22.10 H new ATOM 0 HB3 GLN A 75 2.557 6.153 0.327 1.00 22.10 H new ATOM 0 HG2 GLN A 75 2.937 8.439 0.986 1.00 44.32 H new ATOM 0 HG3 GLN A 75 1.447 8.493 1.907 1.00 44.32 H new ATOM 0 HE21 GLN A 75 1.862 5.770 3.075 1.00 62.12 H new ATOM 0 HE22 GLN A 75 3.099 5.993 4.317 1.00 62.12 H new ATOM 1059 N SER A 76 -0.384 5.034 -0.867 1.00 3.41 N ATOM 1060 CA SER A 76 -0.730 3.906 -1.726 1.00 4.03 C ATOM 1061 C SER A 76 -1.436 4.388 -2.991 1.00 11.41 C ATOM 1062 O SER A 76 -0.990 4.098 -4.100 1.00 21.14 O ATOM 1063 CB SER A 76 -1.604 2.896 -0.976 1.00 63.03 C ATOM 1064 OG SER A 76 -0.916 2.362 0.141 1.00 71.33 O ATOM 0 H SER A 76 -0.839 5.024 0.046 1.00 3.41 H new ATOM 0 HA SER A 76 0.195 3.407 -2.016 1.00 4.03 H new ATOM 0 HB2 SER A 76 -2.523 3.380 -0.645 1.00 63.03 H new ATOM 0 HB3 SER A 76 -1.894 2.089 -1.649 1.00 63.03 H new ATOM 0 HG SER A 76 -0.918 3.017 0.870 1.00 71.33 H new ATOM 1070 N ARG A 77 -2.529 5.144 -2.829 1.00 53.43 N ATOM 1071 CA ARG A 77 -3.272 5.650 -3.984 1.00 1.32 C ATOM 1072 C ARG A 77 -2.352 6.472 -4.889 1.00 40.42 C ATOM 1073 O ARG A 77 -2.428 6.372 -6.112 1.00 34.22 O ATOM 1074 CB ARG A 77 -4.515 6.466 -3.545 1.00 12.04 C ATOM 1075 CG ARG A 77 -4.222 7.782 -2.812 1.00 65.11 C ATOM 1076 CD ARG A 77 -4.086 8.969 -3.764 1.00 23.35 C ATOM 1077 NE ARG A 77 -3.682 10.198 -3.074 1.00 51.52 N ATOM 1078 CZ ARG A 77 -3.430 11.353 -3.692 1.00 52.22 C ATOM 1079 NH1 ARG A 77 -3.573 11.459 -5.008 1.00 23.15 N ATOM 1080 NH2 ARG A 77 -3.045 12.404 -2.985 1.00 13.44 N ATOM 0 H ARG A 77 -2.912 5.414 -1.923 1.00 53.43 H new ATOM 0 HA ARG A 77 -3.637 4.797 -4.556 1.00 1.32 H new ATOM 0 HB2 ARG A 77 -5.111 6.689 -4.430 1.00 12.04 H new ATOM 0 HB3 ARG A 77 -5.128 5.839 -2.897 1.00 12.04 H new ATOM 0 HG2 ARG A 77 -5.022 7.982 -2.100 1.00 65.11 H new ATOM 0 HG3 ARG A 77 -3.302 7.676 -2.237 1.00 65.11 H new ATOM 0 HD2 ARG A 77 -3.353 8.731 -4.534 1.00 23.35 H new ATOM 0 HD3 ARG A 77 -5.037 9.136 -4.270 1.00 23.35 H new ATOM 0 HE ARG A 77 -3.588 10.168 -2.059 1.00 51.52 H new ATOM 0 HH11 ARG A 77 -3.878 10.653 -5.554 1.00 23.15 H new ATOM 0 HH12 ARG A 77 -3.378 12.346 -5.472 1.00 23.15 H new ATOM 0 HH21 ARG A 77 -2.942 12.328 -1.973 1.00 13.44 H new ATOM 0 HH22 ARG A 77 -2.851 13.290 -3.452 1.00 13.44 H new ATOM 1094 N SER A 78 -1.451 7.237 -4.274 1.00 1.31 N ATOM 1095 CA SER A 78 -0.531 8.093 -5.009 1.00 73.44 C ATOM 1096 C SER A 78 0.275 7.290 -6.029 1.00 14.24 C ATOM 1097 O SER A 78 0.299 7.628 -7.214 1.00 14.00 O ATOM 1098 CB SER A 78 0.409 8.810 -4.030 1.00 50.42 C ATOM 1099 OG SER A 78 1.378 9.596 -4.708 1.00 14.31 O ATOM 0 H SER A 78 -1.341 7.279 -3.261 1.00 1.31 H new ATOM 0 HA SER A 78 -1.114 8.835 -5.554 1.00 73.44 H new ATOM 0 HB2 SER A 78 -0.175 9.447 -3.366 1.00 50.42 H new ATOM 0 HB3 SER A 78 0.912 8.073 -3.404 1.00 50.42 H new ATOM 0 HG SER A 78 1.957 10.038 -4.053 1.00 14.31 H new ATOM 1105 N ALA A 79 0.938 6.226 -5.580 1.00 25.34 N ATOM 1106 CA ALA A 79 1.765 5.432 -6.483 1.00 11.14 C ATOM 1107 C ALA A 79 0.908 4.562 -7.405 1.00 64.33 C ATOM 1108 O ALA A 79 0.985 4.685 -8.626 1.00 70.43 O ATOM 1109 CB ALA A 79 2.745 4.573 -5.692 1.00 23.31 C ATOM 0 H ALA A 79 0.920 5.899 -4.614 1.00 25.34 H new ATOM 0 HA ALA A 79 2.332 6.121 -7.110 1.00 11.14 H new ATOM 0 HB1 ALA A 79 3.354 3.987 -6.381 1.00 23.31 H new ATOM 0 HB2 ALA A 79 3.391 5.215 -5.093 1.00 23.31 H new ATOM 0 HB3 ALA A 79 2.192 3.901 -5.035 1.00 23.31 H new ATOM 1115 N LEU A 80 -0.003 3.789 -6.812 1.00 52.32 N ATOM 1116 CA LEU A 80 -0.765 2.778 -7.555 1.00 2.51 C ATOM 1117 C LEU A 80 -1.596 3.409 -8.669 1.00 64.11 C ATOM 1118 O LEU A 80 -1.702 2.860 -9.771 1.00 65.24 O ATOM 1119 CB LEU A 80 -1.664 1.963 -6.607 1.00 1.01 C ATOM 1120 CG LEU A 80 -0.969 0.814 -5.845 1.00 33.12 C ATOM 1121 CD1 LEU A 80 -0.414 -0.224 -6.821 1.00 21.04 C ATOM 1122 CD2 LEU A 80 0.138 1.337 -4.931 1.00 23.42 C ATOM 0 H LEU A 80 -0.233 3.842 -5.820 1.00 52.32 H new ATOM 0 HA LEU A 80 -0.046 2.102 -8.018 1.00 2.51 H new ATOM 0 HB2 LEU A 80 -2.103 2.644 -5.878 1.00 1.01 H new ATOM 0 HB3 LEU A 80 -2.486 1.544 -7.187 1.00 1.01 H new ATOM 0 HG LEU A 80 -1.719 0.334 -5.217 1.00 33.12 H new ATOM 0 HD11 LEU A 80 0.072 -1.025 -6.263 1.00 21.04 H new ATOM 0 HD12 LEU A 80 -1.229 -0.638 -7.415 1.00 21.04 H new ATOM 0 HD13 LEU A 80 0.312 0.250 -7.482 1.00 21.04 H new ATOM 0 HD21 LEU A 80 0.605 0.501 -4.411 1.00 23.42 H new ATOM 0 HD22 LEU A 80 0.887 1.857 -5.528 1.00 23.42 H new ATOM 0 HD23 LEU A 80 -0.288 2.026 -4.202 1.00 23.42 H new ATOM 1134 N VAL A 81 -2.184 4.564 -8.380 1.00 72.42 N ATOM 1135 CA VAL A 81 -2.928 5.308 -9.385 1.00 61.44 C ATOM 1136 C VAL A 81 -1.958 6.034 -10.317 1.00 52.02 C ATOM 1137 O VAL A 81 -2.264 6.265 -11.490 1.00 74.22 O ATOM 1138 CB VAL A 81 -3.914 6.324 -8.748 1.00 11.45 C ATOM 1139 CG1 VAL A 81 -4.673 7.105 -9.821 1.00 12.30 C ATOM 1140 CG2 VAL A 81 -4.892 5.612 -7.813 1.00 24.23 C ATOM 0 H VAL A 81 -2.159 5.003 -7.460 1.00 72.42 H new ATOM 0 HA VAL A 81 -3.520 4.592 -9.954 1.00 61.44 H new ATOM 0 HB VAL A 81 -3.329 7.035 -8.164 1.00 11.45 H new ATOM 0 HG11 VAL A 81 -5.356 7.808 -9.344 1.00 12.30 H new ATOM 0 HG12 VAL A 81 -3.964 7.652 -10.443 1.00 12.30 H new ATOM 0 HG13 VAL A 81 -5.241 6.412 -10.442 1.00 12.30 H new ATOM 0 HG21 VAL A 81 -5.575 6.341 -7.377 1.00 24.23 H new ATOM 0 HG22 VAL A 81 -5.462 4.873 -8.377 1.00 24.23 H new ATOM 0 HG23 VAL A 81 -4.338 5.113 -7.018 1.00 24.23 H new ATOM 1150 N GLY A 82 -0.772 6.363 -9.799 1.00 1.34 N ATOM 1151 CA GLY A 82 0.181 7.147 -10.562 1.00 42.43 C ATOM 1152 C GLY A 82 0.756 6.357 -11.714 1.00 5.44 C ATOM 1153 O GLY A 82 0.839 6.847 -12.844 1.00 31.23 O ATOM 0 H GLY A 82 -0.458 6.099 -8.865 1.00 1.34 H new ATOM 0 HA2 GLY A 82 -0.307 8.044 -10.943 1.00 42.43 H new ATOM 0 HA3 GLY A 82 0.988 7.477 -9.908 1.00 42.43 H new ATOM 1157 N SER A 83 1.145 5.123 -11.425 1.00 2.04 N ATOM 1158 CA SER A 83 1.676 4.217 -12.431 1.00 51.21 C ATOM 1159 C SER A 83 0.544 3.670 -13.298 1.00 64.13 C ATOM 1160 O SER A 83 0.762 3.255 -14.438 1.00 13.42 O ATOM 1161 CB SER A 83 2.421 3.075 -11.739 1.00 50.04 C ATOM 1162 OG SER A 83 1.625 2.510 -10.708 1.00 2.24 O ATOM 0 H SER A 83 1.101 4.723 -10.488 1.00 2.04 H new ATOM 0 HA SER A 83 2.369 4.757 -13.076 1.00 51.21 H new ATOM 0 HB2 SER A 83 2.679 2.307 -12.469 1.00 50.04 H new ATOM 0 HB3 SER A 83 3.357 3.445 -11.321 1.00 50.04 H new ATOM 0 HG SER A 83 2.198 2.015 -10.086 1.00 2.24 H new ATOM 1168 N GLY A 84 -0.669 3.690 -12.750 1.00 42.34 N ATOM 1169 CA GLY A 84 -1.827 3.206 -13.475 1.00 54.32 C ATOM 1170 C GLY A 84 -1.829 1.696 -13.604 1.00 63.55 C ATOM 1171 O GLY A 84 -2.071 1.154 -14.683 1.00 74.11 O ATOM 0 H GLY A 84 -0.869 4.035 -11.811 1.00 42.34 H new ATOM 0 HA2 GLY A 84 -2.734 3.527 -12.963 1.00 54.32 H new ATOM 0 HA3 GLY A 84 -1.846 3.654 -14.468 1.00 54.32 H new ATOM 1175 N LEU A 85 -1.537 1.015 -12.499 1.00 43.24 N ATOM 1176 CA LEU A 85 -1.528 -0.446 -12.474 1.00 62.33 C ATOM 1177 C LEU A 85 -2.947 -0.989 -12.315 1.00 53.54 C ATOM 1178 O LEU A 85 -3.282 -2.051 -12.844 1.00 25.54 O ATOM 1179 CB LEU A 85 -0.644 -0.963 -11.327 1.00 44.24 C ATOM 1180 CG LEU A 85 0.829 -0.523 -11.371 1.00 65.30 C ATOM 1181 CD1 LEU A 85 1.600 -1.126 -10.199 1.00 65.25 C ATOM 1182 CD2 LEU A 85 1.478 -0.911 -12.700 1.00 1.21 C ATOM 0 H LEU A 85 -1.303 1.452 -11.607 1.00 43.24 H new ATOM 0 HA LEU A 85 -1.118 -0.796 -13.421 1.00 62.33 H new ATOM 0 HB2 LEU A 85 -1.075 -0.631 -10.382 1.00 44.24 H new ATOM 0 HB3 LEU A 85 -0.679 -2.052 -11.328 1.00 44.24 H new ATOM 0 HG LEU A 85 0.862 0.563 -11.286 1.00 65.30 H new ATOM 0 HD11 LEU A 85 2.641 -0.805 -10.244 1.00 65.25 H new ATOM 0 HD12 LEU A 85 1.157 -0.790 -9.261 1.00 65.25 H new ATOM 0 HD13 LEU A 85 1.553 -2.214 -10.254 1.00 65.25 H new ATOM 0 HD21 LEU A 85 2.519 -0.588 -12.704 1.00 1.21 H new ATOM 0 HD22 LEU A 85 1.433 -1.993 -12.825 1.00 1.21 H new ATOM 0 HD23 LEU A 85 0.945 -0.429 -13.520 1.00 1.21 H new ATOM 1194 N VAL A 86 -3.780 -0.248 -11.590 1.00 4.40 N ATOM 1195 CA VAL A 86 -5.138 -0.682 -11.269 1.00 71.23 C ATOM 1196 C VAL A 86 -6.109 0.495 -11.334 1.00 55.33 C ATOM 1197 O VAL A 86 -5.686 1.654 -11.360 1.00 41.22 O ATOM 1198 CB VAL A 86 -5.207 -1.318 -9.853 1.00 2.23 C ATOM 1199 CG1 VAL A 86 -4.357 -2.588 -9.775 1.00 2.43 C ATOM 1200 CG2 VAL A 86 -4.771 -0.310 -8.787 1.00 12.12 C ATOM 0 H VAL A 86 -3.535 0.666 -11.210 1.00 4.40 H new ATOM 0 HA VAL A 86 -5.422 -1.431 -12.008 1.00 71.23 H new ATOM 0 HB VAL A 86 -6.243 -1.597 -9.661 1.00 2.23 H new ATOM 0 HG11 VAL A 86 -4.425 -3.010 -8.772 1.00 2.43 H new ATOM 0 HG12 VAL A 86 -4.722 -3.315 -10.501 1.00 2.43 H new ATOM 0 HG13 VAL A 86 -3.318 -2.344 -9.996 1.00 2.43 H new ATOM 0 HG21 VAL A 86 -4.826 -0.775 -7.803 1.00 12.12 H new ATOM 0 HG22 VAL A 86 -3.746 0.006 -8.982 1.00 12.12 H new ATOM 0 HG23 VAL A 86 -5.430 0.558 -8.816 1.00 12.12 H new ATOM 1210 N ASP A 87 -7.404 0.188 -11.358 1.00 43.43 N ATOM 1211 CA ASP A 87 -8.446 1.213 -11.350 1.00 62.44 C ATOM 1212 C ASP A 87 -8.610 1.766 -9.941 1.00 52.44 C ATOM 1213 O ASP A 87 -8.642 2.981 -9.735 1.00 51.00 O ATOM 1214 CB ASP A 87 -9.790 0.639 -11.835 1.00 65.10 C ATOM 1215 CG ASP A 87 -9.765 0.195 -13.291 1.00 41.33 C ATOM 1216 OD1 ASP A 87 -9.406 -0.971 -13.556 1.00 52.44 O ATOM 1217 OD2 ASP A 87 -10.118 1.003 -14.176 1.00 2.12 O ATOM 0 H ASP A 87 -7.759 -0.768 -11.383 1.00 43.43 H new ATOM 0 HA ASP A 87 -8.146 2.011 -12.029 1.00 62.44 H new ATOM 0 HB2 ASP A 87 -10.062 -0.210 -11.208 1.00 65.10 H new ATOM 0 HB3 ASP A 87 -10.567 1.392 -11.705 1.00 65.10 H new ATOM 1222 N ASP A 88 -8.697 0.862 -8.969 1.00 63.51 N ATOM 1223 CA ASP A 88 -8.903 1.240 -7.572 1.00 55.04 C ATOM 1224 C ASP A 88 -7.942 0.478 -6.666 1.00 14.30 C ATOM 1225 O ASP A 88 -7.429 -0.581 -7.034 1.00 50.44 O ATOM 1226 CB ASP A 88 -10.347 0.950 -7.127 1.00 61.30 C ATOM 1227 CG ASP A 88 -11.395 1.762 -7.879 1.00 62.01 C ATOM 1228 OD1 ASP A 88 -11.587 2.953 -7.542 1.00 65.10 O ATOM 1229 OD2 ASP A 88 -12.050 1.205 -8.786 1.00 0.11 O ATOM 0 H ASP A 88 -8.628 -0.144 -9.124 1.00 63.51 H new ATOM 0 HA ASP A 88 -8.714 2.310 -7.490 1.00 55.04 H new ATOM 0 HB2 ASP A 88 -10.554 -0.111 -7.266 1.00 61.30 H new ATOM 0 HB3 ASP A 88 -10.437 1.156 -6.060 1.00 61.30 H new ATOM 1234 N ILE A 89 -7.701 1.022 -5.480 1.00 2.34 N ATOM 1235 CA ILE A 89 -6.904 0.341 -4.464 1.00 61.11 C ATOM 1236 C ILE A 89 -7.807 -0.054 -3.305 1.00 3.34 C ATOM 1237 O ILE A 89 -8.932 0.441 -3.194 1.00 72.13 O ATOM 1238 CB ILE A 89 -5.755 1.228 -3.919 1.00 13.10 C ATOM 1239 CG1 ILE A 89 -6.319 2.411 -3.109 1.00 34.01 C ATOM 1240 CG2 ILE A 89 -4.872 1.725 -5.062 1.00 20.31 C ATOM 1241 CD1 ILE A 89 -5.269 3.164 -2.323 1.00 4.44 C ATOM 0 H ILE A 89 -8.048 1.938 -5.196 1.00 2.34 H new ATOM 0 HA ILE A 89 -6.456 -0.535 -4.933 1.00 61.11 H new ATOM 0 HB ILE A 89 -5.141 0.623 -3.252 1.00 13.10 H new ATOM 0 HG12 ILE A 89 -6.816 3.102 -3.790 1.00 34.01 H new ATOM 0 HG13 ILE A 89 -7.079 2.040 -2.421 1.00 34.01 H new ATOM 0 HG21 ILE A 89 -4.071 2.346 -4.660 1.00 20.31 H new ATOM 0 HG22 ILE A 89 -4.441 0.872 -5.586 1.00 20.31 H new ATOM 0 HG23 ILE A 89 -5.472 2.312 -5.757 1.00 20.31 H new ATOM 0 HD11 ILE A 89 -5.740 3.982 -1.778 1.00 4.44 H new ATOM 0 HD12 ILE A 89 -4.788 2.487 -1.617 1.00 4.44 H new ATOM 0 HD13 ILE A 89 -4.521 3.566 -3.007 1.00 4.44 H new ATOM 1253 N ARG A 90 -7.327 -0.938 -2.447 1.00 70.23 N ATOM 1254 CA ARG A 90 -8.075 -1.311 -1.260 1.00 65.34 C ATOM 1255 C ARG A 90 -7.128 -1.772 -0.157 1.00 30.03 C ATOM 1256 O ARG A 90 -6.566 -2.861 -0.233 1.00 2.23 O ATOM 1257 CB ARG A 90 -9.070 -2.426 -1.592 1.00 14.21 C ATOM 1258 CG ARG A 90 -10.171 -2.583 -0.555 1.00 54.14 C ATOM 1259 CD ARG A 90 -11.254 -1.516 -0.716 1.00 44.13 C ATOM 1260 NE ARG A 90 -12.004 -1.690 -1.967 1.00 44.34 N ATOM 1261 CZ ARG A 90 -13.040 -2.525 -2.104 1.00 11.01 C ATOM 1262 NH1 ARG A 90 -13.455 -3.250 -1.073 1.00 30.33 N ATOM 1263 NH2 ARG A 90 -13.655 -2.639 -3.274 1.00 12.21 N ATOM 0 H ARG A 90 -6.428 -1.408 -2.550 1.00 70.23 H new ATOM 0 HA ARG A 90 -8.624 -0.437 -0.909 1.00 65.34 H new ATOM 0 HB2 ARG A 90 -9.522 -2.222 -2.563 1.00 14.21 H new ATOM 0 HB3 ARG A 90 -8.530 -3.369 -1.683 1.00 14.21 H new ATOM 0 HG2 ARG A 90 -10.619 -3.573 -0.646 1.00 54.14 H new ATOM 0 HG3 ARG A 90 -9.742 -2.518 0.445 1.00 54.14 H new ATOM 0 HD2 ARG A 90 -11.940 -1.563 0.130 1.00 44.13 H new ATOM 0 HD3 ARG A 90 -10.796 -0.527 -0.700 1.00 44.13 H new ATOM 0 HE ARG A 90 -11.718 -1.142 -2.779 1.00 44.34 H new ATOM 0 HH11 ARG A 90 -12.984 -3.172 -0.172 1.00 30.33 H new ATOM 0 HH12 ARG A 90 -14.245 -3.886 -1.182 1.00 30.33 H new ATOM 0 HH21 ARG A 90 -13.338 -2.089 -4.072 1.00 12.21 H new ATOM 0 HH22 ARG A 90 -14.445 -3.277 -3.375 1.00 12.21 H new ATOM 1277 N ILE A 91 -6.952 -0.937 0.858 1.00 35.11 N ATOM 1278 CA ILE A 91 -6.122 -1.282 2.003 1.00 5.15 C ATOM 1279 C ILE A 91 -6.982 -1.868 3.114 1.00 50.50 C ATOM 1280 O ILE A 91 -8.026 -1.314 3.458 1.00 65.51 O ATOM 1281 CB ILE A 91 -5.354 -0.049 2.547 1.00 75.14 C ATOM 1282 CG1 ILE A 91 -4.423 0.523 1.464 1.00 55.41 C ATOM 1283 CG2 ILE A 91 -4.562 -0.413 3.807 1.00 64.35 C ATOM 1284 CD1 ILE A 91 -3.604 1.711 1.926 1.00 20.55 C ATOM 0 H ILE A 91 -7.376 -0.011 0.911 1.00 35.11 H new ATOM 0 HA ILE A 91 -5.393 -2.019 1.668 1.00 5.15 H new ATOM 0 HB ILE A 91 -6.081 0.717 2.816 1.00 75.14 H new ATOM 0 HG12 ILE A 91 -3.747 -0.263 1.127 1.00 55.41 H new ATOM 0 HG13 ILE A 91 -5.022 0.819 0.603 1.00 55.41 H new ATOM 0 HG21 ILE A 91 -4.032 0.467 4.170 1.00 64.35 H new ATOM 0 HG22 ILE A 91 -5.247 -0.768 4.577 1.00 64.35 H new ATOM 0 HG23 ILE A 91 -3.843 -1.198 3.571 1.00 64.35 H new ATOM 0 HD11 ILE A 91 -2.973 2.058 1.108 1.00 20.55 H new ATOM 0 HD12 ILE A 91 -4.272 2.515 2.235 1.00 20.55 H new ATOM 0 HD13 ILE A 91 -2.977 1.416 2.768 1.00 20.55 H new ATOM 1296 N ASN A 92 -6.549 -3.000 3.644 1.00 24.33 N ATOM 1297 CA ASN A 92 -7.209 -3.637 4.778 1.00 34.22 C ATOM 1298 C ASN A 92 -6.332 -3.465 6.001 1.00 14.11 C ATOM 1299 O ASN A 92 -5.132 -3.714 5.939 1.00 63.32 O ATOM 1300 CB ASN A 92 -7.430 -5.133 4.491 1.00 14.14 C ATOM 1301 CG ASN A 92 -8.286 -5.875 5.528 1.00 50.34 C ATOM 1302 OD1 ASN A 92 -9.039 -6.772 5.169 1.00 11.42 O ATOM 1303 ND2 ASN A 92 -8.162 -5.561 6.808 1.00 52.22 N ATOM 0 H ASN A 92 -5.731 -3.505 3.303 1.00 24.33 H new ATOM 0 HA ASN A 92 -8.181 -3.175 4.949 1.00 34.22 H new ATOM 0 HB2 ASN A 92 -7.902 -5.234 3.514 1.00 14.14 H new ATOM 0 HB3 ASN A 92 -6.458 -5.622 4.428 1.00 14.14 H new ATOM 0 HD21 ASN A 92 -8.698 -6.069 7.512 1.00 52.22 H new ATOM 0 HD22 ASN A 92 -7.531 -4.811 7.090 1.00 52.22 H new ATOM 1310 N TRP A 93 -6.918 -3.031 7.107 1.00 75.34 N ATOM 1311 CA TRP A 93 -6.177 -2.909 8.354 1.00 2.22 C ATOM 1312 C TRP A 93 -6.524 -4.080 9.268 1.00 34.25 C ATOM 1313 O TRP A 93 -7.619 -4.131 9.832 1.00 45.03 O ATOM 1314 CB TRP A 93 -6.511 -1.581 9.048 1.00 12.42 C ATOM 1315 CG TRP A 93 -6.601 -0.425 8.100 1.00 13.53 C ATOM 1316 CD1 TRP A 93 -5.569 0.309 7.591 1.00 14.41 C ATOM 1317 CD2 TRP A 93 -7.800 0.124 7.543 1.00 43.23 C ATOM 1318 NE1 TRP A 93 -6.056 1.282 6.749 1.00 1.52 N ATOM 1319 CE2 TRP A 93 -7.424 1.187 6.704 1.00 60.42 C ATOM 1320 CE3 TRP A 93 -9.154 -0.187 7.674 1.00 71.14 C ATOM 1321 CZ2 TRP A 93 -8.356 1.945 6.000 1.00 25.53 C ATOM 1322 CZ3 TRP A 93 -10.078 0.564 6.977 1.00 73.44 C ATOM 1323 CH2 TRP A 93 -9.675 1.618 6.149 1.00 64.31 C ATOM 0 H TRP A 93 -7.899 -2.759 7.167 1.00 75.34 H new ATOM 0 HA TRP A 93 -5.109 -2.924 8.136 1.00 2.22 H new ATOM 0 HB2 TRP A 93 -7.459 -1.683 9.577 1.00 12.42 H new ATOM 0 HB3 TRP A 93 -5.749 -1.369 9.798 1.00 12.42 H new ATOM 0 HD1 TRP A 93 -4.525 0.150 7.816 1.00 14.41 H new ATOM 0 HE1 TRP A 93 -5.492 1.963 6.241 1.00 1.52 H new ATOM 0 HE3 TRP A 93 -9.473 -1.000 8.309 1.00 71.14 H new ATOM 0 HZ2 TRP A 93 -8.049 2.760 5.361 1.00 25.53 H new ATOM 0 HZ3 TRP A 93 -11.129 0.335 7.072 1.00 73.44 H new ATOM 0 HH2 TRP A 93 -10.423 2.186 5.616 1.00 64.31 H new ATOM 1334 N VAL A 94 -5.599 -5.023 9.405 1.00 35.22 N ATOM 1335 CA VAL A 94 -5.806 -6.171 10.281 1.00 72.31 C ATOM 1336 C VAL A 94 -5.025 -5.979 11.571 1.00 23.53 C ATOM 1337 O VAL A 94 -3.815 -5.753 11.555 1.00 50.23 O ATOM 1338 CB VAL A 94 -5.404 -7.509 9.601 1.00 65.13 C ATOM 1339 CG1 VAL A 94 -6.357 -7.828 8.454 1.00 74.21 C ATOM 1340 CG2 VAL A 94 -3.961 -7.472 9.101 1.00 63.41 C ATOM 0 H VAL A 94 -4.700 -5.016 8.922 1.00 35.22 H new ATOM 0 HA VAL A 94 -6.872 -6.232 10.502 1.00 72.31 H new ATOM 0 HB VAL A 94 -5.475 -8.298 10.350 1.00 65.13 H new ATOM 0 HG11 VAL A 94 -6.063 -8.768 7.987 1.00 74.21 H new ATOM 0 HG12 VAL A 94 -7.373 -7.916 8.839 1.00 74.21 H new ATOM 0 HG13 VAL A 94 -6.317 -7.028 7.715 1.00 74.21 H new ATOM 0 HG21 VAL A 94 -3.714 -8.424 8.631 1.00 63.41 H new ATOM 0 HG22 VAL A 94 -3.849 -6.668 8.373 1.00 63.41 H new ATOM 0 HG23 VAL A 94 -3.289 -7.297 9.941 1.00 63.41 H new ATOM 1350 N TRP A 95 -5.728 -6.048 12.688 1.00 30.20 N ATOM 1351 CA TRP A 95 -5.126 -5.791 13.990 1.00 11.35 C ATOM 1352 C TRP A 95 -5.057 -7.077 14.806 1.00 11.15 C ATOM 1353 O TRP A 95 -4.117 -7.289 15.574 1.00 21.32 O ATOM 1354 CB TRP A 95 -5.936 -4.723 14.731 1.00 1.41 C ATOM 1355 CG TRP A 95 -6.243 -3.527 13.876 1.00 34.34 C ATOM 1356 CD1 TRP A 95 -5.342 -2.683 13.289 1.00 32.13 C ATOM 1357 CD2 TRP A 95 -7.542 -3.047 13.499 1.00 12.13 C ATOM 1358 NE1 TRP A 95 -5.999 -1.707 12.580 1.00 44.54 N ATOM 1359 CE2 TRP A 95 -7.350 -1.909 12.694 1.00 5.53 C ATOM 1360 CE3 TRP A 95 -8.847 -3.469 13.769 1.00 50.50 C ATOM 1361 CZ2 TRP A 95 -8.414 -1.188 12.155 1.00 11.30 C ATOM 1362 CZ3 TRP A 95 -9.903 -2.753 13.234 1.00 22.45 C ATOM 1363 CH2 TRP A 95 -9.681 -1.625 12.434 1.00 61.55 C ATOM 0 H TRP A 95 -6.721 -6.281 12.722 1.00 30.20 H new ATOM 0 HA TRP A 95 -4.109 -5.425 13.848 1.00 11.35 H new ATOM 0 HB2 TRP A 95 -6.870 -5.161 15.083 1.00 1.41 H new ATOM 0 HB3 TRP A 95 -5.382 -4.401 15.613 1.00 1.41 H new ATOM 0 HD1 TRP A 95 -4.269 -2.771 13.371 1.00 32.13 H new ATOM 0 HE1 TRP A 95 -5.554 -0.955 12.054 1.00 44.54 H new ATOM 0 HE3 TRP A 95 -9.028 -4.338 14.384 1.00 50.50 H new ATOM 0 HZ2 TRP A 95 -8.245 -0.317 11.540 1.00 11.30 H new ATOM 0 HZ3 TRP A 95 -10.916 -3.069 13.437 1.00 22.45 H new ATOM 0 HH2 TRP A 95 -10.527 -1.089 12.029 1.00 61.55 H new ATOM 1374 N ASN A 96 -6.051 -7.942 14.609 1.00 54.31 N ATOM 1375 CA ASN A 96 -6.134 -9.220 15.320 1.00 52.14 C ATOM 1376 C ASN A 96 -7.262 -10.091 14.745 1.00 25.21 C ATOM 1377 O ASN A 96 -7.034 -11.258 14.424 1.00 32.04 O ATOM 1378 CB ASN A 96 -6.343 -9.008 16.833 1.00 61.23 C ATOM 1379 CG ASN A 96 -6.197 -10.295 17.630 1.00 72.25 C ATOM 1380 OD1 ASN A 96 -7.148 -11.066 17.773 1.00 42.24 O ATOM 1381 ND2 ASN A 96 -5.016 -10.520 18.183 1.00 43.42 N ATOM 0 H ASN A 96 -6.818 -7.780 13.956 1.00 54.31 H new ATOM 0 HA ASN A 96 -5.185 -9.737 15.178 1.00 52.14 H new ATOM 0 HB2 ASN A 96 -5.622 -8.276 17.197 1.00 61.23 H new ATOM 0 HB3 ASN A 96 -7.335 -8.590 17.004 1.00 61.23 H new ATOM 0 HD21 ASN A 96 -4.869 -11.355 18.750 1.00 43.42 H new ATOM 0 HD22 ASN A 96 -4.252 -9.859 18.042 1.00 43.42 H new ATOM 1388 N PRO A 97 -8.502 -9.547 14.605 1.00 54.54 N ATOM 1389 CA PRO A 97 -9.630 -10.298 14.030 1.00 4.42 C ATOM 1390 C PRO A 97 -9.428 -10.573 12.535 1.00 63.24 C ATOM 1391 O PRO A 97 -8.652 -9.875 11.874 1.00 21.33 O ATOM 1392 CB PRO A 97 -10.850 -9.376 14.256 1.00 14.32 C ATOM 1393 CG PRO A 97 -10.391 -8.351 15.239 1.00 10.01 C ATOM 1394 CD PRO A 97 -8.920 -8.186 14.992 1.00 33.33 C ATOM 0 HA PRO A 97 -9.745 -11.278 14.493 1.00 4.42 H new ATOM 0 HB2 PRO A 97 -11.170 -8.911 13.323 1.00 14.32 H new ATOM 0 HB3 PRO A 97 -11.701 -9.937 14.641 1.00 14.32 H new ATOM 0 HG2 PRO A 97 -10.920 -7.409 15.099 1.00 10.01 H new ATOM 0 HG3 PRO A 97 -10.583 -8.675 16.262 1.00 10.01 H new ATOM 0 HD2 PRO A 97 -8.721 -7.461 14.203 1.00 33.33 H new ATOM 0 HD3 PRO A 97 -8.396 -7.839 15.883 1.00 33.33 H new ATOM 1402 N PRO A 98 -10.110 -11.604 11.990 1.00 25.12 N ATOM 1403 CA PRO A 98 -10.039 -11.940 10.559 1.00 2.21 C ATOM 1404 C PRO A 98 -10.619 -10.836 9.671 1.00 45.15 C ATOM 1405 O PRO A 98 -11.306 -9.932 10.155 1.00 51.40 O ATOM 1406 CB PRO A 98 -10.882 -13.224 10.437 1.00 23.04 C ATOM 1407 CG PRO A 98 -11.006 -13.745 11.830 1.00 25.31 C ATOM 1408 CD PRO A 98 -10.991 -12.532 12.719 1.00 41.35 C ATOM 0 HA PRO A 98 -9.008 -12.063 10.228 1.00 2.21 H new ATOM 0 HB2 PRO A 98 -11.861 -13.013 10.007 1.00 23.04 H new ATOM 0 HB3 PRO A 98 -10.398 -13.952 9.786 1.00 23.04 H new ATOM 0 HG2 PRO A 98 -11.929 -14.312 11.956 1.00 25.31 H new ATOM 0 HG3 PRO A 98 -10.183 -14.418 12.071 1.00 25.31 H new ATOM 0 HD2 PRO A 98 -11.990 -12.118 12.855 1.00 41.35 H new ATOM 0 HD3 PRO A 98 -10.603 -12.763 13.711 1.00 41.35 H new ATOM 1416 N TRP A 99 -10.354 -10.943 8.369 1.00 50.33 N ATOM 1417 CA TRP A 99 -10.788 -9.947 7.390 1.00 20.11 C ATOM 1418 C TRP A 99 -12.316 -9.853 7.329 1.00 25.12 C ATOM 1419 O TRP A 99 -13.015 -10.866 7.436 1.00 0.00 O ATOM 1420 CB TRP A 99 -10.237 -10.304 6.002 1.00 34.44 C ATOM 1421 CG TRP A 99 -8.751 -10.530 5.981 1.00 71.42 C ATOM 1422 CD1 TRP A 99 -7.775 -9.582 6.069 1.00 72.42 C ATOM 1423 CD2 TRP A 99 -8.073 -11.790 5.851 1.00 4.32 C ATOM 1424 NE1 TRP A 99 -6.540 -10.169 6.007 1.00 64.23 N ATOM 1425 CE2 TRP A 99 -6.692 -11.522 5.875 1.00 30.12 C ATOM 1426 CE3 TRP A 99 -8.500 -13.116 5.721 1.00 30.20 C ATOM 1427 CZ2 TRP A 99 -5.734 -12.527 5.772 1.00 71.31 C ATOM 1428 CZ3 TRP A 99 -7.548 -14.114 5.618 1.00 23.32 C ATOM 1429 CH2 TRP A 99 -6.178 -13.816 5.646 1.00 63.53 C ATOM 0 H TRP A 99 -9.833 -11.721 7.964 1.00 50.33 H new ATOM 0 HA TRP A 99 -10.399 -8.978 7.702 1.00 20.11 H new ATOM 0 HB2 TRP A 99 -10.737 -11.203 5.643 1.00 34.44 H new ATOM 0 HB3 TRP A 99 -10.483 -9.502 5.306 1.00 34.44 H new ATOM 0 HD1 TRP A 99 -7.951 -8.521 6.173 1.00 72.42 H new ATOM 0 HE1 TRP A 99 -5.648 -9.676 6.052 1.00 64.23 H new ATOM 0 HE3 TRP A 99 -9.553 -13.356 5.701 1.00 30.20 H new ATOM 0 HZ2 TRP A 99 -4.679 -12.298 5.791 1.00 71.31 H new ATOM 0 HZ3 TRP A 99 -7.865 -15.141 5.514 1.00 23.32 H new ATOM 0 HH2 TRP A 99 -5.460 -14.618 5.567 1.00 63.53 H new ATOM 1440 N GLY A 100 -12.822 -8.635 7.148 1.00 5.12 N ATOM 1441 CA GLY A 100 -14.255 -8.417 7.030 1.00 72.14 C ATOM 1442 C GLY A 100 -14.576 -7.064 6.411 1.00 42.45 C ATOM 1443 O GLY A 100 -14.161 -6.786 5.283 1.00 35.03 O ATOM 0 H GLY A 100 -12.259 -7.787 7.080 1.00 5.12 H new ATOM 0 HA2 GLY A 100 -14.693 -9.208 6.421 1.00 72.14 H new ATOM 0 HA3 GLY A 100 -14.714 -8.483 8.016 1.00 72.14 H new ATOM 1447 N PRO A 101 -15.309 -6.184 7.130 1.00 11.33 N ATOM 1448 CA PRO A 101 -15.628 -4.831 6.643 1.00 33.31 C ATOM 1449 C PRO A 101 -14.364 -3.990 6.476 1.00 24.33 C ATOM 1450 O PRO A 101 -14.337 -3.006 5.738 1.00 21.44 O ATOM 1451 CB PRO A 101 -16.535 -4.254 7.743 1.00 44.41 C ATOM 1452 CG PRO A 101 -16.202 -5.049 8.964 1.00 11.41 C ATOM 1453 CD PRO A 101 -15.875 -6.432 8.471 1.00 22.01 C ATOM 0 HA PRO A 101 -16.104 -4.839 5.662 1.00 33.31 H new ATOM 0 HB2 PRO A 101 -16.344 -3.192 7.897 1.00 44.41 H new ATOM 0 HB3 PRO A 101 -17.588 -4.353 7.481 1.00 44.41 H new ATOM 0 HG2 PRO A 101 -15.357 -4.613 9.497 1.00 11.41 H new ATOM 0 HG3 PRO A 101 -17.041 -5.069 9.659 1.00 11.41 H new ATOM 0 HD2 PRO A 101 -15.161 -6.934 9.123 1.00 22.01 H new ATOM 0 HD3 PRO A 101 -16.762 -7.063 8.424 1.00 22.01 H new ATOM 1461 N ASP A 102 -13.313 -4.419 7.162 1.00 63.22 N ATOM 1462 CA ASP A 102 -11.998 -3.778 7.102 1.00 71.13 C ATOM 1463 C ASP A 102 -11.382 -3.876 5.703 1.00 73.32 C ATOM 1464 O ASP A 102 -10.326 -3.299 5.445 1.00 1.12 O ATOM 1465 CB ASP A 102 -11.069 -4.398 8.160 1.00 13.33 C ATOM 1466 CG ASP A 102 -11.300 -5.892 8.326 1.00 14.01 C ATOM 1467 OD1 ASP A 102 -12.233 -6.264 9.075 1.00 40.42 O ATOM 1468 OD2 ASP A 102 -10.586 -6.692 7.701 1.00 74.51 O ATOM 0 H ASP A 102 -13.345 -5.228 7.782 1.00 63.22 H new ATOM 0 HA ASP A 102 -12.124 -2.717 7.318 1.00 71.13 H new ATOM 0 HB2 ASP A 102 -10.031 -4.222 7.877 1.00 13.33 H new ATOM 0 HB3 ASP A 102 -11.227 -3.900 9.116 1.00 13.33 H new ATOM 1473 N LYS A 103 -12.047 -4.604 4.801 1.00 52.24 N ATOM 1474 CA LYS A 103 -11.673 -4.611 3.384 1.00 1.12 C ATOM 1475 C LYS A 103 -12.249 -3.377 2.676 1.00 40.02 C ATOM 1476 O LYS A 103 -12.228 -3.297 1.447 1.00 34.05 O ATOM 1477 CB LYS A 103 -12.160 -5.894 2.678 1.00 62.20 C ATOM 1478 CG LYS A 103 -11.360 -7.158 3.001 1.00 52.25 C ATOM 1479 CD LYS A 103 -9.926 -7.086 2.460 1.00 24.05 C ATOM 1480 CE LYS A 103 -9.143 -8.374 2.741 1.00 62.23 C ATOM 1481 NZ LYS A 103 -7.668 -8.165 2.674 1.00 72.50 N ATOM 0 H LYS A 103 -12.847 -5.196 5.027 1.00 52.24 H new ATOM 0 HA LYS A 103 -10.585 -4.585 3.329 1.00 1.12 H new ATOM 0 HB2 LYS A 103 -13.203 -6.064 2.947 1.00 62.20 H new ATOM 0 HB3 LYS A 103 -12.131 -5.730 1.601 1.00 62.20 H new ATOM 0 HG2 LYS A 103 -11.333 -7.304 4.081 1.00 52.25 H new ATOM 0 HG3 LYS A 103 -11.865 -8.025 2.575 1.00 52.25 H new ATOM 0 HD2 LYS A 103 -9.952 -6.904 1.386 1.00 24.05 H new ATOM 0 HD3 LYS A 103 -9.409 -6.241 2.914 1.00 24.05 H new ATOM 0 HE2 LYS A 103 -9.410 -8.751 3.728 1.00 62.23 H new ATOM 0 HE3 LYS A 103 -9.433 -9.138 2.019 1.00 62.23 H new ATOM 0 HZ1 LYS A 103 -7.210 -9.033 2.332 1.00 72.50 H new ATOM 0 HZ2 LYS A 103 -7.458 -7.382 2.022 1.00 72.50 H new ATOM 0 HZ3 LYS A 103 -7.307 -7.933 3.621 1.00 72.50 H new ATOM 1495 N ILE A 104 -12.789 -2.434 3.450 1.00 71.10 N ATOM 1496 CA ILE A 104 -13.252 -1.152 2.915 1.00 1.14 C ATOM 1497 C ILE A 104 -12.325 -0.028 3.384 1.00 73.12 C ATOM 1498 O ILE A 104 -11.969 0.035 4.558 1.00 63.32 O ATOM 1499 CB ILE A 104 -14.706 -0.838 3.355 1.00 63.13 C ATOM 1500 CG1 ILE A 104 -15.664 -1.936 2.857 1.00 34.20 C ATOM 1501 CG2 ILE A 104 -15.144 0.541 2.844 1.00 1.03 C ATOM 1502 CD1 ILE A 104 -17.102 -1.747 3.299 1.00 53.21 C ATOM 0 H ILE A 104 -12.917 -2.535 4.457 1.00 71.10 H new ATOM 0 HA ILE A 104 -13.234 -1.222 1.827 1.00 1.14 H new ATOM 0 HB ILE A 104 -14.740 -0.819 4.444 1.00 63.13 H new ATOM 0 HG12 ILE A 104 -15.630 -1.966 1.768 1.00 34.20 H new ATOM 0 HG13 ILE A 104 -15.309 -2.903 3.214 1.00 34.20 H new ATOM 0 HG21 ILE A 104 -16.167 0.740 3.164 1.00 1.03 H new ATOM 0 HG22 ILE A 104 -14.482 1.306 3.249 1.00 1.03 H new ATOM 0 HG23 ILE A 104 -15.095 0.558 1.755 1.00 1.03 H new ATOM 0 HD11 ILE A 104 -17.713 -2.561 2.908 1.00 53.21 H new ATOM 0 HD12 ILE A 104 -17.151 -1.747 4.388 1.00 53.21 H new ATOM 0 HD13 ILE A 104 -17.477 -0.797 2.919 1.00 53.21 H new ATOM 1514 N THR A 105 -11.944 0.855 2.462 1.00 31.43 N ATOM 1515 CA THR A 105 -11.031 1.953 2.765 1.00 23.41 C ATOM 1516 C THR A 105 -11.759 3.102 3.465 1.00 43.32 C ATOM 1517 O THR A 105 -12.966 3.290 3.277 1.00 52.24 O ATOM 1518 CB THR A 105 -10.367 2.476 1.468 1.00 33.55 C ATOM 1519 OG1 THR A 105 -11.366 2.671 0.453 1.00 12.52 O ATOM 1520 CG2 THR A 105 -9.304 1.506 0.961 1.00 20.04 C ATOM 0 H THR A 105 -12.257 0.829 1.492 1.00 31.43 H new ATOM 0 HA THR A 105 -10.263 1.568 3.436 1.00 23.41 H new ATOM 0 HB THR A 105 -9.883 3.426 1.695 1.00 33.55 H new ATOM 0 HG1 THR A 105 -10.941 3.004 -0.365 1.00 12.52 H new ATOM 0 HG21 THR A 105 -8.856 1.901 0.049 1.00 20.04 H new ATOM 0 HG22 THR A 105 -8.532 1.383 1.721 1.00 20.04 H new ATOM 0 HG23 THR A 105 -9.763 0.540 0.750 1.00 20.04 H new ATOM 1528 N GLU A 106 -11.020 3.880 4.259 1.00 34.25 N ATOM 1529 CA GLU A 106 -11.588 5.042 4.939 1.00 33.14 C ATOM 1530 C GLU A 106 -11.968 6.088 3.892 1.00 52.55 C ATOM 1531 O GLU A 106 -12.866 6.907 4.098 1.00 1.24 O ATOM 1532 CB GLU A 106 -10.589 5.622 5.957 1.00 71.41 C ATOM 1533 CG GLU A 106 -11.165 6.729 6.847 1.00 2.33 C ATOM 1534 CD GLU A 106 -12.138 6.214 7.906 1.00 70.44 C ATOM 1535 OE1 GLU A 106 -11.945 6.519 9.107 1.00 41.13 O ATOM 1536 OE2 GLU A 106 -13.102 5.507 7.554 1.00 4.10 O ATOM 0 H GLU A 106 -10.029 3.725 4.446 1.00 34.25 H new ATOM 0 HA GLU A 106 -12.478 4.742 5.491 1.00 33.14 H new ATOM 0 HB2 GLU A 106 -10.225 4.814 6.592 1.00 71.41 H new ATOM 0 HB3 GLU A 106 -9.727 6.017 5.418 1.00 71.41 H new ATOM 0 HG2 GLU A 106 -10.345 7.251 7.341 1.00 2.33 H new ATOM 0 HG3 GLU A 106 -11.676 7.460 6.220 1.00 2.33 H new ATOM 1543 N ASP A 107 -11.281 6.026 2.752 1.00 1.30 N ATOM 1544 CA ASP A 107 -11.620 6.846 1.590 1.00 74.04 C ATOM 1545 C ASP A 107 -13.074 6.605 1.166 1.00 53.45 C ATOM 1546 O ASP A 107 -13.765 7.525 0.730 1.00 21.43 O ATOM 1547 CB ASP A 107 -10.665 6.527 0.427 1.00 14.13 C ATOM 1548 CG ASP A 107 -11.046 7.231 -0.872 1.00 3.42 C ATOM 1549 OD1 ASP A 107 -10.582 8.371 -1.097 1.00 31.35 O ATOM 1550 OD2 ASP A 107 -11.801 6.641 -1.672 1.00 53.44 O ATOM 0 H ASP A 107 -10.480 5.411 2.608 1.00 1.30 H new ATOM 0 HA ASP A 107 -11.512 7.896 1.860 1.00 74.04 H new ATOM 0 HB2 ASP A 107 -9.652 6.817 0.707 1.00 14.13 H new ATOM 0 HB3 ASP A 107 -10.653 5.450 0.259 1.00 14.13 H new ATOM 1555 N GLY A 108 -13.536 5.364 1.329 1.00 70.13 N ATOM 1556 CA GLY A 108 -14.910 5.023 0.987 1.00 54.13 C ATOM 1557 C GLY A 108 -15.912 5.730 1.881 1.00 2.54 C ATOM 1558 O GLY A 108 -16.987 6.134 1.430 1.00 55.22 O ATOM 0 H GLY A 108 -12.982 4.588 1.692 1.00 70.13 H new ATOM 0 HA2 GLY A 108 -15.101 5.289 -0.053 1.00 54.13 H new ATOM 0 HA3 GLY A 108 -15.047 3.945 1.071 1.00 54.13 H new ATOM 1562 N ARG A 109 -15.546 5.877 3.154 1.00 45.33 N ATOM 1563 CA ARG A 109 -16.347 6.624 4.129 1.00 2.20 C ATOM 1564 C ARG A 109 -16.545 8.064 3.664 1.00 13.43 C ATOM 1565 O ARG A 109 -17.604 8.661 3.867 1.00 52.32 O ATOM 1566 CB ARG A 109 -15.640 6.619 5.491 1.00 12.12 C ATOM 1567 CG ARG A 109 -16.325 7.454 6.576 1.00 33.52 C ATOM 1568 CD ARG A 109 -15.509 7.444 7.865 1.00 0.41 C ATOM 1569 NE ARG A 109 -16.030 8.368 8.876 1.00 42.14 N ATOM 1570 CZ ARG A 109 -15.393 8.659 10.013 1.00 22.14 C ATOM 1571 NH1 ARG A 109 -14.214 8.103 10.289 1.00 2.32 N ATOM 1572 NH2 ARG A 109 -15.932 9.513 10.873 1.00 34.41 N ATOM 0 H ARG A 109 -14.688 5.483 3.540 1.00 45.33 H new ATOM 0 HA ARG A 109 -17.322 6.145 4.220 1.00 2.20 H new ATOM 0 HB2 ARG A 109 -15.563 5.589 5.840 1.00 12.12 H new ATOM 0 HB3 ARG A 109 -14.623 6.987 5.357 1.00 12.12 H new ATOM 0 HG2 ARG A 109 -16.450 8.479 6.227 1.00 33.52 H new ATOM 0 HG3 ARG A 109 -17.323 7.059 6.769 1.00 33.52 H new ATOM 0 HD2 ARG A 109 -15.498 6.434 8.274 1.00 0.41 H new ATOM 0 HD3 ARG A 109 -14.476 7.707 7.637 1.00 0.41 H new ATOM 0 HE ARG A 109 -16.930 8.814 8.701 1.00 42.14 H new ATOM 0 HH11 ARG A 109 -13.791 7.450 9.630 1.00 2.32 H new ATOM 0 HH12 ARG A 109 -13.734 8.331 11.160 1.00 2.32 H new ATOM 0 HH21 ARG A 109 -16.832 9.946 10.665 1.00 34.41 H new ATOM 0 HH22 ARG A 109 -15.447 9.736 11.742 1.00 34.41 H new ATOM 1586 N GLU A 110 -15.507 8.605 3.038 1.00 64.32 N ATOM 1587 CA GLU A 110 -15.505 9.985 2.567 1.00 20.44 C ATOM 1588 C GLU A 110 -16.502 10.185 1.425 1.00 10.25 C ATOM 1589 O GLU A 110 -16.891 11.311 1.112 1.00 62.11 O ATOM 1590 CB GLU A 110 -14.089 10.363 2.101 1.00 24.24 C ATOM 1591 CG GLU A 110 -13.943 11.800 1.607 1.00 41.22 C ATOM 1592 CD GLU A 110 -13.967 12.830 2.727 1.00 5.00 C ATOM 1593 OE1 GLU A 110 -12.886 13.332 3.097 1.00 10.24 O ATOM 1594 OE2 GLU A 110 -15.061 13.156 3.232 1.00 54.34 O ATOM 0 H GLU A 110 -14.643 8.100 2.842 1.00 64.32 H new ATOM 0 HA GLU A 110 -15.808 10.631 3.391 1.00 20.44 H new ATOM 0 HB2 GLU A 110 -13.395 10.205 2.927 1.00 24.24 H new ATOM 0 HB3 GLU A 110 -13.792 9.686 1.300 1.00 24.24 H new ATOM 0 HG2 GLU A 110 -13.006 11.894 1.057 1.00 41.22 H new ATOM 0 HG3 GLU A 110 -14.748 12.019 0.905 1.00 41.22 H new ATOM 1601 N GLN A 111 -16.926 9.088 0.810 1.00 64.44 N ATOM 1602 CA GLN A 111 -17.717 9.168 -0.406 1.00 13.02 C ATOM 1603 C GLN A 111 -19.126 8.611 -0.209 1.00 22.02 C ATOM 1604 O GLN A 111 -19.336 7.397 -0.184 1.00 52.43 O ATOM 1605 CB GLN A 111 -16.988 8.434 -1.534 1.00 45.42 C ATOM 1606 CG GLN A 111 -15.566 8.947 -1.737 1.00 12.01 C ATOM 1607 CD GLN A 111 -14.918 8.401 -2.998 1.00 22.03 C ATOM 1608 OE1 GLN A 111 -15.084 8.955 -4.088 1.00 31.23 O ATOM 1609 NE2 GLN A 111 -14.146 7.337 -2.855 1.00 25.20 N ATOM 0 H GLN A 111 -16.736 8.139 1.133 1.00 64.44 H new ATOM 0 HA GLN A 111 -17.832 10.218 -0.673 1.00 13.02 H new ATOM 0 HB2 GLN A 111 -16.958 7.368 -1.310 1.00 45.42 H new ATOM 0 HB3 GLN A 111 -17.549 8.550 -2.461 1.00 45.42 H new ATOM 0 HG2 GLN A 111 -15.581 10.036 -1.784 1.00 12.01 H new ATOM 0 HG3 GLN A 111 -14.959 8.673 -0.874 1.00 12.01 H new ATOM 0 HE21 GLN A 111 -14.034 6.908 -1.937 1.00 25.20 H new ATOM 0 HE22 GLN A 111 -13.662 6.946 -3.663 1.00 25.20 H new ATOM 1618 N LEU A 112 -20.084 9.519 -0.064 1.00 64.04 N ATOM 1619 CA LEU A 112 -21.496 9.165 0.036 1.00 72.10 C ATOM 1620 C LEU A 112 -22.335 10.366 -0.385 1.00 63.33 C ATOM 1621 O LEU A 112 -21.882 11.507 -0.280 1.00 22.01 O ATOM 1622 CB LEU A 112 -21.861 8.753 1.470 1.00 2.54 C ATOM 1623 CG LEU A 112 -23.241 8.084 1.647 1.00 1.24 C ATOM 1624 CD1 LEU A 112 -23.286 6.735 0.933 1.00 5.42 C ATOM 1625 CD2 LEU A 112 -23.577 7.930 3.131 1.00 71.25 C ATOM 0 H LEU A 112 -19.904 10.522 -0.012 1.00 64.04 H new ATOM 0 HA LEU A 112 -21.696 8.317 -0.619 1.00 72.10 H new ATOM 0 HB2 LEU A 112 -21.097 8.068 1.837 1.00 2.54 H new ATOM 0 HB3 LEU A 112 -21.824 9.640 2.103 1.00 2.54 H new ATOM 0 HG LEU A 112 -23.995 8.728 1.193 1.00 1.24 H new ATOM 0 HD11 LEU A 112 -24.268 6.282 1.072 1.00 5.42 H new ATOM 0 HD12 LEU A 112 -23.100 6.880 -0.131 1.00 5.42 H new ATOM 0 HD13 LEU A 112 -22.522 6.078 1.348 1.00 5.42 H new ATOM 0 HD21 LEU A 112 -24.553 7.457 3.236 1.00 71.25 H new ATOM 0 HD22 LEU A 112 -22.820 7.311 3.613 1.00 71.25 H new ATOM 0 HD23 LEU A 112 -23.597 8.912 3.603 1.00 71.25 H new ATOM 1637 N ARG A 113 -23.559 10.107 -0.829 1.00 2.11 N ATOM 1638 CA ARG A 113 -24.439 11.164 -1.343 1.00 62.23 C ATOM 1639 C ARG A 113 -24.714 12.216 -0.267 1.00 44.35 C ATOM 1640 O ARG A 113 -24.781 13.411 -0.554 1.00 41.31 O ATOM 1641 CB ARG A 113 -25.773 10.579 -1.845 1.00 52.34 C ATOM 1642 CG ARG A 113 -26.632 9.964 -0.740 1.00 34.31 C ATOM 1643 CD ARG A 113 -28.027 9.589 -1.229 1.00 4.52 C ATOM 1644 NE ARG A 113 -28.871 9.120 -0.128 1.00 34.34 N ATOM 1645 CZ ARG A 113 -30.185 9.326 -0.045 1.00 53.32 C ATOM 1646 NH1 ARG A 113 -30.827 9.981 -1.007 1.00 42.01 N ATOM 1647 NH2 ARG A 113 -30.854 8.885 1.009 1.00 24.53 N ATOM 0 H ARG A 113 -23.971 9.174 -0.846 1.00 2.11 H new ATOM 0 HA ARG A 113 -23.926 11.638 -2.180 1.00 62.23 H new ATOM 0 HB2 ARG A 113 -26.342 11.367 -2.338 1.00 52.34 H new ATOM 0 HB3 ARG A 113 -25.565 9.818 -2.597 1.00 52.34 H new ATOM 0 HG2 ARG A 113 -26.136 9.075 -0.350 1.00 34.31 H new ATOM 0 HG3 ARG A 113 -26.717 10.670 0.086 1.00 34.31 H new ATOM 0 HD2 ARG A 113 -28.492 10.453 -1.704 1.00 4.52 H new ATOM 0 HD3 ARG A 113 -27.951 8.811 -1.988 1.00 4.52 H new ATOM 0 HE ARG A 113 -28.423 8.600 0.627 1.00 34.34 H new ATOM 0 HH11 ARG A 113 -30.314 10.330 -1.816 1.00 42.01 H new ATOM 0 HH12 ARG A 113 -31.833 10.134 -0.936 1.00 42.01 H new ATOM 0 HH21 ARG A 113 -30.364 8.390 1.754 1.00 24.53 H new ATOM 0 HH22 ARG A 113 -31.860 9.041 1.076 1.00 24.53 H new ATOM 1661 N ALA A 114 -24.853 11.759 0.976 1.00 14.05 N ATOM 1662 CA ALA A 114 -25.202 12.637 2.091 1.00 43.24 C ATOM 1663 C ALA A 114 -24.075 13.620 2.396 1.00 54.22 C ATOM 1664 O ALA A 114 -24.298 14.673 2.998 1.00 10.30 O ATOM 1665 CB ALA A 114 -25.537 11.804 3.325 1.00 65.13 C ATOM 0 H ALA A 114 -24.729 10.781 1.237 1.00 14.05 H new ATOM 0 HA ALA A 114 -26.079 13.219 1.807 1.00 43.24 H new ATOM 0 HB1 ALA A 114 -25.796 12.466 4.151 1.00 65.13 H new ATOM 0 HB2 ALA A 114 -26.381 11.151 3.105 1.00 65.13 H new ATOM 0 HB3 ALA A 114 -24.673 11.199 3.601 1.00 65.13 H new ATOM 1671 N LEU A 115 -22.866 13.275 1.968 1.00 4.25 N ATOM 1672 CA LEU A 115 -21.690 14.099 2.228 1.00 42.14 C ATOM 1673 C LEU A 115 -21.570 15.195 1.165 1.00 62.43 C ATOM 1674 O LEU A 115 -20.877 16.198 1.359 1.00 33.32 O ATOM 1675 CB LEU A 115 -20.438 13.204 2.272 1.00 74.24 C ATOM 1676 CG LEU A 115 -19.136 13.874 2.762 1.00 71.21 C ATOM 1677 CD1 LEU A 115 -18.291 12.886 3.565 1.00 10.05 C ATOM 1678 CD2 LEU A 115 -18.327 14.423 1.586 1.00 33.14 C ATOM 0 H LEU A 115 -22.673 12.426 1.437 1.00 4.25 H new ATOM 0 HA LEU A 115 -21.788 14.592 3.195 1.00 42.14 H new ATOM 0 HB2 LEU A 115 -20.649 12.352 2.918 1.00 74.24 H new ATOM 0 HB3 LEU A 115 -20.264 12.809 1.271 1.00 74.24 H new ATOM 0 HG LEU A 115 -19.412 14.707 3.409 1.00 71.21 H new ATOM 0 HD11 LEU A 115 -17.378 13.377 3.901 1.00 10.05 H new ATOM 0 HD12 LEU A 115 -18.858 12.542 4.430 1.00 10.05 H new ATOM 0 HD13 LEU A 115 -18.034 12.033 2.937 1.00 10.05 H new ATOM 0 HD21 LEU A 115 -17.415 14.890 1.958 1.00 33.14 H new ATOM 0 HD22 LEU A 115 -18.068 13.608 0.911 1.00 33.14 H new ATOM 0 HD23 LEU A 115 -18.921 15.163 1.050 1.00 33.14 H new ATOM 1690 N GLY A 116 -22.271 15.004 0.050 1.00 23.23 N ATOM 1691 CA GLY A 116 -22.283 15.994 -1.012 1.00 30.44 C ATOM 1692 C GLY A 116 -23.228 17.140 -0.700 1.00 0.25 C ATOM 1693 O GLY A 116 -24.381 17.140 -1.139 1.00 12.34 O ATOM 0 H GLY A 116 -22.835 14.175 -0.137 1.00 23.23 H new ATOM 0 HA2 GLY A 116 -21.275 16.383 -1.159 1.00 30.44 H new ATOM 0 HA3 GLY A 116 -22.581 15.521 -1.947 1.00 30.44 H new ATOM 1697 N PHE A 117 -22.747 18.101 0.086 1.00 34.13 N ATOM 1698 CA PHE A 117 -23.542 19.273 0.453 1.00 65.30 C ATOM 1699 C PHE A 117 -23.861 20.122 -0.779 1.00 3.54 C ATOM 1700 O PHE A 117 -22.969 20.732 -1.371 1.00 43.41 O ATOM 1701 CB PHE A 117 -22.805 20.122 1.501 1.00 34.22 C ATOM 1702 CG PHE A 117 -22.743 19.491 2.869 1.00 53.23 C ATOM 1703 CD1 PHE A 117 -21.713 18.624 3.207 1.00 65.04 C ATOM 1704 CD2 PHE A 117 -23.715 19.771 3.820 1.00 62.33 C ATOM 1705 CE1 PHE A 117 -21.656 18.051 4.464 1.00 73.24 C ATOM 1706 CE2 PHE A 117 -23.662 19.199 5.077 1.00 63.44 C ATOM 1707 CZ PHE A 117 -22.632 18.339 5.399 1.00 11.33 C ATOM 0 H PHE A 117 -21.807 18.092 0.483 1.00 34.13 H new ATOM 0 HA PHE A 117 -24.479 18.921 0.884 1.00 65.30 H new ATOM 0 HB2 PHE A 117 -21.789 20.310 1.152 1.00 34.22 H new ATOM 0 HB3 PHE A 117 -23.299 21.091 1.581 1.00 34.22 H new ATOM 0 HD1 PHE A 117 -20.948 18.395 2.480 1.00 65.04 H new ATOM 0 HD2 PHE A 117 -24.523 20.444 3.574 1.00 62.33 H new ATOM 0 HE1 PHE A 117 -20.849 17.379 4.715 1.00 73.24 H new ATOM 0 HE2 PHE A 117 -24.426 19.425 5.806 1.00 63.44 H new ATOM 0 HZ PHE A 117 -22.589 17.891 6.381 1.00 11.33 H new ATOM 1717 N THR A 118 -25.133 20.149 -1.158 1.00 2.31 N ATOM 1718 CA THR A 118 -25.582 20.915 -2.313 1.00 64.32 C ATOM 1719 C THR A 118 -25.493 22.418 -2.044 1.00 10.14 C ATOM 1720 O THR A 118 -25.749 22.875 -0.923 1.00 70.12 O ATOM 1721 CB THR A 118 -27.034 20.537 -2.678 1.00 71.03 C ATOM 1722 OG1 THR A 118 -27.127 19.116 -2.855 1.00 52.42 O ATOM 1723 CG2 THR A 118 -27.493 21.243 -3.953 1.00 51.15 C ATOM 0 H THR A 118 -25.877 19.644 -0.677 1.00 2.31 H new ATOM 0 HA THR A 118 -24.926 20.673 -3.149 1.00 64.32 H new ATOM 0 HB THR A 118 -27.684 20.857 -1.863 1.00 71.03 H new ATOM 0 HG1 THR A 118 -28.049 18.875 -3.085 1.00 52.42 H new ATOM 0 HG21 THR A 118 -28.519 20.954 -4.180 1.00 51.15 H new ATOM 0 HG22 THR A 118 -27.444 22.322 -3.809 1.00 51.15 H new ATOM 0 HG23 THR A 118 -26.844 20.957 -4.781 1.00 51.15 H new ATOM 1731 N VAL A 119 -25.109 23.175 -3.070 1.00 32.14 N ATOM 1732 CA VAL A 119 -25.040 24.631 -2.987 1.00 12.55 C ATOM 1733 C VAL A 119 -26.062 25.263 -3.940 1.00 70.45 C ATOM 1734 O VAL A 119 -26.982 25.954 -3.459 1.00 12.13 O ATOM 1735 CB VAL A 119 -23.609 25.171 -3.287 1.00 72.03 C ATOM 1736 CG1 VAL A 119 -22.670 24.898 -2.114 1.00 14.43 C ATOM 1737 CG2 VAL A 119 -23.042 24.566 -4.573 1.00 14.23 C ATOM 1738 OXT VAL A 119 -25.977 25.018 -5.165 1.00 0.00 O ATOM 0 H VAL A 119 -24.838 22.798 -3.978 1.00 32.14 H new ATOM 0 HA VAL A 119 -25.281 24.912 -1.962 1.00 12.55 H new ATOM 0 HB VAL A 119 -23.688 26.249 -3.428 1.00 72.03 H new ATOM 0 HG11 VAL A 119 -21.677 25.283 -2.346 1.00 14.43 H new ATOM 0 HG12 VAL A 119 -23.051 25.391 -1.220 1.00 14.43 H new ATOM 0 HG13 VAL A 119 -22.610 23.824 -1.938 1.00 14.43 H new ATOM 0 HG21 VAL A 119 -22.043 24.964 -4.753 1.00 14.23 H new ATOM 0 HG22 VAL A 119 -22.988 23.482 -4.472 1.00 14.23 H new ATOM 0 HG23 VAL A 119 -23.690 24.821 -5.412 1.00 14.23 H new TER 1748 VAL A 119