USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 588 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 73 ASN : amide:sc= -1.86 X(o=-6.9,f=-7.3!) USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= -5.07! C(o=-7.5!,f=-6.9!) USER MOD Set 2.1: A 24 ASN : amide:sc= 0.905 K(o=-2,f=-7.4!) USER MOD Set 2.2: A 25 ASN : amide:sc= 0.18 K(o=-2,f=-2.8) USER MOD Set 2.3: A 66 GLN : amide:sc= -3.11! C(o=-2!,f=-2.8!) USER MOD Single : A 1 SER N :NH3+ -136:sc= 0.105 (180deg=-0.0696) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= -2.87! USER MOD Single : A 8 LYS NZ :NH3+ -156:sc= 0.473 (180deg=-0.82!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.273 K(o=-0.27,f=-2.6!) USER MOD Single : A 14 GLN : amide:sc= -3.29 K(o=-3.3,f=-7.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -15.8! C(o=-16!,f=-16!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -8.262 -10.009 -8.575 1.00 0.00 N ATOM 2 CA SER A 1 -8.327 -10.620 -9.892 1.00 0.00 C ATOM 3 C SER A 1 -6.984 -10.462 -10.609 1.00 0.00 C ATOM 4 O SER A 1 -6.453 -11.426 -11.158 1.00 0.00 O ATOM 5 CB SER A 1 -9.451 -10.006 -10.728 1.00 0.00 C ATOM 6 OG SER A 1 -9.342 -10.354 -12.106 1.00 0.00 O ATOM 0 H1 SER A 1 -8.706 -10.640 -7.877 1.00 0.00 H new ATOM 0 H2 SER A 1 -7.268 -9.850 -8.315 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.766 -9.099 -8.589 1.00 0.00 H new ATOM 0 HA SER A 1 -8.542 -11.681 -9.767 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.414 -10.343 -10.344 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.428 -8.921 -10.625 1.00 0.00 H new ATOM 0 HG SER A 1 -10.078 -9.944 -12.606 1.00 0.00 H new ATOM 12 N THR A 2 -6.475 -9.240 -10.580 1.00 0.00 N ATOM 13 CA THR A 2 -5.205 -8.943 -11.221 1.00 0.00 C ATOM 14 C THR A 2 -4.241 -8.301 -10.222 1.00 0.00 C ATOM 15 O THR A 2 -4.633 -7.959 -9.107 1.00 0.00 O ATOM 16 CB THR A 2 -5.485 -8.067 -12.444 1.00 0.00 C ATOM 17 OG1 THR A 2 -6.672 -7.358 -12.098 1.00 0.00 O ATOM 18 CG2 THR A 2 -5.885 -8.887 -13.672 1.00 0.00 C ATOM 0 H THR A 2 -6.919 -8.443 -10.123 1.00 0.00 H new ATOM 0 HA THR A 2 -4.712 -9.853 -11.562 1.00 0.00 H new ATOM 0 HB THR A 2 -4.600 -7.474 -12.676 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.925 -6.764 -12.835 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.072 -8.217 -14.511 1.00 0.00 H new ATOM 0 HG22 THR A 2 -5.079 -9.574 -13.929 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.789 -9.455 -13.452 1.00 0.00 H new ATOM 26 N ILE A 3 -2.997 -8.157 -10.657 1.00 0.00 N ATOM 27 CA ILE A 3 -1.974 -7.562 -9.814 1.00 0.00 C ATOM 28 C ILE A 3 -2.384 -6.134 -9.452 1.00 0.00 C ATOM 29 O ILE A 3 -2.888 -5.887 -8.357 1.00 0.00 O ATOM 30 CB ILE A 3 -0.604 -7.657 -10.488 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.092 -8.973 -10.135 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.261 -6.442 -10.145 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.993 -8.806 -8.909 1.00 0.00 C ATOM 0 H ILE A 3 -2.675 -8.442 -11.582 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.883 -8.114 -8.878 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.754 -7.652 -11.568 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.655 -9.742 -9.940 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.686 -9.313 -10.983 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.229 -6.534 -10.637 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.235 -5.534 -10.488 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.405 -6.391 -9.066 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.475 -9.756 -8.680 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.754 -8.053 -9.116 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.392 -8.489 -8.056 1.00 0.00 H new ATOM 45 N GLU A 4 -2.153 -5.229 -10.393 1.00 0.00 N ATOM 46 CA GLU A 4 -2.493 -3.832 -10.187 1.00 0.00 C ATOM 47 C GLU A 4 -3.872 -3.711 -9.536 1.00 0.00 C ATOM 48 O GLU A 4 -4.081 -2.865 -8.667 1.00 0.00 O ATOM 49 CB GLU A 4 -2.438 -3.054 -11.503 1.00 0.00 C ATOM 50 CG GLU A 4 -3.031 -1.653 -11.338 1.00 0.00 C ATOM 51 CD GLU A 4 -4.137 -1.402 -12.365 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.847 -1.228 -13.558 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.334 -1.392 -11.885 1.00 0.00 O ATOM 0 H GLU A 4 -1.734 -5.437 -11.300 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.756 -3.395 -9.514 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.405 -2.978 -11.841 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.986 -3.596 -12.273 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.432 -1.540 -10.331 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.246 -0.906 -11.454 1.00 0.00 H new ATOM 61 N GLU A 5 -4.778 -4.569 -9.981 1.00 0.00 N ATOM 62 CA GLU A 5 -6.132 -4.569 -9.453 1.00 0.00 C ATOM 63 C GLU A 5 -6.106 -4.473 -7.926 1.00 0.00 C ATOM 64 O GLU A 5 -6.426 -3.429 -7.360 1.00 0.00 O ATOM 65 CB GLU A 5 -6.900 -5.810 -9.911 1.00 0.00 C ATOM 66 CG GLU A 5 -8.037 -6.140 -8.943 1.00 0.00 C ATOM 67 CD GLU A 5 -9.254 -6.687 -9.692 1.00 0.00 C ATOM 68 OE1 GLU A 5 -9.385 -6.467 -10.905 1.00 0.00 O ATOM 69 OE2 GLU A 5 -10.080 -7.364 -8.969 1.00 0.00 O ATOM 0 H GLU A 5 -4.601 -5.269 -10.701 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.653 -3.695 -9.844 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.305 -5.644 -10.909 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.219 -6.658 -9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.696 -6.873 -8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.319 -5.245 -8.389 1.00 0.00 H new ATOM 77 N ARG A 6 -5.721 -5.577 -7.302 1.00 0.00 N ATOM 78 CA ARG A 6 -5.649 -5.631 -5.852 1.00 0.00 C ATOM 79 C ARG A 6 -5.121 -4.306 -5.297 1.00 0.00 C ATOM 80 O ARG A 6 -5.737 -3.708 -4.417 1.00 0.00 O ATOM 81 CB ARG A 6 -4.740 -6.770 -5.388 1.00 0.00 C ATOM 82 CG ARG A 6 -5.366 -8.131 -5.694 1.00 0.00 C ATOM 83 CD ARG A 6 -4.310 -9.239 -5.669 1.00 0.00 C ATOM 84 NE ARG A 6 -3.762 -9.446 -7.028 1.00 0.00 N ATOM 85 CZ ARG A 6 -3.119 -10.566 -7.422 1.00 0.00 C ATOM 86 NH1 ARG A 6 -2.938 -11.591 -6.562 1.00 0.00 N ATOM 87 NH2 ARG A 6 -2.671 -10.644 -8.661 1.00 0.00 N ATOM 0 H ARG A 6 -5.456 -6.441 -7.775 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.656 -5.810 -5.476 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.772 -6.692 -5.883 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.559 -6.682 -4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.145 -8.350 -4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.846 -8.103 -6.672 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.508 -8.973 -4.981 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.751 -10.165 -5.301 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.877 -8.696 -7.709 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.288 -11.523 -5.606 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.451 -12.433 -6.868 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.813 -9.865 -9.304 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.183 -11.483 -8.975 1.00 0.00 H new ATOM 100 N VAL A 7 -3.985 -3.887 -5.836 1.00 0.00 N ATOM 101 CA VAL A 7 -3.366 -2.645 -5.406 1.00 0.00 C ATOM 102 C VAL A 7 -4.433 -1.551 -5.324 1.00 0.00 C ATOM 103 O VAL A 7 -4.631 -0.949 -4.269 1.00 0.00 O ATOM 104 CB VAL A 7 -2.211 -2.284 -6.341 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.391 -1.122 -5.778 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.323 -3.501 -6.611 1.00 0.00 C ATOM 0 H VAL A 7 -3.477 -4.386 -6.567 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.937 -2.757 -4.410 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.638 -1.963 -7.291 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.576 -0.886 -6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.031 -0.248 -5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.980 -1.403 -4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.510 -3.217 -7.279 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.910 -3.866 -5.671 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.916 -4.288 -7.076 1.00 0.00 H new ATOM 116 N LYS A 8 -5.092 -1.326 -6.451 1.00 0.00 N ATOM 117 CA LYS A 8 -6.134 -0.315 -6.520 1.00 0.00 C ATOM 118 C LYS A 8 -7.102 -0.506 -5.351 1.00 0.00 C ATOM 119 O LYS A 8 -7.426 0.449 -4.646 1.00 0.00 O ATOM 120 CB LYS A 8 -6.813 -0.338 -7.891 1.00 0.00 C ATOM 121 CG LYS A 8 -5.791 -0.144 -9.012 1.00 0.00 C ATOM 122 CD LYS A 8 -5.167 1.252 -8.950 1.00 0.00 C ATOM 123 CE LYS A 8 -5.572 2.088 -10.165 1.00 0.00 C ATOM 124 NZ LYS A 8 -6.835 2.812 -9.898 1.00 0.00 N ATOM 0 H LYS A 8 -4.925 -1.826 -7.324 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.705 0.682 -6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.332 -1.287 -8.028 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.566 0.448 -7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.009 -0.899 -8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.274 -0.288 -9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.483 1.755 -8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.081 1.167 -8.908 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.782 2.799 -10.404 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.693 1.442 -11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.306 3.032 -10.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.460 2.218 -9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.628 3.696 -9.391 1.00 0.00 H new ATOM 137 N LYS A 9 -7.537 -1.746 -5.181 1.00 0.00 N ATOM 138 CA LYS A 9 -8.462 -2.074 -4.109 1.00 0.00 C ATOM 139 C LYS A 9 -7.915 -1.534 -2.786 1.00 0.00 C ATOM 140 O LYS A 9 -8.527 -0.664 -2.167 1.00 0.00 O ATOM 141 CB LYS A 9 -8.747 -3.577 -4.089 1.00 0.00 C ATOM 142 CG LYS A 9 -10.239 -3.850 -3.891 1.00 0.00 C ATOM 143 CD LYS A 9 -10.601 -3.872 -2.405 1.00 0.00 C ATOM 144 CE LYS A 9 -11.579 -2.746 -2.062 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.259 -3.023 -0.777 1.00 0.00 N ATOM 0 H LYS A 9 -7.266 -2.535 -5.767 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.425 -1.592 -4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.412 -4.027 -5.024 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.178 -4.048 -3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.823 -3.083 -4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.501 -4.805 -4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.045 -4.834 -2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.697 -3.768 -1.805 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.044 -1.798 -2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.318 -2.644 -2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.919 -2.249 -0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.785 -3.917 -0.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.551 -3.098 -0.019 1.00 0.00 H new ATOM 158 N ILE A 10 -6.770 -2.071 -2.392 1.00 0.00 N ATOM 159 CA ILE A 10 -6.135 -1.654 -1.154 1.00 0.00 C ATOM 160 C ILE A 10 -5.938 -0.137 -1.173 1.00 0.00 C ATOM 161 O ILE A 10 -6.359 0.559 -0.250 1.00 0.00 O ATOM 162 CB ILE A 10 -4.841 -2.438 -0.925 1.00 0.00 C ATOM 163 CG1 ILE A 10 -5.101 -3.946 -0.959 1.00 0.00 C ATOM 164 CG2 ILE A 10 -4.159 -2.003 0.373 1.00 0.00 C ATOM 165 CD1 ILE A 10 -5.305 -4.499 0.453 1.00 0.00 C ATOM 0 H ILE A 10 -6.265 -2.791 -2.909 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.775 -1.883 -0.302 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.155 -2.211 -1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.983 -4.153 -1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.261 -4.453 -1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.242 -2.576 0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.919 -0.941 0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.829 -2.182 1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.488 -5.572 0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.412 -4.312 1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.160 -4.007 0.916 1.00 0.00 H new ATOM 177 N ILE A 11 -5.298 0.332 -2.234 1.00 0.00 N ATOM 178 CA ILE A 11 -5.041 1.754 -2.386 1.00 0.00 C ATOM 179 C ILE A 11 -6.329 2.533 -2.111 1.00 0.00 C ATOM 180 O ILE A 11 -6.319 3.514 -1.369 1.00 0.00 O ATOM 181 CB ILE A 11 -4.427 2.045 -3.757 1.00 0.00 C ATOM 182 CG1 ILE A 11 -3.169 1.204 -3.984 1.00 0.00 C ATOM 183 CG2 ILE A 11 -4.156 3.540 -3.930 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.906 2.045 -3.793 1.00 0.00 C ATOM 0 H ILE A 11 -4.950 -0.248 -2.997 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.304 2.088 -1.656 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.148 1.758 -4.522 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.159 0.363 -3.290 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.183 0.786 -4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.720 3.719 -4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.092 4.092 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.463 3.876 -3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.026 1.423 -3.960 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.907 2.871 -4.505 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.883 2.441 -2.778 1.00 0.00 H new ATOM 196 N GLY A 12 -7.407 2.067 -2.723 1.00 0.00 N ATOM 197 CA GLY A 12 -8.700 2.707 -2.554 1.00 0.00 C ATOM 198 C GLY A 12 -9.093 2.766 -1.076 1.00 0.00 C ATOM 199 O GLY A 12 -9.719 3.729 -0.635 1.00 0.00 O ATOM 0 H GLY A 12 -7.412 1.253 -3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.667 3.716 -2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.457 2.158 -3.114 1.00 0.00 H new ATOM 203 N GLN A 13 -8.711 1.724 -0.353 1.00 0.00 N ATOM 204 CA GLN A 13 -9.015 1.645 1.065 1.00 0.00 C ATOM 205 C GLN A 13 -8.125 2.608 1.854 1.00 0.00 C ATOM 206 O GLN A 13 -8.603 3.321 2.734 1.00 0.00 O ATOM 207 CB GLN A 13 -8.864 0.212 1.580 1.00 0.00 C ATOM 208 CG GLN A 13 -8.764 0.186 3.106 1.00 0.00 C ATOM 209 CD GLN A 13 -9.657 -0.908 3.695 1.00 0.00 C ATOM 210 OE1 GLN A 13 -10.566 -1.413 3.058 1.00 0.00 O ATOM 211 NE2 GLN A 13 -9.349 -1.243 4.945 1.00 0.00 N ATOM 0 H GLN A 13 -8.193 0.927 -0.723 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.054 1.940 1.210 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.716 -0.386 1.258 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.973 -0.242 1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.729 0.015 3.403 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.056 1.155 3.510 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.575 -0.780 5.421 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.887 -1.963 5.427 1.00 0.00 H new ATOM 220 N GLN A 14 -6.845 2.596 1.510 1.00 0.00 N ATOM 221 CA GLN A 14 -5.883 3.459 2.174 1.00 0.00 C ATOM 222 C GLN A 14 -6.514 4.818 2.482 1.00 0.00 C ATOM 223 O GLN A 14 -6.368 5.339 3.587 1.00 0.00 O ATOM 224 CB GLN A 14 -4.617 3.620 1.331 1.00 0.00 C ATOM 225 CG GLN A 14 -3.995 2.259 1.010 1.00 0.00 C ATOM 226 CD GLN A 14 -2.580 2.421 0.453 1.00 0.00 C ATOM 227 OE1 GLN A 14 -1.618 1.867 0.960 1.00 0.00 O ATOM 228 NE2 GLN A 14 -2.506 3.208 -0.617 1.00 0.00 N ATOM 0 H GLN A 14 -6.452 2.002 0.780 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.595 2.992 3.116 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.857 4.142 0.405 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.895 4.237 1.867 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.967 1.646 1.911 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.617 1.733 0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.350 3.641 -0.991 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.605 3.378 -1.063 1.00 0.00 H new ATOM 237 N LEU A 15 -7.202 5.355 1.485 1.00 0.00 N ATOM 238 CA LEU A 15 -7.855 6.644 1.635 1.00 0.00 C ATOM 239 C LEU A 15 -9.354 6.485 1.377 1.00 0.00 C ATOM 240 O LEU A 15 -10.150 6.458 2.314 1.00 0.00 O ATOM 241 CB LEU A 15 -7.185 7.691 0.742 1.00 0.00 C ATOM 242 CG LEU A 15 -5.747 8.063 1.107 1.00 0.00 C ATOM 243 CD1 LEU A 15 -5.297 9.318 0.357 1.00 0.00 C ATOM 244 CD2 LEU A 15 -5.586 8.212 2.622 1.00 0.00 C ATOM 0 H LEU A 15 -7.321 4.921 0.570 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.744 7.010 2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.195 7.324 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.790 8.597 0.762 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.094 7.249 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.271 9.560 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.349 9.138 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.950 10.151 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.554 8.477 2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.252 8.996 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.837 7.270 3.109 1.00 0.00 H new ATOM 256 N GLY A 16 -9.695 6.382 0.100 1.00 0.00 N ATOM 257 CA GLY A 16 -11.085 6.226 -0.293 1.00 0.00 C ATOM 258 C GLY A 16 -11.356 6.913 -1.633 1.00 0.00 C ATOM 259 O GLY A 16 -12.362 7.603 -1.789 1.00 0.00 O ATOM 0 H GLY A 16 -9.032 6.404 -0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.329 5.166 -0.368 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.733 6.649 0.474 1.00 0.00 H new ATOM 263 N VAL A 17 -10.441 6.699 -2.567 1.00 0.00 N ATOM 264 CA VAL A 17 -10.569 7.289 -3.889 1.00 0.00 C ATOM 265 C VAL A 17 -11.247 6.288 -4.826 1.00 0.00 C ATOM 266 O VAL A 17 -11.608 5.188 -4.409 1.00 0.00 O ATOM 267 CB VAL A 17 -9.198 7.745 -4.393 1.00 0.00 C ATOM 268 CG1 VAL A 17 -9.332 8.939 -5.341 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.266 8.075 -3.225 1.00 0.00 C ATOM 0 H VAL A 17 -9.608 6.125 -2.435 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.199 8.178 -3.851 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.756 6.921 -4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.343 9.243 -5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.943 8.656 -6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.805 9.769 -4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.299 8.396 -3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.702 8.875 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.133 7.189 -2.604 1.00 0.00 H new ATOM 279 N LYS A 18 -11.401 6.704 -6.074 1.00 0.00 N ATOM 280 CA LYS A 18 -12.030 5.858 -7.074 1.00 0.00 C ATOM 281 C LYS A 18 -10.950 5.087 -7.836 1.00 0.00 C ATOM 282 O LYS A 18 -9.927 4.714 -7.263 1.00 0.00 O ATOM 283 CB LYS A 18 -12.947 6.685 -7.976 1.00 0.00 C ATOM 284 CG LYS A 18 -14.162 5.868 -8.420 1.00 0.00 C ATOM 285 CD LYS A 18 -15.459 6.477 -7.884 1.00 0.00 C ATOM 286 CE LYS A 18 -15.848 5.849 -6.545 1.00 0.00 C ATOM 287 NZ LYS A 18 -17.041 6.521 -5.984 1.00 0.00 N ATOM 0 H LYS A 18 -11.101 7.617 -6.416 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.673 5.119 -6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.279 7.577 -7.444 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.393 7.024 -8.851 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -14.198 5.827 -9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.064 4.842 -8.065 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.336 7.553 -7.763 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.261 6.327 -8.607 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.052 4.787 -6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.016 5.927 -5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.291 6.082 -5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.834 7.529 -5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.837 6.424 -6.646 1.00 0.00 H new ATOM 300 N GLN A 19 -11.214 4.872 -9.116 1.00 0.00 N ATOM 301 CA GLN A 19 -10.277 4.152 -9.963 1.00 0.00 C ATOM 302 C GLN A 19 -9.718 5.080 -11.043 1.00 0.00 C ATOM 303 O GLN A 19 -8.710 4.767 -11.674 1.00 0.00 O ATOM 304 CB GLN A 19 -10.936 2.920 -10.585 1.00 0.00 C ATOM 305 CG GLN A 19 -12.309 3.265 -11.164 1.00 0.00 C ATOM 306 CD GLN A 19 -12.816 2.146 -12.076 1.00 0.00 C ATOM 307 OE1 GLN A 19 -12.840 0.981 -11.718 1.00 0.00 O ATOM 308 NE2 GLN A 19 -13.219 2.565 -13.273 1.00 0.00 N ATOM 0 H GLN A 19 -12.063 5.183 -9.588 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.449 3.806 -9.345 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.296 2.519 -11.371 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.041 2.140 -9.831 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.019 3.428 -10.353 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.247 4.197 -11.726 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.172 3.556 -13.509 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.575 1.895 -13.955 1.00 0.00 H new ATOM 317 N GLU A 20 -10.398 6.203 -11.224 1.00 0.00 N ATOM 318 CA GLU A 20 -9.982 7.178 -12.218 1.00 0.00 C ATOM 319 C GLU A 20 -9.121 8.263 -11.568 1.00 0.00 C ATOM 320 O GLU A 20 -8.277 8.868 -12.228 1.00 0.00 O ATOM 321 CB GLU A 20 -11.192 7.789 -12.926 1.00 0.00 C ATOM 322 CG GLU A 20 -11.078 7.629 -14.443 1.00 0.00 C ATOM 323 CD GLU A 20 -12.449 7.749 -15.112 1.00 0.00 C ATOM 324 OE1 GLU A 20 -13.389 8.286 -14.508 1.00 0.00 O ATOM 325 OE2 GLU A 20 -12.518 7.260 -16.304 1.00 0.00 O ATOM 0 H GLU A 20 -11.234 6.459 -10.699 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.382 6.668 -12.971 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.105 7.309 -12.574 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.270 8.846 -12.673 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.407 8.389 -14.843 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.638 6.660 -14.678 1.00 0.00 H new ATOM 333 N GLU A 21 -9.363 8.476 -10.283 1.00 0.00 N ATOM 334 CA GLU A 21 -8.620 9.478 -9.538 1.00 0.00 C ATOM 335 C GLU A 21 -7.282 8.905 -9.067 1.00 0.00 C ATOM 336 O GLU A 21 -6.403 9.648 -8.632 1.00 0.00 O ATOM 337 CB GLU A 21 -9.439 10.000 -8.355 1.00 0.00 C ATOM 338 CG GLU A 21 -10.137 11.315 -8.710 1.00 0.00 C ATOM 339 CD GLU A 21 -11.657 11.172 -8.612 1.00 0.00 C ATOM 340 OE1 GLU A 21 -12.192 10.075 -8.827 1.00 0.00 O ATOM 341 OE2 GLU A 21 -12.287 12.254 -8.298 1.00 0.00 O ATOM 0 H GLU A 21 -10.063 7.972 -9.739 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.420 10.321 -10.200 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.182 9.256 -8.066 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.787 10.151 -7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.798 12.104 -8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.861 11.616 -9.720 1.00 0.00 H new ATOM 349 N VAL A 22 -7.169 7.589 -9.170 1.00 0.00 N ATOM 350 CA VAL A 22 -5.952 6.908 -8.761 1.00 0.00 C ATOM 351 C VAL A 22 -5.607 5.828 -9.788 1.00 0.00 C ATOM 352 O VAL A 22 -5.279 4.700 -9.422 1.00 0.00 O ATOM 353 CB VAL A 22 -6.114 6.354 -7.343 1.00 0.00 C ATOM 354 CG1 VAL A 22 -4.805 5.741 -6.842 1.00 0.00 C ATOM 355 CG2 VAL A 22 -6.615 7.438 -6.386 1.00 0.00 C ATOM 0 H VAL A 22 -7.900 6.976 -9.531 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.116 7.606 -8.730 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.863 5.563 -7.374 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.947 5.355 -5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.508 4.927 -7.503 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.026 6.504 -6.832 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.722 7.019 -5.385 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.900 8.260 -6.361 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.581 7.808 -6.729 1.00 0.00 H new ATOM 365 N THR A 23 -5.692 6.211 -11.053 1.00 0.00 N ATOM 366 CA THR A 23 -5.393 5.290 -12.136 1.00 0.00 C ATOM 367 C THR A 23 -4.060 4.583 -11.882 1.00 0.00 C ATOM 368 O THR A 23 -3.409 4.825 -10.867 1.00 0.00 O ATOM 369 CB THR A 23 -5.423 6.076 -13.448 1.00 0.00 C ATOM 370 OG1 THR A 23 -4.254 6.888 -13.393 1.00 0.00 O ATOM 371 CG2 THR A 23 -6.574 7.083 -13.501 1.00 0.00 C ATOM 0 H THR A 23 -5.964 7.147 -11.353 1.00 0.00 H new ATOM 0 HA THR A 23 -6.139 4.498 -12.198 1.00 0.00 H new ATOM 0 HB THR A 23 -5.509 5.382 -14.285 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.194 7.430 -14.207 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.549 7.614 -14.453 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.523 6.556 -13.404 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.470 7.797 -12.684 1.00 0.00 H new ATOM 379 N ASN A 24 -3.694 3.724 -12.822 1.00 0.00 N ATOM 380 CA ASN A 24 -2.450 2.980 -12.712 1.00 0.00 C ATOM 381 C ASN A 24 -1.294 3.854 -13.203 1.00 0.00 C ATOM 382 O ASN A 24 -0.482 3.415 -14.016 1.00 0.00 O ATOM 383 CB ASN A 24 -2.486 1.716 -13.574 1.00 0.00 C ATOM 384 CG ASN A 24 -3.047 2.017 -14.965 1.00 0.00 C ATOM 385 OD1 ASN A 24 -4.151 2.511 -15.124 1.00 0.00 O ATOM 386 ND2 ASN A 24 -2.228 1.691 -15.960 1.00 0.00 N ATOM 0 H ASN A 24 -4.236 3.526 -13.663 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.315 2.700 -11.667 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.481 1.305 -13.665 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.098 0.957 -13.087 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.511 1.851 -16.927 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.317 1.281 -15.757 1.00 0.00 H new ATOM 393 N ASN A 25 -1.256 5.074 -12.688 1.00 0.00 N ATOM 394 CA ASN A 25 -0.213 6.013 -13.063 1.00 0.00 C ATOM 395 C ASN A 25 -0.506 7.374 -12.429 1.00 0.00 C ATOM 396 O ASN A 25 -0.257 8.413 -13.039 1.00 0.00 O ATOM 397 CB ASN A 25 -0.160 6.200 -14.581 1.00 0.00 C ATOM 398 CG ASN A 25 1.286 6.247 -15.078 1.00 0.00 C ATOM 399 OD1 ASN A 25 2.034 5.287 -14.982 1.00 0.00 O ATOM 400 ND2 ASN A 25 1.637 7.413 -15.612 1.00 0.00 N ATOM 0 H ASN A 25 -1.931 5.434 -12.014 1.00 0.00 H new ATOM 0 HA ASN A 25 0.740 5.615 -12.715 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.690 5.383 -15.070 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.673 7.122 -14.855 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.582 7.545 -15.972 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.961 8.175 -15.661 1.00 0.00 H new ATOM 407 N ALA A 26 -1.030 7.325 -11.213 1.00 0.00 N ATOM 408 CA ALA A 26 -1.359 8.541 -10.490 1.00 0.00 C ATOM 409 C ALA A 26 -0.306 8.786 -9.408 1.00 0.00 C ATOM 410 O ALA A 26 0.394 7.862 -8.997 1.00 0.00 O ATOM 411 CB ALA A 26 -2.771 8.426 -9.914 1.00 0.00 C ATOM 0 H ALA A 26 -1.235 6.461 -10.710 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.349 9.401 -11.160 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.018 9.338 -9.371 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.484 8.282 -10.725 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.818 7.575 -9.234 1.00 0.00 H new ATOM 417 N SER A 27 -0.226 10.037 -8.977 1.00 0.00 N ATOM 418 CA SER A 27 0.730 10.416 -7.951 1.00 0.00 C ATOM 419 C SER A 27 0.102 10.252 -6.565 1.00 0.00 C ATOM 420 O SER A 27 -1.008 9.738 -6.439 1.00 0.00 O ATOM 421 CB SER A 27 1.210 11.855 -8.149 1.00 0.00 C ATOM 422 OG SER A 27 2.368 11.922 -8.976 1.00 0.00 O ATOM 0 H SER A 27 -0.808 10.801 -9.320 1.00 0.00 H new ATOM 0 HA SER A 27 1.596 9.759 -8.031 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.410 12.446 -8.596 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.431 12.300 -7.179 1.00 0.00 H new ATOM 0 HG SER A 27 2.642 12.857 -9.080 1.00 0.00 H new ATOM 428 N PHE A 28 0.841 10.698 -5.560 1.00 0.00 N ATOM 429 CA PHE A 28 0.371 10.607 -4.188 1.00 0.00 C ATOM 430 C PHE A 28 0.473 11.961 -3.482 1.00 0.00 C ATOM 431 O PHE A 28 -0.391 12.314 -2.681 1.00 0.00 O ATOM 432 CB PHE A 28 1.274 9.602 -3.471 1.00 0.00 C ATOM 433 CG PHE A 28 0.767 8.159 -3.525 1.00 0.00 C ATOM 434 CD1 PHE A 28 0.512 7.573 -4.726 1.00 0.00 C ATOM 435 CD2 PHE A 28 0.572 7.463 -2.374 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.041 6.235 -4.777 1.00 0.00 C ATOM 437 CE2 PHE A 28 0.101 6.124 -2.424 1.00 0.00 C ATOM 438 CZ PHE A 28 -0.154 5.538 -3.625 1.00 0.00 C ATOM 0 H PHE A 28 1.762 11.123 -5.668 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.674 10.298 -4.173 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.269 9.643 -3.914 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.377 9.901 -2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.668 8.126 -5.641 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.775 7.928 -1.421 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.163 5.770 -5.730 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.055 5.571 -1.509 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.511 4.520 -3.664 1.00 0.00 H new ATOM 448 N VAL A 29 1.537 12.681 -3.805 1.00 0.00 N ATOM 449 CA VAL A 29 1.763 13.988 -3.212 1.00 0.00 C ATOM 450 C VAL A 29 0.432 14.736 -3.114 1.00 0.00 C ATOM 451 O VAL A 29 -0.060 14.994 -2.016 1.00 0.00 O ATOM 452 CB VAL A 29 2.820 14.751 -4.014 1.00 0.00 C ATOM 453 CG1 VAL A 29 3.004 16.169 -3.469 1.00 0.00 C ATOM 454 CG2 VAL A 29 4.148 13.993 -4.031 1.00 0.00 C ATOM 0 H VAL A 29 2.252 12.384 -4.469 1.00 0.00 H new ATOM 0 HA VAL A 29 2.154 13.886 -2.200 1.00 0.00 H new ATOM 0 HB VAL A 29 2.467 14.831 -5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.760 16.689 -4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.059 16.709 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.323 16.120 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.881 14.557 -4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.508 13.867 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.002 13.014 -4.488 1.00 0.00 H new ATOM 464 N GLU A 30 -0.114 15.064 -4.276 1.00 0.00 N ATOM 465 CA GLU A 30 -1.378 15.777 -4.335 1.00 0.00 C ATOM 466 C GLU A 30 -2.528 14.800 -4.587 1.00 0.00 C ATOM 467 O GLU A 30 -3.587 14.909 -3.971 1.00 0.00 O ATOM 468 CB GLU A 30 -1.342 16.870 -5.405 1.00 0.00 C ATOM 469 CG GLU A 30 -0.707 18.151 -4.860 1.00 0.00 C ATOM 470 CD GLU A 30 -1.125 19.366 -5.690 1.00 0.00 C ATOM 471 OE1 GLU A 30 -2.285 19.454 -6.119 1.00 0.00 O ATOM 472 OE2 GLU A 30 -0.196 20.240 -5.883 1.00 0.00 O ATOM 0 H GLU A 30 0.297 14.849 -5.185 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.544 16.262 -3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.778 16.519 -6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.355 17.080 -5.749 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.005 18.296 -3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.379 18.056 -4.870 1.00 0.00 H new ATOM 480 N ASP A 31 -2.280 13.867 -5.495 1.00 0.00 N ATOM 481 CA ASP A 31 -3.281 12.871 -5.836 1.00 0.00 C ATOM 482 C ASP A 31 -3.839 12.253 -4.552 1.00 0.00 C ATOM 483 O ASP A 31 -5.053 12.200 -4.362 1.00 0.00 O ATOM 484 CB ASP A 31 -2.674 11.745 -6.677 1.00 0.00 C ATOM 485 CG ASP A 31 -3.174 11.675 -8.121 1.00 0.00 C ATOM 486 OD1 ASP A 31 -4.303 11.235 -8.386 1.00 0.00 O ATOM 487 OD2 ASP A 31 -2.340 12.103 -9.008 1.00 0.00 O ATOM 0 H ASP A 31 -1.401 13.780 -6.005 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.067 13.365 -6.407 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.591 11.864 -6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.885 10.793 -6.189 1.00 0.00 H new ATOM 493 N LEU A 32 -2.926 11.802 -3.705 1.00 0.00 N ATOM 494 CA LEU A 32 -3.312 11.191 -2.445 1.00 0.00 C ATOM 495 C LEU A 32 -2.932 12.123 -1.293 1.00 0.00 C ATOM 496 O LEU A 32 -2.845 11.693 -0.144 1.00 0.00 O ATOM 497 CB LEU A 32 -2.712 9.788 -2.324 1.00 0.00 C ATOM 498 CG LEU A 32 -3.349 8.708 -3.201 1.00 0.00 C ATOM 499 CD1 LEU A 32 -2.473 7.455 -3.251 1.00 0.00 C ATOM 500 CD2 LEU A 32 -4.773 8.394 -2.736 1.00 0.00 C ATOM 0 H LEU A 32 -1.920 11.848 -3.867 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.393 11.056 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.651 9.846 -2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.784 9.472 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.420 9.092 -4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.949 6.703 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.497 7.710 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.348 7.058 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.203 7.623 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.749 8.039 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.382 9.296 -2.795 1.00 0.00 H new ATOM 512 N GLY A 33 -2.715 13.383 -1.641 1.00 0.00 N ATOM 513 CA GLY A 33 -2.346 14.380 -0.650 1.00 0.00 C ATOM 514 C GLY A 33 -1.197 13.882 0.228 1.00 0.00 C ATOM 515 O GLY A 33 -0.974 14.403 1.320 1.00 0.00 O ATOM 0 H GLY A 33 -2.788 13.736 -2.595 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.053 15.303 -1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.209 14.615 -0.027 1.00 0.00 H new ATOM 519 N ALA A 34 -0.497 12.879 -0.282 1.00 0.00 N ATOM 520 CA ALA A 34 0.624 12.304 0.443 1.00 0.00 C ATOM 521 C ALA A 34 0.317 12.316 1.941 1.00 0.00 C ATOM 522 O ALA A 34 0.792 13.187 2.669 1.00 0.00 O ATOM 523 CB ALA A 34 1.901 13.075 0.102 1.00 0.00 C ATOM 0 H ALA A 34 -0.684 12.450 -1.188 1.00 0.00 H new ATOM 0 HA ALA A 34 0.781 11.267 0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.742 12.644 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.090 13.010 -0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.782 14.120 0.387 1.00 0.00 H new ATOM 529 N ASP A 35 -0.476 11.340 2.359 1.00 0.00 N ATOM 530 CA ASP A 35 -0.852 11.228 3.758 1.00 0.00 C ATOM 531 C ASP A 35 0.040 10.187 4.439 1.00 0.00 C ATOM 532 O ASP A 35 0.605 9.319 3.775 1.00 0.00 O ATOM 533 CB ASP A 35 -2.305 10.772 3.903 1.00 0.00 C ATOM 534 CG ASP A 35 -3.051 11.361 5.102 1.00 0.00 C ATOM 535 OD1 ASP A 35 -2.493 11.488 6.202 1.00 0.00 O ATOM 536 OD2 ASP A 35 -4.273 11.702 4.869 1.00 0.00 O ATOM 0 H ASP A 35 -0.868 10.619 1.753 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.734 12.209 4.219 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.845 11.035 2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.323 9.685 3.981 1.00 0.00 H new ATOM 542 N SER A 36 0.138 10.309 5.754 1.00 0.00 N ATOM 543 CA SER A 36 0.952 9.390 6.532 1.00 0.00 C ATOM 544 C SER A 36 0.367 7.979 6.453 1.00 0.00 C ATOM 545 O SER A 36 1.077 7.026 6.133 1.00 0.00 O ATOM 546 CB SER A 36 1.051 9.842 7.991 1.00 0.00 C ATOM 547 OG SER A 36 2.323 10.412 8.287 1.00 0.00 O ATOM 0 H SER A 36 -0.333 11.030 6.301 1.00 0.00 H new ATOM 0 HA SER A 36 1.958 9.384 6.112 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.269 10.573 8.198 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.874 8.990 8.648 1.00 0.00 H new ATOM 0 HG SER A 36 2.346 10.690 9.227 1.00 0.00 H new ATOM 553 N LEU A 37 -0.920 7.888 6.750 1.00 0.00 N ATOM 554 CA LEU A 37 -1.608 6.608 6.716 1.00 0.00 C ATOM 555 C LEU A 37 -1.365 5.939 5.362 1.00 0.00 C ATOM 556 O LEU A 37 -1.388 4.714 5.258 1.00 0.00 O ATOM 557 CB LEU A 37 -3.089 6.787 7.057 1.00 0.00 C ATOM 558 CG LEU A 37 -3.719 8.116 6.636 1.00 0.00 C ATOM 559 CD1 LEU A 37 -5.089 7.893 5.993 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.791 9.087 7.816 1.00 0.00 C ATOM 0 H LEU A 37 -1.506 8.680 7.016 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.208 5.940 7.478 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.649 5.978 6.589 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.209 6.676 8.135 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.079 8.574 5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.515 8.853 5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.978 7.263 5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.751 7.403 6.707 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.243 10.024 7.489 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.396 8.650 8.610 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.786 9.280 8.190 1.00 0.00 H new ATOM 572 N ASP A 38 -1.138 6.774 4.358 1.00 0.00 N ATOM 573 CA ASP A 38 -0.891 6.278 3.014 1.00 0.00 C ATOM 574 C ASP A 38 0.459 5.560 2.980 1.00 0.00 C ATOM 575 O ASP A 38 0.532 4.384 2.627 1.00 0.00 O ATOM 576 CB ASP A 38 -0.842 7.427 2.005 1.00 0.00 C ATOM 577 CG ASP A 38 -1.854 7.327 0.862 1.00 0.00 C ATOM 578 OD1 ASP A 38 -1.986 6.278 0.215 1.00 0.00 O ATOM 579 OD2 ASP A 38 -2.536 8.400 0.642 1.00 0.00 O ATOM 0 H ASP A 38 -1.120 7.790 4.448 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.702 5.600 2.750 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.008 8.364 2.536 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.160 7.475 1.580 1.00 0.00 H new ATOM 585 N THR A 39 1.495 6.298 3.352 1.00 0.00 N ATOM 586 CA THR A 39 2.839 5.746 3.369 1.00 0.00 C ATOM 587 C THR A 39 2.902 4.523 4.285 1.00 0.00 C ATOM 588 O THR A 39 3.640 3.576 4.013 1.00 0.00 O ATOM 589 CB THR A 39 3.803 6.862 3.777 1.00 0.00 C ATOM 590 OG1 THR A 39 3.940 7.651 2.598 1.00 0.00 O ATOM 591 CG2 THR A 39 5.218 6.344 4.045 1.00 0.00 C ATOM 0 H THR A 39 1.431 7.273 3.644 1.00 0.00 H new ATOM 0 HA THR A 39 3.132 5.388 2.382 1.00 0.00 H new ATOM 0 HB THR A 39 3.424 7.361 4.669 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.548 8.399 2.774 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.862 7.176 4.331 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.191 5.612 4.852 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.611 5.875 3.143 1.00 0.00 H new ATOM 599 N VAL A 40 2.120 4.582 5.353 1.00 0.00 N ATOM 600 CA VAL A 40 2.077 3.491 6.311 1.00 0.00 C ATOM 601 C VAL A 40 1.233 2.349 5.741 1.00 0.00 C ATOM 602 O VAL A 40 1.606 1.182 5.850 1.00 0.00 O ATOM 603 CB VAL A 40 1.564 3.999 7.660 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.603 2.890 8.714 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.356 5.223 8.122 1.00 0.00 C ATOM 0 H VAL A 40 1.511 5.369 5.576 1.00 0.00 H new ATOM 0 HA VAL A 40 3.078 3.098 6.487 1.00 0.00 H new ATOM 0 HB VAL A 40 0.525 4.302 7.531 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.233 3.277 9.663 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.975 2.059 8.392 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.629 2.542 8.839 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.971 5.564 9.083 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.408 4.958 8.226 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.254 6.021 7.387 1.00 0.00 H new ATOM 615 N GLU A 41 0.111 2.727 5.145 1.00 0.00 N ATOM 616 CA GLU A 41 -0.789 1.749 4.558 1.00 0.00 C ATOM 617 C GLU A 41 -0.078 0.970 3.450 1.00 0.00 C ATOM 618 O GLU A 41 -0.457 -0.157 3.136 1.00 0.00 O ATOM 619 CB GLU A 41 -2.058 2.421 4.028 1.00 0.00 C ATOM 620 CG GLU A 41 -3.082 2.619 5.147 1.00 0.00 C ATOM 621 CD GLU A 41 -4.359 1.824 4.869 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.462 2.290 5.191 1.00 0.00 O ATOM 623 OE2 GLU A 41 -4.176 0.683 4.296 1.00 0.00 O ATOM 0 H GLU A 41 -0.195 3.696 5.056 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.087 1.046 5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.806 3.385 3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.493 1.811 3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.653 2.303 6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.322 3.678 5.242 1.00 0.00 H new ATOM 631 N LEU A 42 0.942 1.602 2.887 1.00 0.00 N ATOM 632 CA LEU A 42 1.710 0.983 1.821 1.00 0.00 C ATOM 633 C LEU A 42 2.658 -0.058 2.420 1.00 0.00 C ATOM 634 O LEU A 42 2.998 -1.043 1.766 1.00 0.00 O ATOM 635 CB LEU A 42 2.418 2.048 0.982 1.00 0.00 C ATOM 636 CG LEU A 42 2.233 1.941 -0.533 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.038 2.773 -1.000 1.00 0.00 C ATOM 638 CD2 LEU A 42 3.519 2.320 -1.271 1.00 0.00 C ATOM 0 H LEU A 42 1.254 2.537 3.150 1.00 0.00 H new ATOM 0 HA LEU A 42 1.050 0.456 1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.066 3.028 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.485 2.005 1.202 1.00 0.00 H new ATOM 0 HG LEU A 42 2.016 0.901 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.929 2.679 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.132 2.414 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.200 3.819 -0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.360 2.235 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.791 3.346 -1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.323 1.649 -0.969 1.00 0.00 H new ATOM 650 N VAL A 43 3.059 0.195 3.657 1.00 0.00 N ATOM 651 CA VAL A 43 3.961 -0.708 4.351 1.00 0.00 C ATOM 652 C VAL A 43 3.155 -1.855 4.964 1.00 0.00 C ATOM 653 O VAL A 43 3.687 -2.942 5.187 1.00 0.00 O ATOM 654 CB VAL A 43 4.782 0.065 5.386 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.984 -0.756 5.857 1.00 0.00 C ATOM 656 CG2 VAL A 43 5.226 1.420 4.831 1.00 0.00 C ATOM 0 H VAL A 43 2.776 1.013 4.197 1.00 0.00 H new ATOM 0 HA VAL A 43 4.673 -1.147 3.653 1.00 0.00 H new ATOM 0 HB VAL A 43 4.144 0.250 6.250 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.550 -0.184 6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.636 -1.684 6.310 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.624 -0.986 5.005 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.808 1.949 5.586 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.839 1.266 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.348 2.011 4.569 1.00 0.00 H new ATOM 666 N MET A 44 1.886 -1.575 5.217 1.00 0.00 N ATOM 667 CA MET A 44 1.002 -2.571 5.800 1.00 0.00 C ATOM 668 C MET A 44 0.229 -3.320 4.713 1.00 0.00 C ATOM 669 O MET A 44 0.003 -4.524 4.825 1.00 0.00 O ATOM 670 CB MET A 44 0.015 -1.885 6.747 1.00 0.00 C ATOM 671 CG MET A 44 0.734 -1.328 7.977 1.00 0.00 C ATOM 672 SD MET A 44 0.653 -2.504 9.318 1.00 0.00 S ATOM 673 CE MET A 44 2.127 -2.052 10.216 1.00 0.00 C ATOM 0 H MET A 44 1.448 -0.673 5.029 1.00 0.00 H new ATOM 0 HA MET A 44 1.608 -3.290 6.351 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.496 -1.077 6.223 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.750 -2.596 7.059 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.774 -1.113 7.734 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.276 -0.386 8.280 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.231 -2.693 11.092 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.998 -2.174 9.572 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.055 -1.012 10.534 1.00 0.00 H new ATOM 683 N ALA A 45 -0.156 -2.577 3.685 1.00 0.00 N ATOM 684 CA ALA A 45 -0.899 -3.156 2.579 1.00 0.00 C ATOM 685 C ALA A 45 -0.067 -4.271 1.940 1.00 0.00 C ATOM 686 O ALA A 45 -0.534 -5.401 1.809 1.00 0.00 O ATOM 687 CB ALA A 45 -1.267 -2.058 1.580 1.00 0.00 C ATOM 0 H ALA A 45 0.033 -1.579 3.595 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.830 -3.600 2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.824 -2.493 0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.881 -1.306 2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.358 -1.591 1.201 1.00 0.00 H new ATOM 693 N LEU A 46 1.150 -3.913 1.559 1.00 0.00 N ATOM 694 CA LEU A 46 2.051 -4.868 0.937 1.00 0.00 C ATOM 695 C LEU A 46 2.394 -5.969 1.943 1.00 0.00 C ATOM 696 O LEU A 46 2.698 -7.096 1.555 1.00 0.00 O ATOM 697 CB LEU A 46 3.277 -4.154 0.365 1.00 0.00 C ATOM 698 CG LEU A 46 3.030 -3.276 -0.863 1.00 0.00 C ATOM 699 CD1 LEU A 46 4.345 -2.932 -1.565 1.00 0.00 C ATOM 700 CD2 LEU A 46 2.027 -3.933 -1.814 1.00 0.00 C ATOM 0 H LEU A 46 1.533 -2.974 1.669 1.00 0.00 H new ATOM 0 HA LEU A 46 1.567 -5.351 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.710 -3.533 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.022 -4.906 0.105 1.00 0.00 H new ATOM 0 HG LEU A 46 2.589 -2.337 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.141 -2.307 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.995 -2.393 -0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.837 -3.850 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.869 -3.288 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.417 -4.896 -2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.080 -4.084 -1.296 1.00 0.00 H new ATOM 712 N GLU A 47 2.333 -5.604 3.215 1.00 0.00 N ATOM 713 CA GLU A 47 2.633 -6.546 4.279 1.00 0.00 C ATOM 714 C GLU A 47 1.493 -7.555 4.432 1.00 0.00 C ATOM 715 O GLU A 47 1.735 -8.750 4.598 1.00 0.00 O ATOM 716 CB GLU A 47 2.901 -5.817 5.598 1.00 0.00 C ATOM 717 CG GLU A 47 4.386 -5.867 5.960 1.00 0.00 C ATOM 718 CD GLU A 47 4.604 -6.606 7.283 1.00 0.00 C ATOM 719 OE1 GLU A 47 3.902 -6.333 8.268 1.00 0.00 O ATOM 720 OE2 GLU A 47 5.540 -7.493 7.264 1.00 0.00 O ATOM 0 H GLU A 47 2.080 -4.668 3.533 1.00 0.00 H new ATOM 0 HA GLU A 47 3.539 -7.089 4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.578 -4.779 5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.313 -6.272 6.395 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.941 -6.365 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.780 -4.853 6.036 1.00 0.00 H new ATOM 728 N GLU A 48 0.275 -7.037 4.371 1.00 0.00 N ATOM 729 CA GLU A 48 -0.903 -7.878 4.501 1.00 0.00 C ATOM 730 C GLU A 48 -1.177 -8.613 3.187 1.00 0.00 C ATOM 731 O GLU A 48 -1.962 -9.560 3.154 1.00 0.00 O ATOM 732 CB GLU A 48 -2.118 -7.056 4.933 1.00 0.00 C ATOM 733 CG GLU A 48 -2.986 -7.838 5.920 1.00 0.00 C ATOM 734 CD GLU A 48 -4.395 -8.050 5.363 1.00 0.00 C ATOM 735 OE1 GLU A 48 -4.592 -8.002 4.140 1.00 0.00 O ATOM 736 OE2 GLU A 48 -5.305 -8.273 6.250 1.00 0.00 O ATOM 0 H GLU A 48 0.078 -6.046 4.233 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.713 -8.619 5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.787 -6.125 5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.709 -6.786 4.058 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.525 -8.803 6.130 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.042 -7.300 6.866 1.00 0.00 H new ATOM 744 N GLU A 49 -0.515 -8.150 2.137 1.00 0.00 N ATOM 745 CA GLU A 49 -0.677 -8.752 0.825 1.00 0.00 C ATOM 746 C GLU A 49 0.261 -9.951 0.671 1.00 0.00 C ATOM 747 O GLU A 49 -0.191 -11.093 0.602 1.00 0.00 O ATOM 748 CB GLU A 49 -0.440 -7.724 -0.283 1.00 0.00 C ATOM 749 CG GLU A 49 -1.461 -7.888 -1.411 1.00 0.00 C ATOM 750 CD GLU A 49 -2.398 -6.681 -1.482 1.00 0.00 C ATOM 751 OE1 GLU A 49 -3.486 -6.705 -0.886 1.00 0.00 O ATOM 752 OE2 GLU A 49 -1.962 -5.692 -2.186 1.00 0.00 O ATOM 0 H GLU A 49 0.135 -7.365 2.168 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.704 -9.106 0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.507 -6.717 0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.568 -7.839 -0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.942 -8.006 -2.362 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.043 -8.796 -1.251 1.00 0.00 H new ATOM 760 N PHE A 50 1.550 -9.650 0.621 1.00 0.00 N ATOM 761 CA PHE A 50 2.556 -10.689 0.477 1.00 0.00 C ATOM 762 C PHE A 50 3.705 -10.481 1.466 1.00 0.00 C ATOM 763 O PHE A 50 4.852 -10.809 1.168 1.00 0.00 O ATOM 764 CB PHE A 50 3.102 -10.587 -0.949 1.00 0.00 C ATOM 765 CG PHE A 50 2.553 -11.651 -1.902 1.00 0.00 C ATOM 766 CD1 PHE A 50 3.131 -12.881 -1.954 1.00 0.00 C ATOM 767 CD2 PHE A 50 1.488 -11.366 -2.698 1.00 0.00 C ATOM 768 CE1 PHE A 50 2.621 -13.868 -2.839 1.00 0.00 C ATOM 769 CE2 PHE A 50 0.978 -12.352 -3.583 1.00 0.00 C ATOM 770 CZ PHE A 50 1.556 -13.583 -3.635 1.00 0.00 C ATOM 0 H PHE A 50 1.921 -8.702 0.678 1.00 0.00 H new ATOM 0 HA PHE A 50 2.114 -11.665 0.675 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.867 -9.600 -1.348 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.189 -10.667 -0.918 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.977 -13.107 -1.323 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.030 -10.389 -2.657 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.079 -14.845 -2.880 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.132 -12.125 -4.215 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.169 -14.333 -4.308 1.00 0.00 H new ATOM 780 N ASP A 51 3.356 -9.938 2.623 1.00 0.00 N ATOM 781 CA ASP A 51 4.344 -9.683 3.658 1.00 0.00 C ATOM 782 C ASP A 51 5.629 -9.162 3.013 1.00 0.00 C ATOM 783 O ASP A 51 6.711 -9.693 3.260 1.00 0.00 O ATOM 784 CB ASP A 51 4.684 -10.964 4.422 1.00 0.00 C ATOM 785 CG ASP A 51 5.464 -10.754 5.721 1.00 0.00 C ATOM 786 OD1 ASP A 51 4.995 -10.072 6.645 1.00 0.00 O ATOM 787 OD2 ASP A 51 6.616 -11.333 5.765 1.00 0.00 O ATOM 0 H ASP A 51 2.403 -9.668 2.867 1.00 0.00 H new ATOM 0 HA ASP A 51 3.927 -8.951 4.349 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.757 -11.488 4.653 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.264 -11.616 3.769 1.00 0.00 H new ATOM 793 N THR A 52 5.468 -8.129 2.198 1.00 0.00 N ATOM 794 CA THR A 52 6.602 -7.531 1.516 1.00 0.00 C ATOM 795 C THR A 52 7.173 -6.376 2.342 1.00 0.00 C ATOM 796 O THR A 52 8.340 -6.017 2.191 1.00 0.00 O ATOM 797 CB THR A 52 6.145 -7.110 0.118 1.00 0.00 C ATOM 798 OG1 THR A 52 6.849 -7.988 -0.757 1.00 0.00 O ATOM 799 CG2 THR A 52 6.647 -5.717 -0.268 1.00 0.00 C ATOM 0 H THR A 52 4.569 -7.692 1.995 1.00 0.00 H new ATOM 0 HA THR A 52 7.418 -8.245 1.406 1.00 0.00 H new ATOM 0 HB THR A 52 5.056 -7.129 0.072 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.610 -7.785 -1.686 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.294 -5.468 -1.269 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.268 -4.984 0.444 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.737 -5.706 -0.254 1.00 0.00 H new ATOM 807 N GLU A 53 6.323 -5.826 3.196 1.00 0.00 N ATOM 808 CA GLU A 53 6.728 -4.719 4.046 1.00 0.00 C ATOM 809 C GLU A 53 7.600 -3.738 3.260 1.00 0.00 C ATOM 810 O GLU A 53 8.822 -3.880 3.223 1.00 0.00 O ATOM 811 CB GLU A 53 7.458 -5.223 5.293 1.00 0.00 C ATOM 812 CG GLU A 53 8.294 -6.464 4.975 1.00 0.00 C ATOM 813 CD GLU A 53 8.943 -7.027 6.241 1.00 0.00 C ATOM 814 OE1 GLU A 53 9.473 -6.261 7.059 1.00 0.00 O ATOM 815 OE2 GLU A 53 8.882 -8.310 6.360 1.00 0.00 O ATOM 0 H GLU A 53 5.356 -6.126 3.318 1.00 0.00 H new ATOM 0 HA GLU A 53 5.832 -4.194 4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.103 -4.436 5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.734 -5.458 6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.662 -7.225 4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.066 -6.211 4.248 1.00 0.00 H new ATOM 823 N ILE A 54 6.939 -2.764 2.652 1.00 0.00 N ATOM 824 CA ILE A 54 7.639 -1.760 1.869 1.00 0.00 C ATOM 825 C ILE A 54 8.287 -0.745 2.812 1.00 0.00 C ATOM 826 O ILE A 54 7.683 -0.340 3.804 1.00 0.00 O ATOM 827 CB ILE A 54 6.697 -1.130 0.841 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.463 -0.692 -0.409 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.902 0.022 1.459 1.00 0.00 C ATOM 830 CD1 ILE A 54 6.505 -0.399 -1.565 1.00 0.00 C ATOM 0 H ILE A 54 5.926 -2.649 2.686 1.00 0.00 H new ATOM 0 HA ILE A 54 8.442 -2.218 1.292 1.00 0.00 H new ATOM 0 HB ILE A 54 5.977 -1.887 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.052 0.198 -0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.164 -1.473 -0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.240 0.452 0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.309 -0.352 2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.590 0.788 1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.075 -0.090 -2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.935 -1.297 -1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.821 0.399 -1.277 1.00 0.00 H new ATOM 842 N PRO A 55 9.541 -0.352 2.461 1.00 0.00 N ATOM 843 CA PRO A 55 10.278 0.608 3.265 1.00 0.00 C ATOM 844 C PRO A 55 9.739 2.025 3.057 1.00 0.00 C ATOM 845 O PRO A 55 8.667 2.207 2.481 1.00 0.00 O ATOM 846 CB PRO A 55 11.727 0.454 2.831 1.00 0.00 C ATOM 847 CG PRO A 55 11.686 -0.248 1.484 1.00 0.00 C ATOM 848 CD PRO A 55 10.288 -0.811 1.293 1.00 0.00 C ATOM 0 HA PRO A 55 10.175 0.428 4.335 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.216 1.425 2.751 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.293 -0.129 3.558 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.929 0.450 0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.427 -1.046 1.447 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.838 -0.449 0.368 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.304 -1.899 1.236 1.00 0.00 H new ATOM 856 N ASP A 56 10.507 2.992 3.537 1.00 0.00 N ATOM 857 CA ASP A 56 10.120 4.387 3.412 1.00 0.00 C ATOM 858 C ASP A 56 10.960 5.048 2.317 1.00 0.00 C ATOM 859 O ASP A 56 10.631 6.138 1.851 1.00 0.00 O ATOM 860 CB ASP A 56 10.364 5.146 4.718 1.00 0.00 C ATOM 861 CG ASP A 56 9.137 5.858 5.291 1.00 0.00 C ATOM 862 OD1 ASP A 56 9.139 7.084 5.478 1.00 0.00 O ATOM 863 OD2 ASP A 56 8.134 5.090 5.552 1.00 0.00 O ATOM 0 H ASP A 56 11.396 2.837 4.013 1.00 0.00 H new ATOM 0 HA ASP A 56 9.058 4.422 3.168 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.740 4.445 5.463 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.148 5.884 4.551 1.00 0.00 H new ATOM 869 N GLU A 57 12.027 4.360 1.938 1.00 0.00 N ATOM 870 CA GLU A 57 12.916 4.867 0.907 1.00 0.00 C ATOM 871 C GLU A 57 12.359 4.543 -0.481 1.00 0.00 C ATOM 872 O GLU A 57 12.074 5.446 -1.266 1.00 0.00 O ATOM 873 CB GLU A 57 14.329 4.304 1.075 1.00 0.00 C ATOM 874 CG GLU A 57 15.235 5.304 1.797 1.00 0.00 C ATOM 875 CD GLU A 57 15.669 4.765 3.161 1.00 0.00 C ATOM 876 OE1 GLU A 57 14.966 3.931 3.751 1.00 0.00 O ATOM 877 OE2 GLU A 57 16.781 5.243 3.608 1.00 0.00 O ATOM 0 H GLU A 57 12.296 3.456 2.326 1.00 0.00 H new ATOM 0 HA GLU A 57 12.977 5.950 1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.288 3.372 1.638 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.749 4.067 0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.114 5.510 1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.708 6.250 1.926 1.00 0.00 H new ATOM 885 N GLU A 58 12.220 3.251 -0.741 1.00 0.00 N ATOM 886 CA GLU A 58 11.702 2.797 -2.020 1.00 0.00 C ATOM 887 C GLU A 58 10.243 3.227 -2.185 1.00 0.00 C ATOM 888 O GLU A 58 9.749 3.343 -3.305 1.00 0.00 O ATOM 889 CB GLU A 58 11.846 1.280 -2.162 1.00 0.00 C ATOM 890 CG GLU A 58 12.781 0.924 -3.320 1.00 0.00 C ATOM 891 CD GLU A 58 14.204 1.414 -3.045 1.00 0.00 C ATOM 892 OE1 GLU A 58 14.683 1.319 -1.905 1.00 0.00 O ATOM 893 OE2 GLU A 58 14.818 1.906 -4.067 1.00 0.00 O ATOM 0 H GLU A 58 12.457 2.505 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 58 12.289 3.261 -2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.234 0.860 -1.234 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.866 0.832 -2.330 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.787 -0.156 -3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.410 1.371 -4.242 1.00 0.00 H new ATOM 901 N ALA A 59 9.594 3.451 -1.051 1.00 0.00 N ATOM 902 CA ALA A 59 8.201 3.866 -1.056 1.00 0.00 C ATOM 903 C ALA A 59 8.088 5.250 -1.700 1.00 0.00 C ATOM 904 O ALA A 59 7.187 5.494 -2.501 1.00 0.00 O ATOM 905 CB ALA A 59 7.656 3.841 0.373 1.00 0.00 C ATOM 0 H ALA A 59 10.007 3.353 -0.123 1.00 0.00 H new ATOM 0 HA ALA A 59 7.597 3.177 -1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.611 4.152 0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.732 2.830 0.774 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.236 4.523 0.995 1.00 0.00 H new ATOM 911 N GLU A 60 9.015 6.119 -1.325 1.00 0.00 N ATOM 912 CA GLU A 60 9.030 7.472 -1.855 1.00 0.00 C ATOM 913 C GLU A 60 9.179 7.443 -3.378 1.00 0.00 C ATOM 914 O GLU A 60 8.506 8.192 -4.085 1.00 0.00 O ATOM 915 CB GLU A 60 10.143 8.301 -1.211 1.00 0.00 C ATOM 916 CG GLU A 60 9.658 8.960 0.082 1.00 0.00 C ATOM 917 CD GLU A 60 10.604 10.083 0.513 1.00 0.00 C ATOM 918 OE1 GLU A 60 10.529 11.197 -0.025 1.00 0.00 O ATOM 919 OE2 GLU A 60 11.438 9.765 1.444 1.00 0.00 O ATOM 0 H GLU A 60 9.761 5.913 -0.661 1.00 0.00 H new ATOM 0 HA GLU A 60 8.080 7.948 -1.611 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.000 7.662 -0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.481 9.067 -1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.655 9.361 -0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.591 8.213 0.873 1.00 0.00 H new ATOM 927 N LYS A 61 10.064 6.571 -3.838 1.00 0.00 N ATOM 928 CA LYS A 61 10.310 6.435 -5.263 1.00 0.00 C ATOM 929 C LYS A 61 9.289 5.466 -5.862 1.00 0.00 C ATOM 930 O LYS A 61 9.400 5.081 -7.025 1.00 0.00 O ATOM 931 CB LYS A 61 11.764 6.034 -5.521 1.00 0.00 C ATOM 932 CG LYS A 61 12.443 7.019 -6.475 1.00 0.00 C ATOM 933 CD LYS A 61 13.124 6.282 -7.630 1.00 0.00 C ATOM 934 CE LYS A 61 14.067 7.213 -8.395 1.00 0.00 C ATOM 935 NZ LYS A 61 14.021 6.920 -9.845 1.00 0.00 N ATOM 0 H LYS A 61 10.620 5.951 -3.248 1.00 0.00 H new ATOM 0 HA LYS A 61 10.175 7.393 -5.766 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.309 6.002 -4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.799 5.030 -5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.704 7.717 -6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.180 7.609 -5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.683 5.430 -7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.369 5.886 -8.309 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.785 8.251 -8.219 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.085 7.092 -8.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.667 7.561 -10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.312 5.935 -10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.052 7.058 -10.196 1.00 0.00 H new ATOM 948 N ILE A 62 8.317 5.098 -5.040 1.00 0.00 N ATOM 949 CA ILE A 62 7.278 4.180 -5.474 1.00 0.00 C ATOM 950 C ILE A 62 5.915 4.708 -5.021 1.00 0.00 C ATOM 951 O ILE A 62 4.949 3.952 -4.935 1.00 0.00 O ATOM 952 CB ILE A 62 7.579 2.761 -4.988 1.00 0.00 C ATOM 953 CG1 ILE A 62 8.883 2.239 -5.595 1.00 0.00 C ATOM 954 CG2 ILE A 62 6.402 1.824 -5.268 1.00 0.00 C ATOM 955 CD1 ILE A 62 9.344 0.962 -4.889 1.00 0.00 C ATOM 0 H ILE A 62 8.227 5.419 -4.076 1.00 0.00 H new ATOM 0 HA ILE A 62 7.253 4.121 -6.562 1.00 0.00 H new ATOM 0 HB ILE A 62 7.716 2.792 -3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.740 2.040 -6.657 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.657 3.003 -5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.642 0.822 -4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.515 2.189 -4.751 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.209 1.792 -6.340 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.273 0.612 -5.340 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.510 1.170 -3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.579 0.193 -4.992 1.00 0.00 H new ATOM 967 N THR A 63 5.881 6.003 -4.742 1.00 0.00 N ATOM 968 CA THR A 63 4.653 6.642 -4.300 1.00 0.00 C ATOM 969 C THR A 63 3.504 6.303 -5.251 1.00 0.00 C ATOM 970 O THR A 63 2.510 5.704 -4.840 1.00 0.00 O ATOM 971 CB THR A 63 4.918 8.144 -4.179 1.00 0.00 C ATOM 972 OG1 THR A 63 5.451 8.506 -5.450 1.00 0.00 O ATOM 973 CG2 THR A 63 6.049 8.462 -3.198 1.00 0.00 C ATOM 0 H THR A 63 6.685 6.627 -4.814 1.00 0.00 H new ATOM 0 HA THR A 63 4.345 6.272 -3.322 1.00 0.00 H new ATOM 0 HB THR A 63 4.006 8.648 -3.859 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.650 9.466 -5.460 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.196 9.541 -3.150 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.789 8.087 -2.208 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.969 7.985 -3.536 1.00 0.00 H new ATOM 981 N THR A 64 3.677 6.699 -6.503 1.00 0.00 N ATOM 982 CA THR A 64 2.666 6.445 -7.515 1.00 0.00 C ATOM 983 C THR A 64 2.037 5.066 -7.306 1.00 0.00 C ATOM 984 O THR A 64 2.642 4.191 -6.689 1.00 0.00 O ATOM 985 CB THR A 64 3.319 6.613 -8.888 1.00 0.00 C ATOM 986 OG1 THR A 64 4.606 6.021 -8.735 1.00 0.00 O ATOM 987 CG2 THR A 64 3.618 8.076 -9.219 1.00 0.00 C ATOM 0 H THR A 64 4.503 7.194 -6.840 1.00 0.00 H new ATOM 0 HA THR A 64 1.844 7.157 -7.441 1.00 0.00 H new ATOM 0 HB THR A 64 2.666 6.194 -9.654 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.098 6.085 -9.580 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.081 8.139 -10.204 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.689 8.647 -9.217 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.297 8.487 -8.472 1.00 0.00 H new ATOM 995 N VAL A 65 0.830 4.915 -7.832 1.00 0.00 N ATOM 996 CA VAL A 65 0.113 3.658 -7.710 1.00 0.00 C ATOM 997 C VAL A 65 0.728 2.631 -8.663 1.00 0.00 C ATOM 998 O VAL A 65 0.780 1.442 -8.351 1.00 0.00 O ATOM 999 CB VAL A 65 -1.381 3.881 -7.956 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.069 2.580 -8.372 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.054 4.488 -6.723 1.00 0.00 C ATOM 0 H VAL A 65 0.331 5.643 -8.344 1.00 0.00 H new ATOM 0 HA VAL A 65 0.207 3.262 -6.699 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.483 4.590 -8.777 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.130 2.767 -8.540 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.616 2.206 -9.290 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.952 1.838 -7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.115 4.637 -6.924 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.936 3.813 -5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.591 5.447 -6.491 1.00 0.00 H new ATOM 1011 N GLN A 66 1.178 3.126 -9.806 1.00 0.00 N ATOM 1012 CA GLN A 66 1.787 2.267 -10.807 1.00 0.00 C ATOM 1013 C GLN A 66 3.109 1.699 -10.285 1.00 0.00 C ATOM 1014 O GLN A 66 3.451 0.553 -10.569 1.00 0.00 O ATOM 1015 CB GLN A 66 1.994 3.018 -12.123 1.00 0.00 C ATOM 1016 CG GLN A 66 2.586 2.098 -13.193 1.00 0.00 C ATOM 1017 CD GLN A 66 1.529 1.711 -14.229 1.00 0.00 C ATOM 1018 OE1 GLN A 66 0.740 0.800 -14.037 1.00 0.00 O ATOM 1019 NE2 GLN A 66 1.558 2.450 -15.334 1.00 0.00 N ATOM 0 H GLN A 66 1.133 4.112 -10.062 1.00 0.00 H new ATOM 0 HA GLN A 66 1.110 1.436 -11.005 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.042 3.420 -12.470 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.658 3.867 -11.961 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.419 2.598 -13.687 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.987 1.199 -12.724 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.245 3.198 -15.430 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.893 2.269 -16.086 1.00 0.00 H new ATOM 1028 N ALA A 67 3.815 2.529 -9.532 1.00 0.00 N ATOM 1029 CA ALA A 67 5.092 2.125 -8.968 1.00 0.00 C ATOM 1030 C ALA A 67 4.860 1.028 -7.926 1.00 0.00 C ATOM 1031 O ALA A 67 5.803 0.365 -7.498 1.00 0.00 O ATOM 1032 CB ALA A 67 5.801 3.346 -8.380 1.00 0.00 C ATOM 0 H ALA A 67 3.527 3.479 -9.299 1.00 0.00 H new ATOM 0 HA ALA A 67 5.740 1.714 -9.742 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.759 3.042 -7.957 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.969 4.083 -9.166 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.182 3.785 -7.598 1.00 0.00 H new ATOM 1038 N ALA A 68 3.600 0.871 -7.550 1.00 0.00 N ATOM 1039 CA ALA A 68 3.232 -0.134 -6.567 1.00 0.00 C ATOM 1040 C ALA A 68 2.812 -1.417 -7.287 1.00 0.00 C ATOM 1041 O ALA A 68 2.455 -2.404 -6.647 1.00 0.00 O ATOM 1042 CB ALA A 68 2.127 0.416 -5.663 1.00 0.00 C ATOM 0 H ALA A 68 2.821 1.423 -7.908 1.00 0.00 H new ATOM 0 HA ALA A 68 4.083 -0.377 -5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.851 -0.338 -4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.486 1.309 -5.152 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.255 0.669 -6.267 1.00 0.00 H new ATOM 1048 N ILE A 69 2.869 -1.360 -8.610 1.00 0.00 N ATOM 1049 CA ILE A 69 2.498 -2.505 -9.425 1.00 0.00 C ATOM 1050 C ILE A 69 3.765 -3.182 -9.950 1.00 0.00 C ATOM 1051 O ILE A 69 3.830 -4.408 -10.031 1.00 0.00 O ATOM 1052 CB ILE A 69 1.523 -2.085 -10.526 1.00 0.00 C ATOM 1053 CG1 ILE A 69 0.396 -1.219 -9.960 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.986 -3.305 -11.277 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.107 -1.776 -8.627 1.00 0.00 C ATOM 0 H ILE A 69 3.166 -0.539 -9.138 1.00 0.00 H new ATOM 0 HA ILE A 69 1.966 -3.244 -8.826 1.00 0.00 H new ATOM 0 HB ILE A 69 2.066 -1.475 -11.248 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.752 -0.198 -9.821 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.427 -1.175 -10.673 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.295 -2.979 -12.054 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.815 -3.846 -11.733 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.464 -3.961 -10.580 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.908 -1.142 -8.247 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.485 -2.788 -8.775 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.712 -1.796 -7.909 1.00 0.00 H new ATOM 1067 N ASP A 70 4.741 -2.355 -10.294 1.00 0.00 N ATOM 1068 CA ASP A 70 6.003 -2.859 -10.810 1.00 0.00 C ATOM 1069 C ASP A 70 6.688 -3.702 -9.733 1.00 0.00 C ATOM 1070 O ASP A 70 7.285 -4.735 -10.035 1.00 0.00 O ATOM 1071 CB ASP A 70 6.944 -1.711 -11.182 1.00 0.00 C ATOM 1072 CG ASP A 70 7.167 -1.520 -12.684 1.00 0.00 C ATOM 1073 OD1 ASP A 70 6.342 -1.936 -13.511 1.00 0.00 O ATOM 1074 OD2 ASP A 70 8.257 -0.905 -12.998 1.00 0.00 O ATOM 0 H ASP A 70 4.684 -1.339 -10.226 1.00 0.00 H new ATOM 0 HA ASP A 70 5.791 -3.453 -11.699 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.545 -0.785 -10.768 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.909 -1.883 -10.705 1.00 0.00 H new ATOM 1080 N TYR A 71 6.581 -3.231 -8.500 1.00 0.00 N ATOM 1081 CA TYR A 71 7.183 -3.928 -7.376 1.00 0.00 C ATOM 1082 C TYR A 71 6.357 -5.156 -6.986 1.00 0.00 C ATOM 1083 O TYR A 71 6.897 -6.134 -6.472 1.00 0.00 O ATOM 1084 CB TYR A 71 7.180 -2.935 -6.212 1.00 0.00 C ATOM 1085 CG TYR A 71 8.427 -3.007 -5.330 1.00 0.00 C ATOM 1086 CD1 TYR A 71 9.647 -2.594 -5.824 1.00 0.00 C ATOM 1087 CD2 TYR A 71 8.332 -3.486 -4.039 1.00 0.00 C ATOM 1088 CE1 TYR A 71 10.822 -2.662 -4.994 1.00 0.00 C ATOM 1089 CE2 TYR A 71 9.507 -3.554 -3.208 1.00 0.00 C ATOM 1090 CZ TYR A 71 10.693 -3.138 -3.726 1.00 0.00 C ATOM 1091 OH TYR A 71 11.802 -3.202 -2.942 1.00 0.00 O ATOM 0 H TYR A 71 6.086 -2.374 -8.254 1.00 0.00 H new ATOM 0 HA TYR A 71 8.186 -4.270 -7.630 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.087 -1.925 -6.610 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.300 -3.117 -5.595 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.721 -2.219 -6.834 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.377 -3.810 -3.652 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.783 -2.343 -5.369 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.447 -3.927 -2.196 1.00 0.00 H new ATOM 0 HH TYR A 71 11.561 -3.560 -2.062 1.00 0.00 H new ATOM 1101 N ILE A 72 5.061 -5.064 -7.246 1.00 0.00 N ATOM 1102 CA ILE A 72 4.155 -6.154 -6.929 1.00 0.00 C ATOM 1103 C ILE A 72 4.195 -7.189 -8.055 1.00 0.00 C ATOM 1104 O ILE A 72 4.055 -8.386 -7.808 1.00 0.00 O ATOM 1105 CB ILE A 72 2.752 -5.618 -6.636 1.00 0.00 C ATOM 1106 CG1 ILE A 72 2.764 -4.682 -5.426 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.751 -6.763 -6.466 1.00 0.00 C ATOM 1108 CD1 ILE A 72 2.954 -5.468 -4.127 1.00 0.00 C ATOM 0 H ILE A 72 4.617 -4.251 -7.673 1.00 0.00 H new ATOM 0 HA ILE A 72 4.474 -6.661 -6.018 1.00 0.00 H new ATOM 0 HB ILE A 72 2.425 -5.030 -7.494 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.566 -3.952 -5.534 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.829 -4.124 -5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.762 -6.354 -6.259 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.715 -7.354 -7.381 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.062 -7.398 -5.637 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.959 -4.779 -3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.137 -6.180 -4.010 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.902 -6.006 -4.162 1.00 0.00 H new ATOM 1120 N ASN A 73 4.387 -6.690 -9.267 1.00 0.00 N ATOM 1121 CA ASN A 73 4.447 -7.557 -10.432 1.00 0.00 C ATOM 1122 C ASN A 73 5.591 -8.558 -10.259 1.00 0.00 C ATOM 1123 O ASN A 73 5.646 -9.569 -10.957 1.00 0.00 O ATOM 1124 CB ASN A 73 4.712 -6.750 -11.705 1.00 0.00 C ATOM 1125 CG ASN A 73 3.571 -6.919 -12.709 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.356 -7.979 -13.273 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.852 -5.816 -12.901 1.00 0.00 N ATOM 0 H ASN A 73 4.503 -5.697 -9.468 1.00 0.00 H new ATOM 0 HA ASN A 73 3.489 -8.069 -10.522 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.827 -5.696 -11.454 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.650 -7.074 -12.157 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.067 -5.826 -13.553 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.085 -4.961 -12.396 1.00 0.00 H new ATOM 1134 N GLY A 74 6.475 -8.241 -9.325 1.00 0.00 N ATOM 1135 CA GLY A 74 7.615 -9.100 -9.051 1.00 0.00 C ATOM 1136 C GLY A 74 7.232 -10.231 -8.094 1.00 0.00 C ATOM 1137 O GLY A 74 7.990 -11.184 -7.918 1.00 0.00 O ATOM 0 H GLY A 74 6.425 -7.401 -8.748 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.991 -9.520 -9.984 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.423 -8.511 -8.618 1.00 0.00 H new ATOM 1141 N HIS A 75 6.056 -10.088 -7.500 1.00 0.00 N ATOM 1142 CA HIS A 75 5.563 -11.085 -6.566 1.00 0.00 C ATOM 1143 C HIS A 75 5.174 -12.354 -7.327 1.00 0.00 C ATOM 1144 O HIS A 75 5.642 -13.444 -7.002 1.00 0.00 O ATOM 1145 CB HIS A 75 4.415 -10.522 -5.726 1.00 0.00 C ATOM 1146 CG HIS A 75 3.079 -11.172 -5.997 1.00 0.00 C ATOM 1147 ND1 HIS A 75 2.883 -12.540 -5.923 1.00 0.00 N ATOM 1148 CD2 HIS A 75 1.877 -10.629 -6.342 1.00 0.00 C ATOM 1149 CE1 HIS A 75 1.616 -12.797 -6.213 1.00 0.00 C ATOM 1150 NE2 HIS A 75 0.994 -11.611 -6.473 1.00 0.00 N ATOM 0 H HIS A 75 5.430 -9.296 -7.648 1.00 0.00 H new ATOM 0 HA HIS A 75 6.353 -11.352 -5.864 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.658 -10.642 -4.670 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.332 -9.452 -5.914 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.677 -9.577 -6.485 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.156 -13.774 -6.239 1.00 0.00 H new ATOM 0 HE2 HIS A 75 0.012 -11.498 -6.726 1.00 0.00 H new ATOM 1158 N GLN A 76 4.322 -12.169 -8.324 1.00 0.00 N ATOM 1159 CA GLN A 76 3.865 -13.286 -9.134 1.00 0.00 C ATOM 1160 C GLN A 76 5.015 -13.831 -9.984 1.00 0.00 C ATOM 1161 O GLN A 76 6.152 -13.376 -9.862 1.00 0.00 O ATOM 1162 CB GLN A 76 2.681 -12.878 -10.012 1.00 0.00 C ATOM 1163 CG GLN A 76 3.159 -12.232 -11.314 1.00 0.00 C ATOM 1164 CD GLN A 76 2.254 -11.065 -11.713 1.00 0.00 C ATOM 1165 OE1 GLN A 76 2.865 -9.885 -11.722 1.00 0.00 O flip ATOM 1166 NE2 GLN A 76 1.077 -11.226 -11.993 1.00 0.00 N flip ATOM 0 H GLN A 76 3.936 -11.263 -8.590 1.00 0.00 H new ATOM 0 HA GLN A 76 3.525 -14.078 -8.467 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.073 -13.754 -10.239 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.044 -12.180 -9.468 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.183 -11.878 -11.194 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.171 -12.976 -12.110 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.670 -12.161 -11.966 1.00 0.00 H new ATOM 0 HE22 GLN A 76 0.501 -10.426 -12.254 1.00 0.00 H new ATOM 1175 N ALA A 77 4.680 -14.798 -10.826 1.00 0.00 N ATOM 1176 CA ALA A 77 5.670 -15.410 -11.695 1.00 0.00 C ATOM 1177 C ALA A 77 4.962 -16.085 -12.871 1.00 0.00 C ATOM 1178 O ALA A 77 4.531 -15.416 -13.809 1.00 0.00 O ATOM 1179 CB ALA A 77 6.524 -16.389 -10.888 1.00 0.00 C ATOM 0 H ALA A 77 3.736 -15.173 -10.925 1.00 0.00 H new ATOM 0 HA ALA A 77 6.341 -14.654 -12.104 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.267 -16.848 -11.541 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.029 -15.854 -10.084 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.886 -17.164 -10.463 1.00 0.00 H new TER 1185 ALA A 77