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 52 THR OG1 : rot -114:sc= 1.28 USER MOD Set 1.2: A 71 TYR OH : rot -29:sc= 0.533 USER MOD Set 1.3: A 75 HIS : no HE2:sc= 0.208 K(o=2,f=0.86) USER MOD Single : A 1 SER N :NH3+ -125:sc= 0.136 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.029 USER MOD Single : A 8 LYS NZ :NH3+ 172:sc= 0.567 (180deg=0.518) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.927 K(o=-0.93,f=-5.6!) USER MOD Single : A 14 GLN : amide:sc= -5.36! C(o=-5.4!,f=-6.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.46) USER MOD Single : A 23 THR OG1 : rot 180:sc= -2.15! USER MOD Single : A 24 ASN : amide:sc= -1.99 K(o=-2,f=-4.3!) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 27 SER OG : rot 180:sc= -1.41 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 150:sc= -0.857 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -7:sc= -0.219 USER MOD Single : A 64 THR OG1 : rot -84:sc= 0.857 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.0234 X(o=-0.023,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.228 -12.304 -8.977 1.00 0.00 N ATOM 2 CA SER A 1 -2.615 -13.038 -7.785 1.00 0.00 C ATOM 3 C SER A 1 -3.606 -12.213 -6.961 1.00 0.00 C ATOM 4 O SER A 1 -4.009 -11.127 -7.375 1.00 0.00 O ATOM 5 CB SER A 1 -1.393 -13.399 -6.938 1.00 0.00 C ATOM 6 OG SER A 1 -0.584 -14.391 -7.565 1.00 0.00 O ATOM 0 H1 SER A 1 -2.413 -12.886 -9.819 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.779 -11.424 -9.037 1.00 0.00 H new ATOM 0 H3 SER A 1 -1.214 -12.076 -8.930 1.00 0.00 H new ATOM 0 HA SER A 1 -3.094 -13.966 -8.096 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.797 -12.504 -6.761 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.721 -13.761 -5.964 1.00 0.00 H new ATOM 0 HG SER A 1 0.187 -14.593 -6.994 1.00 0.00 H new ATOM 12 N THR A 2 -3.970 -12.760 -5.811 1.00 0.00 N ATOM 13 CA THR A 2 -4.906 -12.088 -4.925 1.00 0.00 C ATOM 14 C THR A 2 -4.155 -11.205 -3.927 1.00 0.00 C ATOM 15 O THR A 2 -4.518 -11.143 -2.753 1.00 0.00 O ATOM 16 CB THR A 2 -5.776 -13.156 -4.259 1.00 0.00 C ATOM 17 OG1 THR A 2 -4.839 -14.019 -3.622 1.00 0.00 O ATOM 18 CG2 THR A 2 -6.481 -14.056 -5.276 1.00 0.00 C ATOM 0 H THR A 2 -3.634 -13.661 -5.472 1.00 0.00 H new ATOM 0 HA THR A 2 -5.561 -11.414 -5.478 1.00 0.00 H new ATOM 0 HB THR A 2 -6.520 -12.674 -3.625 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.318 -14.741 -3.163 1.00 0.00 H new ATOM 0 HG21 THR A 2 -7.085 -14.796 -4.750 1.00 0.00 H new ATOM 0 HG22 THR A 2 -7.124 -13.450 -5.914 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.737 -14.564 -5.889 1.00 0.00 H new ATOM 26 N ILE A 3 -3.123 -10.545 -4.429 1.00 0.00 N ATOM 27 CA ILE A 3 -2.318 -9.668 -3.595 1.00 0.00 C ATOM 28 C ILE A 3 -2.458 -8.228 -4.093 1.00 0.00 C ATOM 29 O ILE A 3 -2.764 -7.326 -3.314 1.00 0.00 O ATOM 30 CB ILE A 3 -0.870 -10.161 -3.541 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.203 -9.758 -2.224 1.00 0.00 C ATOM 32 CG2 ILE A 3 -0.079 -9.675 -4.756 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.153 -8.270 -2.223 1.00 0.00 C ATOM 0 H ILE A 3 -2.825 -10.599 -5.403 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.676 -9.687 -2.566 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.879 -11.250 -3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.872 -9.976 -1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.699 -10.351 -2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.946 -10.040 -4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.543 -10.053 -5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.076 -8.585 -4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.626 -8.010 -1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.841 -8.060 -3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.754 -7.679 -2.351 1.00 0.00 H new ATOM 45 N GLU A 4 -2.228 -8.057 -5.386 1.00 0.00 N ATOM 46 CA GLU A 4 -2.325 -6.742 -5.996 1.00 0.00 C ATOM 47 C GLU A 4 -3.779 -6.265 -6.002 1.00 0.00 C ATOM 48 O GLU A 4 -4.048 -5.079 -5.818 1.00 0.00 O ATOM 49 CB GLU A 4 -1.746 -6.750 -7.412 1.00 0.00 C ATOM 50 CG GLU A 4 -2.244 -7.963 -8.201 1.00 0.00 C ATOM 51 CD GLU A 4 -2.153 -7.712 -9.708 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.077 -7.359 -10.214 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.251 -7.898 -10.359 1.00 0.00 O ATOM 0 H GLU A 4 -1.975 -8.808 -6.029 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.736 -6.044 -5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.029 -5.834 -7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.657 -6.765 -7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.652 -8.840 -7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.276 -8.181 -7.927 1.00 0.00 H new ATOM 61 N GLU A 5 -4.679 -7.215 -6.214 1.00 0.00 N ATOM 62 CA GLU A 5 -6.099 -6.907 -6.245 1.00 0.00 C ATOM 63 C GLU A 5 -6.619 -6.654 -4.828 1.00 0.00 C ATOM 64 O GLU A 5 -7.647 -6.005 -4.648 1.00 0.00 O ATOM 65 CB GLU A 5 -6.888 -8.027 -6.927 1.00 0.00 C ATOM 66 CG GLU A 5 -6.551 -9.387 -6.312 1.00 0.00 C ATOM 67 CD GLU A 5 -7.607 -10.431 -6.682 1.00 0.00 C ATOM 68 OE1 GLU A 5 -8.294 -10.959 -5.795 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.700 -10.690 -7.942 1.00 0.00 O ATOM 0 H GLU A 5 -4.452 -8.198 -6.366 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.241 -5.999 -6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.957 -7.835 -6.831 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.661 -8.040 -7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.572 -9.715 -6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.489 -9.295 -5.228 1.00 0.00 H new ATOM 77 N ARG A 6 -5.883 -7.180 -3.860 1.00 0.00 N ATOM 78 CA ARG A 6 -6.257 -7.019 -2.465 1.00 0.00 C ATOM 79 C ARG A 6 -5.561 -5.795 -1.867 1.00 0.00 C ATOM 80 O ARG A 6 -6.122 -5.116 -1.007 1.00 0.00 O ATOM 81 CB ARG A 6 -5.885 -8.259 -1.649 1.00 0.00 C ATOM 82 CG ARG A 6 -6.985 -9.319 -1.730 1.00 0.00 C ATOM 83 CD ARG A 6 -6.900 -10.289 -0.550 1.00 0.00 C ATOM 84 NE ARG A 6 -7.021 -9.547 0.725 1.00 0.00 N ATOM 85 CZ ARG A 6 -6.861 -10.106 1.944 1.00 0.00 C ATOM 86 NH1 ARG A 6 -6.572 -11.419 2.063 1.00 0.00 N ATOM 87 NH2 ARG A 6 -6.992 -9.348 3.017 1.00 0.00 N ATOM 0 H ARG A 6 -5.030 -7.718 -4.014 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.338 -6.882 -2.424 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.947 -8.674 -2.019 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.721 -7.978 -0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.962 -8.835 -1.738 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.895 -9.871 -2.666 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.692 -11.034 -0.623 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.953 -10.827 -0.579 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.239 -8.552 0.680 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.473 -11.997 1.228 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.453 -11.833 2.987 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.211 -8.357 2.918 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.875 -9.754 3.945 1.00 0.00 H new ATOM 100 N VAL A 7 -4.350 -5.550 -2.344 1.00 0.00 N ATOM 101 CA VAL A 7 -3.572 -4.420 -1.867 1.00 0.00 C ATOM 102 C VAL A 7 -4.455 -3.171 -1.845 1.00 0.00 C ATOM 103 O VAL A 7 -4.449 -2.419 -0.872 1.00 0.00 O ATOM 104 CB VAL A 7 -2.317 -4.249 -2.725 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.689 -2.871 -2.510 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.305 -5.362 -2.444 1.00 0.00 C ATOM 0 H VAL A 7 -3.888 -6.115 -3.056 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.231 -4.595 -0.847 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.614 -4.322 -3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.799 -2.776 -3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.407 -2.097 -2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.413 -2.756 -1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.422 -5.217 -3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.016 -5.334 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.755 -6.329 -2.671 1.00 0.00 H new ATOM 116 N LYS A 8 -5.194 -2.989 -2.930 1.00 0.00 N ATOM 117 CA LYS A 8 -6.081 -1.844 -3.048 1.00 0.00 C ATOM 118 C LYS A 8 -6.890 -1.696 -1.757 1.00 0.00 C ATOM 119 O LYS A 8 -7.089 -0.585 -1.269 1.00 0.00 O ATOM 120 CB LYS A 8 -6.946 -1.963 -4.305 1.00 0.00 C ATOM 121 CG LYS A 8 -6.487 -0.976 -5.380 1.00 0.00 C ATOM 122 CD LYS A 8 -5.379 -1.582 -6.244 1.00 0.00 C ATOM 123 CE LYS A 8 -5.961 -2.266 -7.482 1.00 0.00 C ATOM 124 NZ LYS A 8 -5.001 -3.250 -8.030 1.00 0.00 N ATOM 0 H LYS A 8 -5.197 -3.615 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.505 -0.927 -3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.892 -2.980 -4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.989 -1.773 -4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.333 -0.699 -6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.127 -0.061 -4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.683 -0.801 -6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.811 -2.305 -5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.895 -2.765 -7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.198 -1.519 -8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.460 -3.800 -8.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.176 -2.751 -8.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.692 -3.892 -7.273 1.00 0.00 H new ATOM 137 N LYS A 9 -7.334 -2.833 -1.242 1.00 0.00 N ATOM 138 CA LYS A 9 -8.117 -2.843 -0.017 1.00 0.00 C ATOM 139 C LYS A 9 -7.252 -2.340 1.140 1.00 0.00 C ATOM 140 O LYS A 9 -7.641 -1.419 1.856 1.00 0.00 O ATOM 141 CB LYS A 9 -8.718 -4.230 0.222 1.00 0.00 C ATOM 142 CG LYS A 9 -10.219 -4.135 0.503 1.00 0.00 C ATOM 143 CD LYS A 9 -10.734 -5.413 1.169 1.00 0.00 C ATOM 144 CE LYS A 9 -12.205 -5.272 1.563 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.647 -6.446 2.348 1.00 0.00 N ATOM 0 H LYS A 9 -7.167 -3.753 -1.650 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.965 -2.163 -0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.547 -4.860 -0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.216 -4.708 1.063 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.419 -3.279 1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.757 -3.964 -0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.616 -6.255 0.488 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.136 -5.632 2.054 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.345 -4.363 2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.819 -5.174 0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.648 -6.334 2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.532 -7.308 1.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.072 -6.523 3.212 1.00 0.00 H new ATOM 158 N ILE A 10 -6.094 -2.968 1.288 1.00 0.00 N ATOM 159 CA ILE A 10 -5.171 -2.595 2.346 1.00 0.00 C ATOM 160 C ILE A 10 -5.007 -1.074 2.362 1.00 0.00 C ATOM 161 O ILE A 10 -5.136 -0.443 3.410 1.00 0.00 O ATOM 162 CB ILE A 10 -3.851 -3.354 2.198 1.00 0.00 C ATOM 163 CG1 ILE A 10 -4.001 -4.808 2.653 1.00 0.00 C ATOM 164 CG2 ILE A 10 -2.719 -2.636 2.936 1.00 0.00 C ATOM 165 CD1 ILE A 10 -2.750 -5.620 2.312 1.00 0.00 C ATOM 0 H ILE A 10 -5.775 -3.732 0.693 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.571 -2.883 3.318 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.584 -3.373 1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.178 -4.840 3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.871 -5.255 2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.792 -3.197 2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.594 -1.635 2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.963 -2.564 3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.882 -6.649 2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.590 -5.606 1.234 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.886 -5.184 2.813 1.00 0.00 H new ATOM 177 N ILE A 11 -4.724 -0.529 1.188 1.00 0.00 N ATOM 178 CA ILE A 11 -4.541 0.906 1.053 1.00 0.00 C ATOM 179 C ILE A 11 -5.899 1.602 1.166 1.00 0.00 C ATOM 180 O ILE A 11 -5.985 2.728 1.654 1.00 0.00 O ATOM 181 CB ILE A 11 -3.789 1.231 -0.239 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.551 0.345 -0.390 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.441 2.720 -0.311 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.343 0.965 0.316 1.00 0.00 C ATOM 0 H ILE A 11 -4.617 -1.056 0.321 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.918 1.288 1.862 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.446 1.013 -1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.753 -0.642 0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.326 0.205 -1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.907 2.924 -1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.357 3.310 -0.282 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.811 2.988 0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.477 0.315 0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.129 1.941 -0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.562 1.081 1.377 1.00 0.00 H new ATOM 196 N GLY A 12 -6.927 0.903 0.706 1.00 0.00 N ATOM 197 CA GLY A 12 -8.276 1.439 0.749 1.00 0.00 C ATOM 198 C GLY A 12 -8.780 1.541 2.190 1.00 0.00 C ATOM 199 O GLY A 12 -9.651 2.356 2.491 1.00 0.00 O ATOM 0 H GLY A 12 -6.852 -0.030 0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.295 2.424 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.944 0.800 0.171 1.00 0.00 H new ATOM 203 N GLN A 13 -8.210 0.703 3.043 1.00 0.00 N ATOM 204 CA GLN A 13 -8.591 0.688 4.445 1.00 0.00 C ATOM 205 C GLN A 13 -7.523 1.385 5.292 1.00 0.00 C ATOM 206 O GLN A 13 -7.810 2.369 5.971 1.00 0.00 O ATOM 207 CB GLN A 13 -8.831 -0.742 4.934 1.00 0.00 C ATOM 208 CG GLN A 13 -10.310 -0.972 5.251 1.00 0.00 C ATOM 209 CD GLN A 13 -10.809 0.029 6.295 1.00 0.00 C ATOM 210 OE1 GLN A 13 -10.064 0.838 6.823 1.00 0.00 O ATOM 211 NE2 GLN A 13 -12.108 -0.070 6.562 1.00 0.00 N ATOM 0 H GLN A 13 -7.487 0.029 2.790 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.528 1.235 4.552 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.504 -1.450 4.173 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.231 -0.931 5.824 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.900 -0.877 4.339 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.453 -1.988 5.619 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.675 -0.770 6.084 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.537 0.554 7.245 1.00 0.00 H new ATOM 220 N GLN A 14 -6.315 0.846 5.224 1.00 0.00 N ATOM 221 CA GLN A 14 -5.204 1.403 5.976 1.00 0.00 C ATOM 222 C GLN A 14 -5.232 2.931 5.910 1.00 0.00 C ATOM 223 O GLN A 14 -5.416 3.597 6.928 1.00 0.00 O ATOM 224 CB GLN A 14 -3.868 0.856 5.467 1.00 0.00 C ATOM 225 CG GLN A 14 -3.712 -0.624 5.819 1.00 0.00 C ATOM 226 CD GLN A 14 -3.702 -0.829 7.335 1.00 0.00 C ATOM 227 OE1 GLN A 14 -4.712 -0.713 8.010 1.00 0.00 O ATOM 228 NE2 GLN A 14 -2.507 -1.139 7.832 1.00 0.00 N ATOM 0 H GLN A 14 -6.081 0.029 4.660 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.309 1.102 7.018 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.806 0.985 4.386 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.048 1.426 5.903 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.529 -1.195 5.377 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.786 -1.008 5.390 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.702 -1.220 7.211 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.396 -1.295 8.834 1.00 0.00 H new ATOM 237 N LEU A 15 -5.046 3.443 4.702 1.00 0.00 N ATOM 238 CA LEU A 15 -5.047 4.881 4.491 1.00 0.00 C ATOM 239 C LEU A 15 -6.436 5.437 4.811 1.00 0.00 C ATOM 240 O LEU A 15 -6.568 6.593 5.210 1.00 0.00 O ATOM 241 CB LEU A 15 -4.561 5.215 3.079 1.00 0.00 C ATOM 242 CG LEU A 15 -3.323 4.455 2.599 1.00 0.00 C ATOM 243 CD1 LEU A 15 -2.445 5.341 1.713 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.543 3.874 3.780 1.00 0.00 C ATOM 0 H LEU A 15 -4.894 2.888 3.860 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.345 5.367 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.375 5.022 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.348 6.283 3.032 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.654 3.615 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.572 4.777 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.016 5.664 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.121 6.214 2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.668 3.339 3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.223 4.682 4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.181 3.186 4.335 1.00 0.00 H new ATOM 256 N GLY A 16 -7.436 4.589 4.623 1.00 0.00 N ATOM 257 CA GLY A 16 -8.810 4.982 4.887 1.00 0.00 C ATOM 258 C GLY A 16 -9.405 5.731 3.693 1.00 0.00 C ATOM 259 O GLY A 16 -9.594 6.945 3.748 1.00 0.00 O ATOM 0 H GLY A 16 -7.323 3.631 4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.410 4.098 5.102 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.847 5.615 5.773 1.00 0.00 H new ATOM 263 N VAL A 17 -9.683 4.975 2.640 1.00 0.00 N ATOM 264 CA VAL A 17 -10.253 5.552 1.435 1.00 0.00 C ATOM 265 C VAL A 17 -11.355 4.632 0.906 1.00 0.00 C ATOM 266 O VAL A 17 -11.524 3.515 1.393 1.00 0.00 O ATOM 267 CB VAL A 17 -9.149 5.814 0.408 1.00 0.00 C ATOM 268 CG1 VAL A 17 -9.578 6.885 -0.597 1.00 0.00 C ATOM 269 CG2 VAL A 17 -7.840 6.201 1.097 1.00 0.00 C ATOM 0 H VAL A 17 -9.524 3.968 2.597 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.712 6.516 1.653 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.977 4.889 -0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.776 7.052 -1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.473 6.553 -1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.792 7.814 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.072 6.382 0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.992 7.106 1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.521 5.391 1.753 1.00 0.00 H new ATOM 279 N LYS A 18 -12.078 5.136 -0.084 1.00 0.00 N ATOM 280 CA LYS A 18 -13.159 4.373 -0.684 1.00 0.00 C ATOM 281 C LYS A 18 -12.573 3.317 -1.624 1.00 0.00 C ATOM 282 O LYS A 18 -11.363 3.279 -1.842 1.00 0.00 O ATOM 283 CB LYS A 18 -14.164 5.308 -1.360 1.00 0.00 C ATOM 284 CG LYS A 18 -15.024 6.032 -0.323 1.00 0.00 C ATOM 285 CD LYS A 18 -14.304 7.268 0.221 1.00 0.00 C ATOM 286 CE LYS A 18 -14.085 7.156 1.731 1.00 0.00 C ATOM 287 NZ LYS A 18 -15.272 7.650 2.464 1.00 0.00 N ATOM 0 H LYS A 18 -11.936 6.063 -0.485 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.720 3.840 0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.633 6.038 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.803 4.736 -2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.971 6.328 -0.774 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.259 5.354 0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.344 7.384 -0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.889 8.161 0.000 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.890 6.118 2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.206 7.731 2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.107 7.567 3.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.441 8.647 2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.103 7.084 2.200 1.00 0.00 H new ATOM 300 N GLN A 19 -13.458 2.487 -2.155 1.00 0.00 N ATOM 301 CA GLN A 19 -13.044 1.433 -3.066 1.00 0.00 C ATOM 302 C GLN A 19 -13.319 1.845 -4.513 1.00 0.00 C ATOM 303 O GLN A 19 -13.941 1.098 -5.267 1.00 0.00 O ATOM 304 CB GLN A 19 -13.739 0.113 -2.729 1.00 0.00 C ATOM 305 CG GLN A 19 -15.260 0.280 -2.721 1.00 0.00 C ATOM 306 CD GLN A 19 -15.788 0.417 -1.291 1.00 0.00 C ATOM 307 OE1 GLN A 19 -15.434 -0.333 -0.397 1.00 0.00 O ATOM 308 NE2 GLN A 19 -16.653 1.414 -1.128 1.00 0.00 N ATOM 0 H GLN A 19 -14.461 2.523 -1.972 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.971 1.279 -2.951 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.457 -0.647 -3.458 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.403 -0.240 -1.754 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.536 1.161 -3.301 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.726 -0.578 -3.204 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.906 2.004 -1.920 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.064 1.588 -0.211 1.00 0.00 H new ATOM 317 N GLU A 20 -12.842 3.032 -4.858 1.00 0.00 N ATOM 318 CA GLU A 20 -13.029 3.552 -6.202 1.00 0.00 C ATOM 319 C GLU A 20 -11.832 4.413 -6.610 1.00 0.00 C ATOM 320 O GLU A 20 -11.257 4.217 -7.679 1.00 0.00 O ATOM 321 CB GLU A 20 -14.334 4.342 -6.308 1.00 0.00 C ATOM 322 CG GLU A 20 -15.473 3.455 -6.815 1.00 0.00 C ATOM 323 CD GLU A 20 -16.490 4.272 -7.614 1.00 0.00 C ATOM 324 OE1 GLU A 20 -17.527 4.678 -7.067 1.00 0.00 O ATOM 325 OE2 GLU A 20 -16.173 4.483 -8.847 1.00 0.00 O ATOM 0 H GLU A 20 -12.326 3.649 -4.230 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.096 2.709 -6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.595 4.753 -5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.198 5.187 -6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.068 2.659 -7.441 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.969 2.976 -5.971 1.00 0.00 H new ATOM 333 N GLU A 21 -11.492 5.348 -5.735 1.00 0.00 N ATOM 334 CA GLU A 21 -10.374 6.241 -5.990 1.00 0.00 C ATOM 335 C GLU A 21 -9.049 5.500 -5.798 1.00 0.00 C ATOM 336 O GLU A 21 -8.050 5.833 -6.433 1.00 0.00 O ATOM 337 CB GLU A 21 -10.444 7.478 -5.094 1.00 0.00 C ATOM 338 CG GLU A 21 -11.771 8.216 -5.281 1.00 0.00 C ATOM 339 CD GLU A 21 -11.636 9.332 -6.320 1.00 0.00 C ATOM 340 OE1 GLU A 21 -11.322 10.477 -5.962 1.00 0.00 O ATOM 341 OE2 GLU A 21 -11.870 8.975 -7.537 1.00 0.00 O ATOM 0 H GLU A 21 -11.971 5.507 -4.849 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.433 6.579 -7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.332 7.183 -4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.616 8.147 -5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.541 7.512 -5.596 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.094 8.637 -4.329 1.00 0.00 H new ATOM 349 N VAL A 22 -9.084 4.509 -4.919 1.00 0.00 N ATOM 350 CA VAL A 22 -7.898 3.718 -4.636 1.00 0.00 C ATOM 351 C VAL A 22 -7.545 2.878 -5.865 1.00 0.00 C ATOM 352 O VAL A 22 -7.867 1.692 -5.925 1.00 0.00 O ATOM 353 CB VAL A 22 -8.120 2.874 -3.379 1.00 0.00 C ATOM 354 CG1 VAL A 22 -7.064 1.773 -3.264 1.00 0.00 C ATOM 355 CG2 VAL A 22 -8.137 3.751 -2.126 1.00 0.00 C ATOM 0 H VAL A 22 -9.915 4.236 -4.394 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.047 4.367 -4.430 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.095 2.395 -3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.245 1.188 -2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.121 1.122 -4.136 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.073 2.224 -3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.296 3.127 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.184 4.272 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.943 4.481 -2.204 1.00 0.00 H new ATOM 365 N THR A 23 -6.887 3.526 -6.815 1.00 0.00 N ATOM 366 CA THR A 23 -6.486 2.854 -8.039 1.00 0.00 C ATOM 367 C THR A 23 -5.063 2.308 -7.907 1.00 0.00 C ATOM 368 O THR A 23 -4.566 2.122 -6.797 1.00 0.00 O ATOM 369 CB THR A 23 -6.653 3.840 -9.197 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.648 4.822 -8.964 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.965 4.623 -9.114 1.00 0.00 C ATOM 0 H THR A 23 -6.622 4.509 -6.762 1.00 0.00 H new ATOM 0 HA THR A 23 -7.116 1.987 -8.238 1.00 0.00 H new ATOM 0 HB THR A 23 -6.612 3.300 -10.143 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.684 5.501 -9.670 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.034 5.308 -9.959 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.805 3.929 -9.140 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.992 5.190 -8.184 1.00 0.00 H new ATOM 379 N ASN A 24 -4.446 2.067 -9.054 1.00 0.00 N ATOM 380 CA ASN A 24 -3.090 1.546 -9.081 1.00 0.00 C ATOM 381 C ASN A 24 -2.103 2.712 -9.170 1.00 0.00 C ATOM 382 O ASN A 24 -1.100 2.737 -8.459 1.00 0.00 O ATOM 383 CB ASN A 24 -2.869 0.645 -10.297 1.00 0.00 C ATOM 384 CG ASN A 24 -3.339 1.332 -11.581 1.00 0.00 C ATOM 385 OD1 ASN A 24 -2.653 2.158 -12.160 1.00 0.00 O ATOM 386 ND2 ASN A 24 -4.543 0.945 -11.992 1.00 0.00 N ATOM 0 H ASN A 24 -4.861 2.223 -9.973 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.933 0.967 -8.171 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.812 0.394 -10.381 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.409 -0.292 -10.163 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.945 1.345 -12.840 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.064 0.248 -11.459 1.00 0.00 H new ATOM 393 N ASN A 25 -2.421 3.649 -10.051 1.00 0.00 N ATOM 394 CA ASN A 25 -1.575 4.814 -10.244 1.00 0.00 C ATOM 395 C ASN A 25 -2.136 5.986 -9.436 1.00 0.00 C ATOM 396 O ASN A 25 -2.303 7.085 -9.963 1.00 0.00 O ATOM 397 CB ASN A 25 -1.536 5.230 -11.715 1.00 0.00 C ATOM 398 CG ASN A 25 -0.237 5.970 -12.042 1.00 0.00 C ATOM 399 OD1 ASN A 25 0.360 6.628 -11.205 1.00 0.00 O ATOM 400 ND2 ASN A 25 0.165 5.827 -13.301 1.00 0.00 N ATOM 0 H ASN A 25 -3.254 3.625 -10.640 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.568 4.557 -9.916 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.625 4.348 -12.349 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.389 5.870 -11.938 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.021 6.283 -13.618 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.382 5.262 -13.950 1.00 0.00 H new ATOM 407 N ALA A 26 -2.413 5.712 -8.170 1.00 0.00 N ATOM 408 CA ALA A 26 -2.953 6.729 -7.284 1.00 0.00 C ATOM 409 C ALA A 26 -1.888 7.125 -6.259 1.00 0.00 C ATOM 410 O ALA A 26 -1.394 6.279 -5.515 1.00 0.00 O ATOM 411 CB ALA A 26 -4.231 6.207 -6.625 1.00 0.00 C ATOM 0 H ALA A 26 -2.273 4.799 -7.736 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.219 7.625 -7.846 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.636 6.970 -5.960 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.966 5.969 -7.394 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.003 5.309 -6.050 1.00 0.00 H new ATOM 417 N SER A 27 -1.565 8.410 -6.254 1.00 0.00 N ATOM 418 CA SER A 27 -0.567 8.927 -5.333 1.00 0.00 C ATOM 419 C SER A 27 -1.253 9.587 -4.136 1.00 0.00 C ATOM 420 O SER A 27 -1.305 10.813 -4.044 1.00 0.00 O ATOM 421 CB SER A 27 0.361 9.924 -6.030 1.00 0.00 C ATOM 422 OG SER A 27 0.714 9.497 -7.342 1.00 0.00 O ATOM 0 H SER A 27 -1.977 9.108 -6.873 1.00 0.00 H new ATOM 0 HA SER A 27 0.040 8.093 -4.981 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.127 10.897 -6.085 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.265 10.054 -5.436 1.00 0.00 H new ATOM 0 HG SER A 27 1.305 10.161 -7.754 1.00 0.00 H new ATOM 428 N PHE A 28 -1.763 8.746 -3.248 1.00 0.00 N ATOM 429 CA PHE A 28 -2.443 9.233 -2.060 1.00 0.00 C ATOM 430 C PHE A 28 -1.751 10.479 -1.504 1.00 0.00 C ATOM 431 O PHE A 28 -2.413 11.404 -1.036 1.00 0.00 O ATOM 432 CB PHE A 28 -2.375 8.116 -1.016 1.00 0.00 C ATOM 433 CG PHE A 28 -1.111 7.258 -1.106 1.00 0.00 C ATOM 434 CD1 PHE A 28 0.070 7.735 -0.630 1.00 0.00 C ATOM 435 CD2 PHE A 28 -1.170 6.018 -1.661 1.00 0.00 C ATOM 436 CE1 PHE A 28 1.243 6.938 -0.713 1.00 0.00 C ATOM 437 CE2 PHE A 28 0.003 5.221 -1.744 1.00 0.00 C ATOM 438 CZ PHE A 28 1.184 5.698 -1.268 1.00 0.00 C ATOM 0 H PHE A 28 -1.719 7.730 -3.328 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.471 9.500 -2.303 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.432 8.558 -0.021 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.248 7.473 -1.129 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.116 8.720 -0.189 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.108 5.639 -2.039 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.181 7.317 -0.335 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.043 4.236 -2.185 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.076 5.092 -1.331 1.00 0.00 H new ATOM 448 N VAL A 29 -0.428 10.462 -1.573 1.00 0.00 N ATOM 449 CA VAL A 29 0.361 11.579 -1.082 1.00 0.00 C ATOM 450 C VAL A 29 -0.330 12.891 -1.460 1.00 0.00 C ATOM 451 O VAL A 29 -0.999 13.506 -0.632 1.00 0.00 O ATOM 452 CB VAL A 29 1.792 11.482 -1.612 1.00 0.00 C ATOM 453 CG1 VAL A 29 2.673 10.663 -0.667 1.00 0.00 C ATOM 454 CG2 VAL A 29 1.815 10.898 -3.026 1.00 0.00 C ATOM 0 H VAL A 29 0.117 9.693 -1.961 1.00 0.00 H new ATOM 0 HA VAL A 29 0.430 11.550 0.005 1.00 0.00 H new ATOM 0 HB VAL A 29 2.200 12.492 -1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.685 10.610 -1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.695 11.139 0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.267 9.656 -0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.845 10.840 -3.379 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.379 9.899 -3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.238 11.538 -3.693 1.00 0.00 H new ATOM 464 N GLU A 30 -0.143 13.281 -2.713 1.00 0.00 N ATOM 465 CA GLU A 30 -0.739 14.508 -3.211 1.00 0.00 C ATOM 466 C GLU A 30 -2.219 14.287 -3.533 1.00 0.00 C ATOM 467 O GLU A 30 -3.084 14.983 -3.002 1.00 0.00 O ATOM 468 CB GLU A 30 0.016 15.027 -4.436 1.00 0.00 C ATOM 469 CG GLU A 30 -0.642 16.292 -4.992 1.00 0.00 C ATOM 470 CD GLU A 30 -1.612 15.952 -6.125 1.00 0.00 C ATOM 471 OE1 GLU A 30 -2.830 15.886 -5.899 1.00 0.00 O ATOM 472 OE2 GLU A 30 -1.061 15.755 -7.274 1.00 0.00 O ATOM 0 H GLU A 30 0.413 12.768 -3.397 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.666 15.266 -2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.051 15.240 -4.167 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.039 14.256 -5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.175 16.809 -4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.125 16.975 -5.358 1.00 0.00 H new ATOM 480 N ASP A 31 -2.464 13.316 -4.400 1.00 0.00 N ATOM 481 CA ASP A 31 -3.824 12.995 -4.798 1.00 0.00 C ATOM 482 C ASP A 31 -4.741 13.072 -3.576 1.00 0.00 C ATOM 483 O ASP A 31 -5.572 13.973 -3.474 1.00 0.00 O ATOM 484 CB ASP A 31 -3.912 11.577 -5.366 1.00 0.00 C ATOM 485 CG ASP A 31 -3.328 11.405 -6.769 1.00 0.00 C ATOM 486 OD1 ASP A 31 -2.103 11.320 -6.946 1.00 0.00 O ATOM 487 OD2 ASP A 31 -4.198 11.358 -7.720 1.00 0.00 O ATOM 0 H ASP A 31 -1.744 12.741 -4.838 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.128 13.710 -5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.395 10.898 -4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.959 11.274 -5.385 1.00 0.00 H new ATOM 493 N LEU A 32 -4.559 12.115 -2.678 1.00 0.00 N ATOM 494 CA LEU A 32 -5.359 12.063 -1.466 1.00 0.00 C ATOM 495 C LEU A 32 -4.615 12.780 -0.338 1.00 0.00 C ATOM 496 O LEU A 32 -4.447 13.998 -0.376 1.00 0.00 O ATOM 497 CB LEU A 32 -5.735 10.618 -1.134 1.00 0.00 C ATOM 498 CG LEU A 32 -6.568 9.882 -2.186 1.00 0.00 C ATOM 499 CD1 LEU A 32 -6.085 8.441 -2.358 1.00 0.00 C ATOM 500 CD2 LEU A 32 -8.059 9.951 -1.850 1.00 0.00 C ATOM 0 H LEU A 32 -3.869 11.369 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.303 12.588 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.817 10.054 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.287 10.614 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.430 10.384 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.694 7.941 -3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.043 8.442 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.174 7.912 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.629 9.421 -2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.235 9.489 -0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.377 10.993 -1.819 1.00 0.00 H new ATOM 512 N GLY A 33 -4.190 11.994 0.640 1.00 0.00 N ATOM 513 CA GLY A 33 -3.468 12.539 1.777 1.00 0.00 C ATOM 514 C GLY A 33 -2.918 11.421 2.665 1.00 0.00 C ATOM 515 O GLY A 33 -3.574 10.998 3.616 1.00 0.00 O ATOM 0 H GLY A 33 -4.332 10.984 0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.648 13.165 1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.130 13.179 2.360 1.00 0.00 H new ATOM 519 N ALA A 34 -1.719 10.973 2.322 1.00 0.00 N ATOM 520 CA ALA A 34 -1.073 9.911 3.076 1.00 0.00 C ATOM 521 C ALA A 34 -0.369 10.512 4.294 1.00 0.00 C ATOM 522 O ALA A 34 0.806 10.239 4.533 1.00 0.00 O ATOM 523 CB ALA A 34 -0.111 9.149 2.163 1.00 0.00 C ATOM 0 H ALA A 34 -1.178 11.326 1.533 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.810 9.196 3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.373 8.353 2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.665 8.717 1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.646 9.833 1.779 1.00 0.00 H new ATOM 529 N ASP A 35 -1.117 11.320 5.032 1.00 0.00 N ATOM 530 CA ASP A 35 -0.579 11.962 6.219 1.00 0.00 C ATOM 531 C ASP A 35 -1.244 11.366 7.461 1.00 0.00 C ATOM 532 O ASP A 35 -1.617 12.094 8.380 1.00 0.00 O ATOM 533 CB ASP A 35 -0.860 13.465 6.207 1.00 0.00 C ATOM 534 CG ASP A 35 0.191 14.315 5.490 1.00 0.00 C ATOM 535 OD1 ASP A 35 0.164 14.459 4.259 1.00 0.00 O ATOM 536 OD2 ASP A 35 1.078 14.848 6.260 1.00 0.00 O ATOM 0 H ASP A 35 -2.091 11.544 4.830 1.00 0.00 H new ATOM 0 HA ASP A 35 0.498 11.797 6.233 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.827 13.635 5.733 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.944 13.812 7.237 1.00 0.00 H new ATOM 542 N SER A 36 -1.372 10.047 7.450 1.00 0.00 N ATOM 543 CA SER A 36 -1.985 9.345 8.564 1.00 0.00 C ATOM 544 C SER A 36 -2.040 7.844 8.271 1.00 0.00 C ATOM 545 O SER A 36 -2.679 7.419 7.310 1.00 0.00 O ATOM 546 CB SER A 36 -3.390 9.882 8.848 1.00 0.00 C ATOM 547 OG SER A 36 -3.618 10.069 10.242 1.00 0.00 O ATOM 0 H SER A 36 -1.061 9.446 6.687 1.00 0.00 H new ATOM 0 HA SER A 36 -1.375 9.513 9.451 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.528 10.830 8.328 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.131 9.189 8.449 1.00 0.00 H new ATOM 0 HG SER A 36 -4.525 10.414 10.382 1.00 0.00 H new ATOM 553 N LEU A 37 -1.362 7.083 9.117 1.00 0.00 N ATOM 554 CA LEU A 37 -1.326 5.639 8.961 1.00 0.00 C ATOM 555 C LEU A 37 -1.127 5.295 7.483 1.00 0.00 C ATOM 556 O LEU A 37 -1.558 4.239 7.024 1.00 0.00 O ATOM 557 CB LEU A 37 -2.573 5.002 9.577 1.00 0.00 C ATOM 558 CG LEU A 37 -3.604 5.971 10.158 1.00 0.00 C ATOM 559 CD1 LEU A 37 -4.914 5.249 10.481 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.040 6.707 11.375 1.00 0.00 C ATOM 0 H LEU A 37 -0.833 7.439 9.913 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.480 5.218 9.504 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.062 4.397 8.814 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.256 4.322 10.368 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.829 6.724 9.402 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.630 5.961 10.893 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.322 4.810 9.570 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.725 4.461 11.210 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.793 7.390 11.769 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.768 5.984 12.144 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.156 7.273 11.081 1.00 0.00 H new ATOM 572 N ASP A 38 -0.472 6.207 6.779 1.00 0.00 N ATOM 573 CA ASP A 38 -0.211 6.014 5.363 1.00 0.00 C ATOM 574 C ASP A 38 0.687 4.789 5.177 1.00 0.00 C ATOM 575 O ASP A 38 0.198 3.692 4.910 1.00 0.00 O ATOM 576 CB ASP A 38 0.511 7.224 4.766 1.00 0.00 C ATOM 577 CG ASP A 38 1.399 7.995 5.745 1.00 0.00 C ATOM 578 OD1 ASP A 38 1.039 8.189 6.916 1.00 0.00 O ATOM 579 OD2 ASP A 38 2.517 8.411 5.256 1.00 0.00 O ATOM 0 H ASP A 38 -0.114 7.082 7.163 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.168 5.880 4.859 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.125 6.886 3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.234 7.908 4.358 1.00 0.00 H new ATOM 585 N THR A 39 1.983 5.017 5.326 1.00 0.00 N ATOM 586 CA THR A 39 2.953 3.945 5.178 1.00 0.00 C ATOM 587 C THR A 39 2.985 3.077 6.437 1.00 0.00 C ATOM 588 O THR A 39 2.921 1.851 6.353 1.00 0.00 O ATOM 589 CB THR A 39 4.306 4.575 4.840 1.00 0.00 C ATOM 590 OG1 THR A 39 4.501 4.260 3.464 1.00 0.00 O ATOM 591 CG2 THR A 39 5.469 3.880 5.550 1.00 0.00 C ATOM 0 H THR A 39 2.384 5.928 5.548 1.00 0.00 H new ATOM 0 HA THR A 39 2.679 3.273 4.365 1.00 0.00 H new ATOM 0 HB THR A 39 4.293 5.630 5.112 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.034 4.965 3.039 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.405 4.366 5.276 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.328 3.946 6.629 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.503 2.832 5.252 1.00 0.00 H new ATOM 599 N VAL A 40 3.084 3.746 7.576 1.00 0.00 N ATOM 600 CA VAL A 40 3.126 3.051 8.852 1.00 0.00 C ATOM 601 C VAL A 40 2.127 1.893 8.829 1.00 0.00 C ATOM 602 O VAL A 40 2.521 0.729 8.775 1.00 0.00 O ATOM 603 CB VAL A 40 2.871 4.038 9.994 1.00 0.00 C ATOM 604 CG1 VAL A 40 2.681 3.302 11.321 1.00 0.00 C ATOM 605 CG2 VAL A 40 4.001 5.064 10.093 1.00 0.00 C ATOM 0 H VAL A 40 3.136 4.762 7.642 1.00 0.00 H new ATOM 0 HA VAL A 40 4.115 2.625 9.023 1.00 0.00 H new ATOM 0 HB VAL A 40 1.949 4.576 9.774 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.501 4.026 12.116 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.828 2.628 11.244 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.578 2.727 11.550 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.796 5.753 10.912 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.944 4.550 10.279 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.070 5.621 9.158 1.00 0.00 H new ATOM 615 N GLU A 41 0.852 2.252 8.871 1.00 0.00 N ATOM 616 CA GLU A 41 -0.207 1.256 8.856 1.00 0.00 C ATOM 617 C GLU A 41 -0.015 0.296 7.681 1.00 0.00 C ATOM 618 O GLU A 41 0.030 -0.919 7.868 1.00 0.00 O ATOM 619 CB GLU A 41 -1.584 1.921 8.802 1.00 0.00 C ATOM 620 CG GLU A 41 -2.464 1.455 9.963 1.00 0.00 C ATOM 621 CD GLU A 41 -3.948 1.593 9.616 1.00 0.00 C ATOM 622 OE1 GLU A 41 -4.291 2.200 8.591 1.00 0.00 O ATOM 623 OE2 GLU A 41 -4.757 1.042 10.455 1.00 0.00 O ATOM 0 H GLU A 41 0.528 3.218 8.915 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.153 0.682 9.781 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.470 3.004 8.839 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.069 1.684 7.855 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.238 0.416 10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.239 2.042 10.853 1.00 0.00 H new ATOM 631 N LEU A 42 0.092 0.876 6.494 1.00 0.00 N ATOM 632 CA LEU A 42 0.278 0.087 5.289 1.00 0.00 C ATOM 633 C LEU A 42 1.224 -1.077 5.587 1.00 0.00 C ATOM 634 O LEU A 42 0.960 -2.213 5.194 1.00 0.00 O ATOM 635 CB LEU A 42 0.741 0.976 4.133 1.00 0.00 C ATOM 636 CG LEU A 42 1.334 0.249 2.924 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.495 1.200 1.737 1.00 0.00 C ATOM 638 CD2 LEU A 42 2.651 -0.439 3.290 1.00 0.00 C ATOM 0 H LEU A 42 0.053 1.884 6.342 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.669 -0.347 4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.108 1.570 3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.486 1.674 4.514 1.00 0.00 H new ATOM 0 HG LEU A 42 0.637 -0.531 2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.918 0.658 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.521 1.603 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.160 2.018 2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.051 -0.948 2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.367 0.307 3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.474 -1.166 4.082 1.00 0.00 H new ATOM 650 N VAL A 43 2.307 -0.755 6.280 1.00 0.00 N ATOM 651 CA VAL A 43 3.294 -1.761 6.636 1.00 0.00 C ATOM 652 C VAL A 43 2.582 -2.985 7.214 1.00 0.00 C ATOM 653 O VAL A 43 2.625 -4.066 6.628 1.00 0.00 O ATOM 654 CB VAL A 43 4.328 -1.163 7.592 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.493 -2.130 7.813 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.827 0.191 7.083 1.00 0.00 C ATOM 0 H VAL A 43 2.523 0.188 6.604 1.00 0.00 H new ATOM 0 HA VAL A 43 3.840 -2.091 5.752 1.00 0.00 H new ATOM 0 HB VAL A 43 3.841 -1.000 8.554 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.214 -1.681 8.496 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.118 -3.060 8.241 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.978 -2.339 6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.561 0.594 7.781 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.289 0.064 6.104 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.987 0.881 7.001 1.00 0.00 H new ATOM 666 N MET A 44 1.945 -2.775 8.357 1.00 0.00 N ATOM 667 CA MET A 44 1.226 -3.849 9.020 1.00 0.00 C ATOM 668 C MET A 44 0.378 -4.640 8.022 1.00 0.00 C ATOM 669 O MET A 44 0.513 -5.858 7.916 1.00 0.00 O ATOM 670 CB MET A 44 0.321 -3.263 10.106 1.00 0.00 C ATOM 671 CG MET A 44 1.149 -2.690 11.259 1.00 0.00 C ATOM 672 SD MET A 44 2.054 -3.998 12.069 1.00 0.00 S ATOM 673 CE MET A 44 3.369 -3.049 12.815 1.00 0.00 C ATOM 0 H MET A 44 1.912 -1.877 8.840 1.00 0.00 H new ATOM 0 HA MET A 44 1.954 -4.526 9.467 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.305 -2.480 9.679 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.348 -4.036 10.483 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.841 -1.937 10.882 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.495 -2.192 11.975 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.033 -3.716 13.365 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.934 -2.536 12.037 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.945 -2.315 13.500 1.00 0.00 H new ATOM 683 N ALA A 45 -0.477 -3.916 7.316 1.00 0.00 N ATOM 684 CA ALA A 45 -1.346 -4.535 6.330 1.00 0.00 C ATOM 685 C ALA A 45 -0.497 -5.324 5.331 1.00 0.00 C ATOM 686 O ALA A 45 -0.556 -6.552 5.295 1.00 0.00 O ATOM 687 CB ALA A 45 -2.195 -3.459 5.650 1.00 0.00 C ATOM 0 H ALA A 45 -0.587 -2.906 7.407 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.030 -5.236 6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.847 -3.924 4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.801 -2.947 6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.543 -2.738 5.157 1.00 0.00 H new ATOM 693 N LEU A 46 0.273 -4.586 4.545 1.00 0.00 N ATOM 694 CA LEU A 46 1.134 -5.202 3.549 1.00 0.00 C ATOM 695 C LEU A 46 1.952 -6.316 4.206 1.00 0.00 C ATOM 696 O LEU A 46 2.415 -7.232 3.529 1.00 0.00 O ATOM 697 CB LEU A 46 1.987 -4.142 2.850 1.00 0.00 C ATOM 698 CG LEU A 46 1.237 -3.173 1.935 1.00 0.00 C ATOM 699 CD1 LEU A 46 2.211 -2.278 1.166 1.00 0.00 C ATOM 700 CD2 LEU A 46 0.288 -3.925 0.999 1.00 0.00 C ATOM 0 H LEU A 46 0.319 -3.568 4.577 1.00 0.00 H new ATOM 0 HA LEU A 46 0.537 -5.666 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.507 -3.562 3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.750 -4.650 2.261 1.00 0.00 H new ATOM 0 HG LEU A 46 0.625 -2.521 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.651 -1.599 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.808 -1.700 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.868 -2.896 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.233 -3.212 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.860 -4.617 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.440 -4.482 1.589 1.00 0.00 H new ATOM 712 N GLU A 47 2.105 -6.199 5.517 1.00 0.00 N ATOM 713 CA GLU A 47 2.859 -7.185 6.273 1.00 0.00 C ATOM 714 C GLU A 47 2.004 -8.429 6.524 1.00 0.00 C ATOM 715 O GLU A 47 2.422 -9.545 6.220 1.00 0.00 O ATOM 716 CB GLU A 47 3.367 -6.594 7.589 1.00 0.00 C ATOM 717 CG GLU A 47 4.770 -6.007 7.421 1.00 0.00 C ATOM 718 CD GLU A 47 5.822 -6.905 8.077 1.00 0.00 C ATOM 719 OE1 GLU A 47 6.293 -7.867 7.452 1.00 0.00 O ATOM 720 OE2 GLU A 47 6.149 -6.573 9.280 1.00 0.00 O ATOM 0 H GLU A 47 1.720 -5.437 6.075 1.00 0.00 H new ATOM 0 HA GLU A 47 3.728 -7.479 5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.683 -5.818 7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.382 -7.367 8.357 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.995 -5.891 6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.808 -5.012 7.865 1.00 0.00 H new ATOM 728 N GLU A 48 0.823 -8.195 7.076 1.00 0.00 N ATOM 729 CA GLU A 48 -0.094 -9.282 7.372 1.00 0.00 C ATOM 730 C GLU A 48 -0.453 -10.037 6.090 1.00 0.00 C ATOM 731 O GLU A 48 -0.626 -11.254 6.110 1.00 0.00 O ATOM 732 CB GLU A 48 -1.351 -8.765 8.073 1.00 0.00 C ATOM 733 CG GLU A 48 -1.446 -9.309 9.500 1.00 0.00 C ATOM 734 CD GLU A 48 -2.512 -10.403 9.599 1.00 0.00 C ATOM 735 OE1 GLU A 48 -3.582 -10.283 8.985 1.00 0.00 O ATOM 736 OE2 GLU A 48 -2.196 -11.405 10.347 1.00 0.00 O ATOM 0 H GLU A 48 0.480 -7.268 7.326 1.00 0.00 H new ATOM 0 HA GLU A 48 0.402 -9.974 8.052 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.337 -7.675 8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.235 -9.061 7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.479 -9.709 9.806 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.687 -8.498 10.187 1.00 0.00 H new ATOM 744 N GLU A 49 -0.554 -9.282 5.006 1.00 0.00 N ATOM 745 CA GLU A 49 -0.889 -9.865 3.717 1.00 0.00 C ATOM 746 C GLU A 49 0.052 -11.029 3.400 1.00 0.00 C ATOM 747 O GLU A 49 -0.269 -11.884 2.576 1.00 0.00 O ATOM 748 CB GLU A 49 -0.846 -8.809 2.611 1.00 0.00 C ATOM 749 CG GLU A 49 -1.444 -9.352 1.311 1.00 0.00 C ATOM 750 CD GLU A 49 -2.931 -9.671 1.482 1.00 0.00 C ATOM 751 OE1 GLU A 49 -3.649 -8.928 2.167 1.00 0.00 O ATOM 752 OE2 GLU A 49 -3.334 -10.733 0.873 1.00 0.00 O ATOM 0 H GLU A 49 -0.410 -8.272 4.993 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.907 -10.250 3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.397 -7.923 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.185 -8.498 2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.315 -8.620 0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.908 -10.251 1.008 1.00 0.00 H new ATOM 760 N PHE A 50 1.194 -11.025 4.071 1.00 0.00 N ATOM 761 CA PHE A 50 2.183 -12.070 3.872 1.00 0.00 C ATOM 762 C PHE A 50 3.286 -11.991 4.930 1.00 0.00 C ATOM 763 O PHE A 50 3.224 -12.678 5.948 1.00 0.00 O ATOM 764 CB PHE A 50 2.801 -11.844 2.490 1.00 0.00 C ATOM 765 CG PHE A 50 2.185 -12.703 1.385 1.00 0.00 C ATOM 766 CD1 PHE A 50 2.388 -14.048 1.377 1.00 0.00 C ATOM 767 CD2 PHE A 50 1.436 -12.123 0.410 1.00 0.00 C ATOM 768 CE1 PHE A 50 1.817 -14.846 0.351 1.00 0.00 C ATOM 769 CE2 PHE A 50 0.864 -12.921 -0.617 1.00 0.00 C ATOM 770 CZ PHE A 50 1.067 -14.266 -0.624 1.00 0.00 C ATOM 0 H PHE A 50 1.457 -10.314 4.754 1.00 0.00 H new ATOM 0 HA PHE A 50 1.710 -13.049 3.951 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.692 -10.793 2.222 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.870 -12.050 2.543 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.984 -14.509 2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.276 -11.055 0.416 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.978 -15.914 0.345 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.269 -12.460 -1.391 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.632 -14.873 -1.404 1.00 0.00 H new ATOM 780 N ASP A 51 4.269 -11.148 4.652 1.00 0.00 N ATOM 781 CA ASP A 51 5.384 -10.970 5.567 1.00 0.00 C ATOM 782 C ASP A 51 6.463 -10.122 4.891 1.00 0.00 C ATOM 783 O ASP A 51 7.308 -10.647 4.168 1.00 0.00 O ATOM 784 CB ASP A 51 6.007 -12.316 5.943 1.00 0.00 C ATOM 785 CG ASP A 51 6.293 -12.501 7.435 1.00 0.00 C ATOM 786 OD1 ASP A 51 5.744 -11.784 8.284 1.00 0.00 O ATOM 787 OD2 ASP A 51 7.130 -13.442 7.717 1.00 0.00 O ATOM 0 H ASP A 51 4.317 -10.580 3.806 1.00 0.00 H new ATOM 0 HA ASP A 51 5.008 -10.482 6.466 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.340 -13.113 5.615 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.940 -12.434 5.392 1.00 0.00 H new ATOM 793 N THR A 52 6.399 -8.824 5.150 1.00 0.00 N ATOM 794 CA THR A 52 7.360 -7.898 4.575 1.00 0.00 C ATOM 795 C THR A 52 7.257 -6.532 5.257 1.00 0.00 C ATOM 796 O THR A 52 6.514 -5.663 4.804 1.00 0.00 O ATOM 797 CB THR A 52 7.119 -7.843 3.065 1.00 0.00 C ATOM 798 OG1 THR A 52 8.188 -7.040 2.573 1.00 0.00 O ATOM 799 CG2 THR A 52 5.860 -7.054 2.701 1.00 0.00 C ATOM 0 H THR A 52 5.697 -8.392 5.750 1.00 0.00 H new ATOM 0 HA THR A 52 8.383 -8.234 4.743 1.00 0.00 H new ATOM 0 HB THR A 52 7.037 -8.857 2.673 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.828 -6.206 2.204 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.736 -7.046 1.618 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.991 -7.523 3.162 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.955 -6.030 3.063 1.00 0.00 H new ATOM 807 N GLU A 53 8.014 -6.386 6.334 1.00 0.00 N ATOM 808 CA GLU A 53 8.018 -5.140 7.083 1.00 0.00 C ATOM 809 C GLU A 53 8.548 -3.999 6.212 1.00 0.00 C ATOM 810 O GLU A 53 9.688 -3.569 6.373 1.00 0.00 O ATOM 811 CB GLU A 53 8.838 -5.275 8.368 1.00 0.00 C ATOM 812 CG GLU A 53 10.236 -5.819 8.071 1.00 0.00 C ATOM 813 CD GLU A 53 11.309 -4.775 8.387 1.00 0.00 C ATOM 814 OE1 GLU A 53 11.362 -4.262 9.515 1.00 0.00 O ATOM 815 OE2 GLU A 53 12.108 -4.501 7.412 1.00 0.00 O ATOM 0 H GLU A 53 8.629 -7.109 6.706 1.00 0.00 H new ATOM 0 HA GLU A 53 6.992 -4.907 7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.918 -4.304 8.856 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.325 -5.940 9.063 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.413 -6.718 8.661 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.302 -6.108 7.022 1.00 0.00 H new ATOM 823 N ILE A 54 7.694 -3.542 5.308 1.00 0.00 N ATOM 824 CA ILE A 54 8.062 -2.460 4.411 1.00 0.00 C ATOM 825 C ILE A 54 8.469 -1.237 5.235 1.00 0.00 C ATOM 826 O ILE A 54 7.627 -0.601 5.868 1.00 0.00 O ATOM 827 CB ILE A 54 6.933 -2.182 3.416 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.175 -0.870 2.665 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.571 -2.201 4.111 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.647 -0.725 2.275 1.00 0.00 C ATOM 0 H ILE A 54 6.748 -3.901 5.178 1.00 0.00 H new ATOM 0 HA ILE A 54 8.926 -2.742 3.808 1.00 0.00 H new ATOM 0 HB ILE A 54 6.927 -2.982 2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.553 -0.839 1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.876 -0.029 3.290 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.787 -2.001 3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.406 -3.180 4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.548 -1.436 4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.792 0.215 1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.264 -0.732 3.174 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.936 -1.555 1.630 1.00 0.00 H new ATOM 842 N PRO A 55 9.795 -0.936 5.200 1.00 0.00 N ATOM 843 CA PRO A 55 10.325 0.199 5.936 1.00 0.00 C ATOM 844 C PRO A 55 9.973 1.516 5.241 1.00 0.00 C ATOM 845 O PRO A 55 9.933 1.582 4.014 1.00 0.00 O ATOM 846 CB PRO A 55 11.822 -0.048 6.017 1.00 0.00 C ATOM 847 CG PRO A 55 12.136 -1.064 4.931 1.00 0.00 C ATOM 848 CD PRO A 55 10.821 -1.667 4.462 1.00 0.00 C ATOM 0 HA PRO A 55 9.896 0.290 6.934 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.379 0.876 5.861 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.103 -0.427 7.000 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.655 -0.586 4.100 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.797 -1.841 5.315 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.693 -1.551 3.386 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.777 -2.735 4.675 1.00 0.00 H new ATOM 856 N ASP A 56 9.726 2.531 6.056 1.00 0.00 N ATOM 857 CA ASP A 56 9.378 3.842 5.535 1.00 0.00 C ATOM 858 C ASP A 56 10.449 4.290 4.538 1.00 0.00 C ATOM 859 O ASP A 56 10.129 4.774 3.454 1.00 0.00 O ATOM 860 CB ASP A 56 9.312 4.881 6.656 1.00 0.00 C ATOM 861 CG ASP A 56 10.453 4.807 7.674 1.00 0.00 C ATOM 862 OD1 ASP A 56 11.430 5.567 7.595 1.00 0.00 O ATOM 863 OD2 ASP A 56 10.308 3.911 8.591 1.00 0.00 O ATOM 0 H ASP A 56 9.760 2.472 7.074 1.00 0.00 H new ATOM 0 HA ASP A 56 8.402 3.766 5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.307 5.875 6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.366 4.764 7.184 1.00 0.00 H new ATOM 869 N GLU A 57 11.699 4.112 4.941 1.00 0.00 N ATOM 870 CA GLU A 57 12.819 4.492 4.097 1.00 0.00 C ATOM 871 C GLU A 57 12.635 3.928 2.686 1.00 0.00 C ATOM 872 O GLU A 57 13.040 4.552 1.707 1.00 0.00 O ATOM 873 CB GLU A 57 14.145 4.030 4.704 1.00 0.00 C ATOM 874 CG GLU A 57 14.415 4.736 6.034 1.00 0.00 C ATOM 875 CD GLU A 57 15.232 6.012 5.821 1.00 0.00 C ATOM 876 OE1 GLU A 57 15.952 6.127 4.818 1.00 0.00 O ATOM 877 OE2 GLU A 57 15.099 6.905 6.742 1.00 0.00 O ATOM 0 H GLU A 57 11.961 3.710 5.841 1.00 0.00 H new ATOM 0 HA GLU A 57 12.847 5.580 4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.122 2.951 4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.958 4.235 4.008 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.470 4.982 6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.951 4.064 6.704 1.00 0.00 H new ATOM 885 N GLU A 58 12.024 2.754 2.628 1.00 0.00 N ATOM 886 CA GLU A 58 11.782 2.098 1.354 1.00 0.00 C ATOM 887 C GLU A 58 10.357 2.382 0.874 1.00 0.00 C ATOM 888 O GLU A 58 10.051 2.213 -0.306 1.00 0.00 O ATOM 889 CB GLU A 58 12.037 0.593 1.454 1.00 0.00 C ATOM 890 CG GLU A 58 12.807 0.085 0.233 1.00 0.00 C ATOM 891 CD GLU A 58 12.373 -1.335 -0.136 1.00 0.00 C ATOM 892 OE1 GLU A 58 12.703 -2.290 0.583 1.00 0.00 O ATOM 893 OE2 GLU A 58 11.668 -1.427 -1.212 1.00 0.00 O ATOM 0 H GLU A 58 11.689 2.240 3.443 1.00 0.00 H new ATOM 0 HA GLU A 58 12.480 2.503 0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.602 0.376 2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.087 0.064 1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.637 0.752 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.877 0.100 0.441 1.00 0.00 H new ATOM 901 N ALA A 59 9.524 2.808 1.812 1.00 0.00 N ATOM 902 CA ALA A 59 8.139 3.117 1.499 1.00 0.00 C ATOM 903 C ALA A 59 8.053 4.534 0.930 1.00 0.00 C ATOM 904 O ALA A 59 7.567 4.732 -0.183 1.00 0.00 O ATOM 905 CB ALA A 59 7.281 2.939 2.753 1.00 0.00 C ATOM 0 H ALA A 59 9.782 2.947 2.789 1.00 0.00 H new ATOM 0 HA ALA A 59 7.755 2.434 0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.242 3.171 2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.354 1.908 3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.635 3.611 3.535 1.00 0.00 H new ATOM 911 N GLU A 60 8.533 5.485 1.719 1.00 0.00 N ATOM 912 CA GLU A 60 8.516 6.878 1.307 1.00 0.00 C ATOM 913 C GLU A 60 8.853 6.996 -0.180 1.00 0.00 C ATOM 914 O GLU A 60 8.436 7.946 -0.842 1.00 0.00 O ATOM 915 CB GLU A 60 9.478 7.712 2.156 1.00 0.00 C ATOM 916 CG GLU A 60 9.152 9.203 2.048 1.00 0.00 C ATOM 917 CD GLU A 60 10.419 10.024 1.795 1.00 0.00 C ATOM 918 OE1 GLU A 60 11.415 9.486 1.290 1.00 0.00 O ATOM 919 OE2 GLU A 60 10.343 11.264 2.143 1.00 0.00 O ATOM 0 H GLU A 60 8.936 5.318 2.641 1.00 0.00 H new ATOM 0 HA GLU A 60 7.511 7.271 1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.416 7.397 3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.503 7.536 1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.441 9.366 1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.672 9.542 2.966 1.00 0.00 H new ATOM 927 N LYS A 61 9.606 6.019 -0.663 1.00 0.00 N ATOM 928 CA LYS A 61 10.004 6.001 -2.061 1.00 0.00 C ATOM 929 C LYS A 61 8.917 5.313 -2.888 1.00 0.00 C ATOM 930 O LYS A 61 9.218 4.544 -3.799 1.00 0.00 O ATOM 931 CB LYS A 61 11.388 5.368 -2.215 1.00 0.00 C ATOM 932 CG LYS A 61 11.294 3.841 -2.231 1.00 0.00 C ATOM 933 CD LYS A 61 11.764 3.276 -3.573 1.00 0.00 C ATOM 934 CE LYS A 61 13.277 3.054 -3.575 1.00 0.00 C ATOM 935 NZ LYS A 61 13.929 3.926 -4.577 1.00 0.00 N ATOM 0 H LYS A 61 9.951 5.234 -0.111 1.00 0.00 H new ATOM 0 HA LYS A 61 10.099 7.017 -2.443 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.851 5.717 -3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.031 5.688 -1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.901 3.427 -1.426 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.265 3.535 -2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.254 2.333 -3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.493 3.962 -4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.682 3.262 -2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.497 2.009 -3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.956 3.762 -4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.555 3.708 -5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.735 4.922 -4.349 1.00 0.00 H new ATOM 948 N ILE A 62 7.674 5.614 -2.540 1.00 0.00 N ATOM 949 CA ILE A 62 6.540 5.033 -3.239 1.00 0.00 C ATOM 950 C ILE A 62 5.623 6.154 -3.734 1.00 0.00 C ATOM 951 O ILE A 62 5.329 6.240 -4.925 1.00 0.00 O ATOM 952 CB ILE A 62 5.833 4.006 -2.353 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.042 4.696 -1.239 1.00 0.00 C ATOM 954 CG2 ILE A 62 6.826 2.981 -1.801 1.00 0.00 C ATOM 955 CD1 ILE A 62 4.488 3.672 -0.246 1.00 0.00 C ATOM 0 H ILE A 62 7.428 6.252 -1.784 1.00 0.00 H new ATOM 0 HA ILE A 62 6.875 4.483 -4.118 1.00 0.00 H new ATOM 0 HB ILE A 62 5.116 3.461 -2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.685 5.404 -0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.222 5.269 -1.672 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.297 2.263 -1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.306 2.457 -2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.584 3.492 -1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.930 4.188 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.827 2.980 -0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.312 3.117 0.202 1.00 0.00 H new ATOM 967 N THR A 63 5.197 6.985 -2.794 1.00 0.00 N ATOM 968 CA THR A 63 4.320 8.096 -3.119 1.00 0.00 C ATOM 969 C THR A 63 3.137 7.614 -3.961 1.00 0.00 C ATOM 970 O THR A 63 2.474 8.411 -4.622 1.00 0.00 O ATOM 971 CB THR A 63 5.158 9.173 -3.810 1.00 0.00 C ATOM 972 OG1 THR A 63 5.336 8.678 -5.135 1.00 0.00 O ATOM 973 CG2 THR A 63 6.579 9.259 -3.250 1.00 0.00 C ATOM 0 H THR A 63 5.443 6.911 -1.807 1.00 0.00 H new ATOM 0 HA THR A 63 3.883 8.530 -2.220 1.00 0.00 H new ATOM 0 HB THR A 63 4.666 10.140 -3.702 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.988 7.764 -5.192 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.131 10.039 -3.775 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.537 9.497 -2.187 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.083 8.302 -3.388 1.00 0.00 H new ATOM 981 N THR A 64 2.908 6.310 -3.909 1.00 0.00 N ATOM 982 CA THR A 64 1.817 5.711 -4.659 1.00 0.00 C ATOM 983 C THR A 64 1.450 4.347 -4.070 1.00 0.00 C ATOM 984 O THR A 64 2.116 3.863 -3.156 1.00 0.00 O ATOM 985 CB THR A 64 2.233 5.646 -6.129 1.00 0.00 C ATOM 986 OG1 THR A 64 3.570 5.154 -6.090 1.00 0.00 O ATOM 987 CG2 THR A 64 2.364 7.033 -6.763 1.00 0.00 C ATOM 0 H THR A 64 3.459 5.651 -3.359 1.00 0.00 H new ATOM 0 HA THR A 64 0.912 6.314 -4.589 1.00 0.00 H new ATOM 0 HB THR A 64 1.503 5.060 -6.687 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.189 5.899 -5.941 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.661 6.929 -7.807 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.406 7.550 -6.708 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.118 7.609 -6.226 1.00 0.00 H new ATOM 995 N VAL A 65 0.393 3.766 -4.618 1.00 0.00 N ATOM 996 CA VAL A 65 -0.069 2.468 -4.159 1.00 0.00 C ATOM 997 C VAL A 65 0.679 1.368 -4.915 1.00 0.00 C ATOM 998 O VAL A 65 1.164 0.413 -4.310 1.00 0.00 O ATOM 999 CB VAL A 65 -1.589 2.370 -4.311 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.122 1.086 -3.672 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.279 3.602 -3.722 1.00 0.00 C ATOM 0 H VAL A 65 -0.157 4.171 -5.376 1.00 0.00 H new ATOM 0 HA VAL A 65 0.148 2.339 -3.099 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.818 2.334 -5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.204 1.041 -3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.666 0.222 -4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.876 1.079 -2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.358 3.507 -3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.038 3.682 -2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.933 4.496 -4.241 1.00 0.00 H new ATOM 1011 N GLN A 66 0.750 1.539 -6.227 1.00 0.00 N ATOM 1012 CA GLN A 66 1.430 0.572 -7.072 1.00 0.00 C ATOM 1013 C GLN A 66 2.791 0.210 -6.474 1.00 0.00 C ATOM 1014 O GLN A 66 3.097 -0.966 -6.284 1.00 0.00 O ATOM 1015 CB GLN A 66 1.582 1.103 -8.499 1.00 0.00 C ATOM 1016 CG GLN A 66 2.451 0.167 -9.342 1.00 0.00 C ATOM 1017 CD GLN A 66 1.820 -0.080 -10.714 1.00 0.00 C ATOM 1018 OE1 GLN A 66 2.162 0.545 -11.704 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.881 -1.022 -10.716 1.00 0.00 N ATOM 0 H GLN A 66 0.348 2.333 -6.726 1.00 0.00 H new ATOM 0 HA GLN A 66 0.823 -0.332 -7.118 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.599 1.206 -8.959 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.029 2.097 -8.475 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.443 0.600 -9.467 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.581 -0.782 -8.821 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.643 -1.507 -9.851 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.399 -1.260 -11.583 1.00 0.00 H new ATOM 1028 N ALA A 67 3.572 1.243 -6.193 1.00 0.00 N ATOM 1029 CA ALA A 67 4.894 1.049 -5.620 1.00 0.00 C ATOM 1030 C ALA A 67 4.818 -0.017 -4.526 1.00 0.00 C ATOM 1031 O ALA A 67 5.788 -0.734 -4.284 1.00 0.00 O ATOM 1032 CB ALA A 67 5.425 2.385 -5.098 1.00 0.00 C ATOM 0 H ALA A 67 3.315 2.217 -6.351 1.00 0.00 H new ATOM 0 HA ALA A 67 5.593 0.695 -6.377 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.416 2.240 -4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.487 3.098 -5.920 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.751 2.771 -4.333 1.00 0.00 H new ATOM 1038 N ALA A 68 3.656 -0.088 -3.892 1.00 0.00 N ATOM 1039 CA ALA A 68 3.442 -1.055 -2.829 1.00 0.00 C ATOM 1040 C ALA A 68 3.177 -2.431 -3.442 1.00 0.00 C ATOM 1041 O ALA A 68 3.721 -3.434 -2.984 1.00 0.00 O ATOM 1042 CB ALA A 68 2.293 -0.583 -1.935 1.00 0.00 C ATOM 0 H ALA A 68 2.854 0.508 -4.094 1.00 0.00 H new ATOM 0 HA ALA A 68 4.330 -1.140 -2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.131 -1.308 -1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.544 0.385 -1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.384 -0.489 -2.530 1.00 0.00 H new ATOM 1048 N ILE A 69 2.339 -2.435 -4.469 1.00 0.00 N ATOM 1049 CA ILE A 69 1.995 -3.671 -5.150 1.00 0.00 C ATOM 1050 C ILE A 69 3.224 -4.198 -5.893 1.00 0.00 C ATOM 1051 O ILE A 69 3.598 -5.360 -5.736 1.00 0.00 O ATOM 1052 CB ILE A 69 0.774 -3.466 -6.048 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.488 -3.239 -5.215 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.613 -4.630 -7.028 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -1.636 -2.726 -6.086 1.00 0.00 C ATOM 0 H ILE A 69 1.888 -1.601 -4.846 1.00 0.00 H new ATOM 0 HA ILE A 69 1.706 -4.436 -4.429 1.00 0.00 H new ATOM 0 HB ILE A 69 0.934 -2.565 -6.641 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.782 -4.171 -4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.280 -2.521 -4.422 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.262 -4.460 -7.655 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.501 -4.702 -7.656 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.486 -5.559 -6.472 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.521 -2.573 -5.468 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.348 -1.782 -6.548 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.858 -3.457 -6.863 1.00 0.00 H new ATOM 1067 N ASP A 70 3.819 -3.319 -6.686 1.00 0.00 N ATOM 1068 CA ASP A 70 4.998 -3.681 -7.454 1.00 0.00 C ATOM 1069 C ASP A 70 6.122 -4.080 -6.496 1.00 0.00 C ATOM 1070 O ASP A 70 7.063 -4.767 -6.890 1.00 0.00 O ATOM 1071 CB ASP A 70 5.490 -2.503 -8.297 1.00 0.00 C ATOM 1072 CG ASP A 70 5.114 -2.566 -9.778 1.00 0.00 C ATOM 1073 OD1 ASP A 70 4.146 -3.237 -10.164 1.00 0.00 O ATOM 1074 OD2 ASP A 70 5.874 -1.878 -10.563 1.00 0.00 O ATOM 0 H ASP A 70 3.506 -2.356 -6.813 1.00 0.00 H new ATOM 0 HA ASP A 70 4.731 -4.508 -8.112 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.089 -1.581 -7.875 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.575 -2.446 -8.215 1.00 0.00 H new ATOM 1080 N TYR A 71 5.988 -3.631 -5.257 1.00 0.00 N ATOM 1081 CA TYR A 71 6.981 -3.932 -4.240 1.00 0.00 C ATOM 1082 C TYR A 71 6.750 -5.322 -3.643 1.00 0.00 C ATOM 1083 O TYR A 71 7.683 -6.115 -3.528 1.00 0.00 O ATOM 1084 CB TYR A 71 6.794 -2.881 -3.144 1.00 0.00 C ATOM 1085 CG TYR A 71 7.222 -3.351 -1.752 1.00 0.00 C ATOM 1086 CD1 TYR A 71 8.551 -3.613 -1.490 1.00 0.00 C ATOM 1087 CD2 TYR A 71 6.278 -3.514 -0.758 1.00 0.00 C ATOM 1088 CE1 TYR A 71 8.954 -4.055 -0.180 1.00 0.00 C ATOM 1089 CE2 TYR A 71 6.680 -3.956 0.552 1.00 0.00 C ATOM 1090 CZ TYR A 71 7.998 -4.205 0.776 1.00 0.00 C ATOM 1091 OH TYR A 71 8.378 -4.623 2.013 1.00 0.00 O ATOM 0 H TYR A 71 5.206 -3.061 -4.934 1.00 0.00 H new ATOM 0 HA TYR A 71 7.984 -3.917 -4.666 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.365 -1.991 -3.407 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.745 -2.588 -3.111 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.290 -3.487 -2.268 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.237 -3.310 -0.963 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.991 -4.263 0.038 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.952 -4.087 1.339 1.00 0.00 H new ATOM 0 HH TYR A 71 9.179 -5.183 1.937 1.00 0.00 H new ATOM 1101 N ILE A 72 5.502 -5.574 -3.278 1.00 0.00 N ATOM 1102 CA ILE A 72 5.136 -6.853 -2.695 1.00 0.00 C ATOM 1103 C ILE A 72 5.396 -7.965 -3.713 1.00 0.00 C ATOM 1104 O ILE A 72 5.582 -9.123 -3.340 1.00 0.00 O ATOM 1105 CB ILE A 72 3.696 -6.816 -2.179 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.542 -5.788 -1.056 1.00 0.00 C ATOM 1107 CG2 ILE A 72 3.231 -8.209 -1.749 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.142 -6.310 0.251 1.00 0.00 C ATOM 0 H ILE A 72 4.731 -4.913 -3.375 1.00 0.00 H new ATOM 0 HA ILE A 72 5.756 -7.065 -1.824 1.00 0.00 H new ATOM 0 HB ILE A 72 3.049 -6.499 -2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.034 -4.858 -1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.486 -5.559 -0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.205 -8.154 -1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.279 -8.888 -2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.878 -8.579 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.019 -5.560 1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.632 -7.227 0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.203 -6.515 0.108 1.00 0.00 H new ATOM 1120 N ASN A 73 5.400 -7.575 -4.979 1.00 0.00 N ATOM 1121 CA ASN A 73 5.634 -8.525 -6.054 1.00 0.00 C ATOM 1122 C ASN A 73 7.137 -8.627 -6.321 1.00 0.00 C ATOM 1123 O ASN A 73 7.633 -9.686 -6.701 1.00 0.00 O ATOM 1124 CB ASN A 73 4.954 -8.071 -7.348 1.00 0.00 C ATOM 1125 CG ASN A 73 3.667 -8.859 -7.596 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.666 -9.926 -8.187 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.573 -8.275 -7.114 1.00 0.00 N ATOM 0 H ASN A 73 5.245 -6.614 -5.285 1.00 0.00 H new ATOM 0 HA ASN A 73 5.223 -9.487 -5.749 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.727 -7.006 -7.290 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.635 -8.206 -8.188 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.663 -8.722 -7.230 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.644 -7.381 -6.629 1.00 0.00 H new ATOM 1134 N GLY A 74 7.820 -7.511 -6.110 1.00 0.00 N ATOM 1135 CA GLY A 74 9.257 -7.462 -6.323 1.00 0.00 C ATOM 1136 C GLY A 74 10.012 -7.893 -5.064 1.00 0.00 C ATOM 1137 O GLY A 74 11.211 -7.645 -4.940 1.00 0.00 O ATOM 0 H GLY A 74 7.405 -6.634 -5.794 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.528 -8.113 -7.154 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.553 -6.450 -6.601 1.00 0.00 H new ATOM 1141 N HIS A 75 9.280 -8.531 -4.163 1.00 0.00 N ATOM 1142 CA HIS A 75 9.867 -8.999 -2.918 1.00 0.00 C ATOM 1143 C HIS A 75 9.904 -10.529 -2.912 1.00 0.00 C ATOM 1144 O HIS A 75 10.968 -11.127 -2.755 1.00 0.00 O ATOM 1145 CB HIS A 75 9.121 -8.420 -1.715 1.00 0.00 C ATOM 1146 CG HIS A 75 9.943 -8.369 -0.449 1.00 0.00 C ATOM 1147 ND1 HIS A 75 10.367 -7.182 0.122 1.00 0.00 N ATOM 1148 CD2 HIS A 75 10.414 -9.370 0.349 1.00 0.00 C ATOM 1149 CE1 HIS A 75 11.062 -7.467 1.214 1.00 0.00 C ATOM 1150 NE2 HIS A 75 11.090 -8.824 1.352 1.00 0.00 N ATOM 0 H HIS A 75 8.286 -8.735 -4.270 1.00 0.00 H new ATOM 0 HA HIS A 75 10.895 -8.644 -2.840 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.786 -7.412 -1.959 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.228 -9.018 -1.532 1.00 0.00 H new ATOM 0 HD1 HIS A 75 10.177 -6.246 -0.237 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.262 -10.428 0.191 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.525 -6.751 1.877 1.00 0.00 H new ATOM 1158 N GLN A 76 8.730 -11.118 -3.086 1.00 0.00 N ATOM 1159 CA GLN A 76 8.615 -12.567 -3.102 1.00 0.00 C ATOM 1160 C GLN A 76 8.205 -13.051 -4.495 1.00 0.00 C ATOM 1161 O GLN A 76 7.179 -12.628 -5.026 1.00 0.00 O ATOM 1162 CB GLN A 76 7.626 -13.050 -2.040 1.00 0.00 C ATOM 1163 CG GLN A 76 8.314 -13.968 -1.027 1.00 0.00 C ATOM 1164 CD GLN A 76 7.839 -13.667 0.396 1.00 0.00 C ATOM 1165 OE1 GLN A 76 7.124 -14.438 1.015 1.00 0.00 O ATOM 1166 NE2 GLN A 76 8.275 -12.507 0.877 1.00 0.00 N ATOM 0 H GLN A 76 7.850 -10.619 -3.217 1.00 0.00 H new ATOM 0 HA GLN A 76 9.590 -12.993 -2.863 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.193 -12.193 -1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.804 -13.582 -2.519 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.103 -15.009 -1.272 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.395 -13.839 -1.089 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.871 -11.909 0.305 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.013 -12.215 1.819 1.00 0.00 H new ATOM 1175 N ALA A 77 9.028 -13.931 -5.046 1.00 0.00 N ATOM 1176 CA ALA A 77 8.764 -14.477 -6.366 1.00 0.00 C ATOM 1177 C ALA A 77 9.385 -15.871 -6.471 1.00 0.00 C ATOM 1178 O ALA A 77 10.602 -16.005 -6.585 1.00 0.00 O ATOM 1179 CB ALA A 77 9.299 -13.519 -7.432 1.00 0.00 C ATOM 0 H ALA A 77 9.878 -14.279 -4.602 1.00 0.00 H new ATOM 0 HA ALA A 77 7.691 -14.581 -6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.101 -13.929 -8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.805 -12.553 -7.334 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.374 -13.392 -7.301 1.00 0.00 H new TER 1185 ALA A 77