USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 603 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 Single : A 1 GLY N :NH3+ -113:sc= 0.0921 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.076 F(o=-1.5!,f=-0.076) USER MOD Single : A 23 CYS SG : rot 60:sc= -7.49! USER MOD Single : A 24 HIS : no HD1:sc= -0.346 K(o=-0.35,f=-0.87) USER MOD Single : A 25 GLN : amide:sc= -1.18 K(o=-1.2,f=-3!) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 37 ASN : amide:sc= -0.206 K(o=-0.21,f=-1.3!) USER MOD Single : A 39 MET CE :methyl 158:sc= -1.43 (180deg=-2.92) USER MOD Single : A 41 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.089) USER MOD Single : A 45 GLN : amide:sc= -0.0166 X(o=-0.017,f=-0.22) USER MOD Single : A 46 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.6!) USER MOD Single : A 52 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.25) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -167:sc= -2.3! (180deg=-2.52!) USER MOD Single : A 59 GLN : amide:sc= -0.0125 X(o=-0.013,f=-0.071) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.337 K(o=-0.34,f=-4.5!) USER MOD Single : A 67 THR OG1 : rot 42:sc= -0.36! USER MOD Single : A 71 TYR OH : rot -172:sc= 1.29 USER MOD Single : A 74 LYS NZ :NH3+ -118:sc= -1.96 (180deg=-7.8!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.288 19.218 4.520 1.00 0.00 N ATOM 2 CA GLY A 1 -3.900 18.790 4.545 1.00 0.00 C ATOM 3 C GLY A 1 -3.427 18.543 5.979 1.00 0.00 C ATOM 4 O GLY A 1 -4.043 19.023 6.930 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.870 18.482 4.071 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.620 19.376 5.493 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.369 20.102 3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.787 17.878 3.959 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.273 19.549 4.077 1.00 0.00 H new ATOM 8 N SER A 2 -2.339 17.796 6.090 1.00 0.00 N ATOM 9 CA SER A 2 -1.777 17.480 7.392 1.00 0.00 C ATOM 10 C SER A 2 -0.302 17.885 7.438 1.00 0.00 C ATOM 11 O SER A 2 0.570 17.111 7.048 1.00 0.00 O ATOM 12 CB SER A 2 -1.929 15.992 7.711 1.00 0.00 C ATOM 13 OG SER A 2 -3.274 15.649 8.033 1.00 0.00 O ATOM 0 H SER A 2 -1.831 17.400 5.299 1.00 0.00 H new ATOM 0 HA SER A 2 -2.325 18.043 8.147 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.600 15.402 6.855 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.279 15.732 8.546 1.00 0.00 H new ATOM 0 HG SER A 2 -3.329 14.690 8.229 1.00 0.00 H new ATOM 19 N SER A 3 -0.069 19.098 7.918 1.00 0.00 N ATOM 20 CA SER A 3 1.284 19.616 8.019 1.00 0.00 C ATOM 21 C SER A 3 2.226 18.521 8.525 1.00 0.00 C ATOM 22 O SER A 3 1.919 17.834 9.498 1.00 0.00 O ATOM 23 CB SER A 3 1.341 20.833 8.944 1.00 0.00 C ATOM 24 OG SER A 3 1.029 20.494 10.293 1.00 0.00 O ATOM 0 H SER A 3 -0.795 19.737 8.241 1.00 0.00 H new ATOM 0 HA SER A 3 1.604 19.933 7.026 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.337 21.274 8.902 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.642 21.591 8.590 1.00 0.00 H new ATOM 0 HG SER A 3 1.078 21.297 10.852 1.00 0.00 H new ATOM 30 N GLY A 4 3.354 18.393 7.841 1.00 0.00 N ATOM 31 CA GLY A 4 4.342 17.393 8.209 1.00 0.00 C ATOM 32 C GLY A 4 3.918 16.002 7.734 1.00 0.00 C ATOM 33 O GLY A 4 2.727 15.703 7.663 1.00 0.00 O ATOM 0 H GLY A 4 3.605 18.965 7.035 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.307 17.652 7.772 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.473 17.387 9.291 1.00 0.00 H new ATOM 37 N SER A 5 4.916 15.188 7.421 1.00 0.00 N ATOM 38 CA SER A 5 4.662 13.836 6.955 1.00 0.00 C ATOM 39 C SER A 5 5.535 12.844 7.726 1.00 0.00 C ATOM 40 O SER A 5 6.555 12.383 7.216 1.00 0.00 O ATOM 41 CB SER A 5 4.920 13.714 5.452 1.00 0.00 C ATOM 42 OG SER A 5 3.729 13.894 4.690 1.00 0.00 O ATOM 0 H SER A 5 5.903 15.440 7.481 1.00 0.00 H new ATOM 0 HA SER A 5 3.613 13.603 7.136 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.659 14.456 5.150 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.344 12.734 5.235 1.00 0.00 H new ATOM 0 HG SER A 5 3.935 13.811 3.736 1.00 0.00 H new ATOM 48 N SER A 6 5.102 12.545 8.942 1.00 0.00 N ATOM 49 CA SER A 6 5.832 11.616 9.788 1.00 0.00 C ATOM 50 C SER A 6 4.853 10.698 10.524 1.00 0.00 C ATOM 51 O SER A 6 4.272 11.088 11.535 1.00 0.00 O ATOM 52 CB SER A 6 6.715 12.361 10.791 1.00 0.00 C ATOM 53 OG SER A 6 7.728 13.127 10.143 1.00 0.00 O ATOM 0 H SER A 6 4.255 12.929 9.361 1.00 0.00 H new ATOM 0 HA SER A 6 6.480 11.012 9.152 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.096 13.020 11.400 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.180 11.644 11.468 1.00 0.00 H new ATOM 0 HG SER A 6 8.270 13.589 10.816 1.00 0.00 H new ATOM 59 N GLY A 7 4.700 9.497 9.986 1.00 0.00 N ATOM 60 CA GLY A 7 3.802 8.521 10.579 1.00 0.00 C ATOM 61 C GLY A 7 2.348 8.990 10.491 1.00 0.00 C ATOM 62 O GLY A 7 1.733 9.308 11.508 1.00 0.00 O ATOM 0 H GLY A 7 5.183 9.178 9.146 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.911 7.564 10.069 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.073 8.359 11.622 1.00 0.00 H new ATOM 66 N PRO A 8 1.828 9.018 9.235 1.00 0.00 N ATOM 67 CA PRO A 8 0.458 9.443 9.002 1.00 0.00 C ATOM 68 C PRO A 8 -0.533 8.357 9.425 1.00 0.00 C ATOM 69 O PRO A 8 -1.642 8.659 9.863 1.00 0.00 O ATOM 70 CB PRO A 8 0.392 9.762 7.517 1.00 0.00 C ATOM 71 CG PRO A 8 1.587 9.065 6.888 1.00 0.00 C ATOM 72 CD PRO A 8 2.527 8.648 8.008 1.00 0.00 C ATOM 0 HA PRO A 8 0.181 10.314 9.596 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.542 9.405 7.082 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.433 10.838 7.346 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.264 8.195 6.317 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.095 9.732 6.192 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.731 7.578 7.976 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.487 9.158 7.930 1.00 0.00 H new ATOM 80 N ASP A 9 -0.097 7.114 9.278 1.00 0.00 N ATOM 81 CA ASP A 9 -0.932 5.981 9.640 1.00 0.00 C ATOM 82 C ASP A 9 -2.167 5.954 8.737 1.00 0.00 C ATOM 83 O ASP A 9 -3.001 6.856 8.793 1.00 0.00 O ATOM 84 CB ASP A 9 -1.409 6.088 11.089 1.00 0.00 C ATOM 85 CG ASP A 9 -0.758 5.100 12.059 1.00 0.00 C ATOM 86 OD1 ASP A 9 -0.427 3.987 11.598 1.00 0.00 O ATOM 87 OD2 ASP A 9 -0.606 5.481 13.240 1.00 0.00 O ATOM 0 H ASP A 9 0.823 6.867 8.913 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.339 5.074 9.522 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.219 7.101 11.444 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.489 5.939 11.112 1.00 0.00 H new ATOM 92 N ALA A 10 -2.244 4.910 7.924 1.00 0.00 N ATOM 93 CA ALA A 10 -3.362 4.754 7.010 1.00 0.00 C ATOM 94 C ALA A 10 -4.072 3.430 7.301 1.00 0.00 C ATOM 95 O ALA A 10 -4.959 3.020 6.555 1.00 0.00 O ATOM 96 CB ALA A 10 -2.859 4.841 5.568 1.00 0.00 C ATOM 0 H ALA A 10 -1.550 4.164 7.880 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.087 5.555 7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.698 4.724 4.882 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.389 5.811 5.404 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.131 4.050 5.388 1.00 0.00 H new ATOM 102 N ASP A 11 -3.655 2.798 8.389 1.00 0.00 N ATOM 103 CA ASP A 11 -4.239 1.530 8.788 1.00 0.00 C ATOM 104 C ASP A 11 -4.039 0.506 7.668 1.00 0.00 C ATOM 105 O ASP A 11 -3.937 0.872 6.499 1.00 0.00 O ATOM 106 CB ASP A 11 -5.743 1.670 9.036 1.00 0.00 C ATOM 107 CG ASP A 11 -6.263 0.946 10.280 1.00 0.00 C ATOM 108 OD1 ASP A 11 -5.803 1.312 11.383 1.00 0.00 O ATOM 109 OD2 ASP A 11 -7.108 0.043 10.099 1.00 0.00 O ATOM 0 H ASP A 11 -2.919 3.141 9.006 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.750 1.208 9.707 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.985 2.729 9.123 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.277 1.292 8.164 1.00 0.00 H new ATOM 114 N PRO A 12 -3.986 -0.790 8.077 1.00 0.00 N ATOM 115 CA PRO A 12 -3.799 -1.869 7.122 1.00 0.00 C ATOM 116 C PRO A 12 -5.084 -2.133 6.335 1.00 0.00 C ATOM 117 O PRO A 12 -5.130 -1.920 5.125 1.00 0.00 O ATOM 118 CB PRO A 12 -3.358 -3.061 7.957 1.00 0.00 C ATOM 119 CG PRO A 12 -3.761 -2.740 9.387 1.00 0.00 C ATOM 120 CD PRO A 12 -4.103 -1.261 9.454 1.00 0.00 C ATOM 0 HA PRO A 12 -3.054 -1.634 6.362 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.837 -3.978 7.613 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.282 -3.215 7.880 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.618 -3.344 9.687 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.949 -2.975 10.075 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.110 -1.105 9.842 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.420 -0.726 10.115 1.00 0.00 H new ATOM 128 N VAL A 13 -6.097 -2.595 7.055 1.00 0.00 N ATOM 129 CA VAL A 13 -7.379 -2.890 6.439 1.00 0.00 C ATOM 130 C VAL A 13 -7.705 -1.810 5.405 1.00 0.00 C ATOM 131 O VAL A 13 -7.917 -2.112 4.232 1.00 0.00 O ATOM 132 CB VAL A 13 -8.457 -3.032 7.515 1.00 0.00 C ATOM 133 CG1 VAL A 13 -8.426 -1.845 8.481 1.00 0.00 C ATOM 134 CG2 VAL A 13 -9.843 -3.191 6.887 1.00 0.00 C ATOM 0 H VAL A 13 -6.055 -2.772 8.059 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.338 -3.843 5.911 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.243 -3.936 8.086 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.202 -1.970 9.236 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.451 -1.797 8.967 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.603 -0.922 7.929 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.590 -3.290 7.675 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.070 -2.315 6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.858 -4.082 6.259 1.00 0.00 H new ATOM 144 N GLU A 14 -7.735 -0.573 5.879 1.00 0.00 N ATOM 145 CA GLU A 14 -8.031 0.554 5.011 1.00 0.00 C ATOM 146 C GLU A 14 -7.286 0.411 3.682 1.00 0.00 C ATOM 147 O GLU A 14 -7.899 0.442 2.616 1.00 0.00 O ATOM 148 CB GLU A 14 -7.684 1.878 5.694 1.00 0.00 C ATOM 149 CG GLU A 14 -8.833 2.353 6.586 1.00 0.00 C ATOM 150 CD GLU A 14 -9.559 3.544 5.958 1.00 0.00 C ATOM 151 OE1 GLU A 14 -9.433 3.699 4.724 1.00 0.00 O ATOM 152 OE2 GLU A 14 -10.224 4.272 6.725 1.00 0.00 O ATOM 0 H GLU A 14 -7.559 -0.327 6.853 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.102 0.558 4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.781 1.757 6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.468 2.635 4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.537 1.536 6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.446 2.634 7.565 1.00 0.00 H new ATOM 159 N ILE A 15 -5.975 0.256 3.789 1.00 0.00 N ATOM 160 CA ILE A 15 -5.140 0.108 2.609 1.00 0.00 C ATOM 161 C ILE A 15 -5.674 -1.042 1.753 1.00 0.00 C ATOM 162 O ILE A 15 -5.883 -0.881 0.552 1.00 0.00 O ATOM 163 CB ILE A 15 -3.672 -0.053 3.009 1.00 0.00 C ATOM 164 CG1 ILE A 15 -3.189 1.151 3.821 1.00 0.00 C ATOM 165 CG2 ILE A 15 -2.794 -0.305 1.781 1.00 0.00 C ATOM 166 CD1 ILE A 15 -2.037 0.760 4.749 1.00 0.00 C ATOM 0 H ILE A 15 -5.470 0.230 4.675 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.183 1.008 1.996 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.587 -0.929 3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.864 1.943 3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.014 1.552 4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.755 -0.416 2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.122 -1.216 1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.879 0.537 1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.713 1.634 5.314 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.372 -0.015 5.439 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.204 0.382 4.156 1.00 0.00 H new ATOM 178 N GLU A 16 -5.878 -2.177 2.405 1.00 0.00 N ATOM 179 CA GLU A 16 -6.384 -3.354 1.719 1.00 0.00 C ATOM 180 C GLU A 16 -7.715 -3.039 1.035 1.00 0.00 C ATOM 181 O GLU A 16 -7.801 -3.032 -0.192 1.00 0.00 O ATOM 182 CB GLU A 16 -6.529 -4.532 2.685 1.00 0.00 C ATOM 183 CG GLU A 16 -5.175 -4.920 3.284 1.00 0.00 C ATOM 184 CD GLU A 16 -4.921 -6.421 3.138 1.00 0.00 C ATOM 185 OE1 GLU A 16 -5.676 -7.189 3.772 1.00 0.00 O ATOM 186 OE2 GLU A 16 -3.976 -6.767 2.396 1.00 0.00 O ATOM 0 H GLU A 16 -5.702 -2.307 3.401 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.664 -3.641 0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.222 -4.269 3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.957 -5.386 2.161 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.381 -4.363 2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.147 -4.644 4.338 1.00 0.00 H new ATOM 193 N ASN A 17 -8.722 -2.785 1.859 1.00 0.00 N ATOM 194 CA ASN A 17 -10.045 -2.469 1.349 1.00 0.00 C ATOM 195 C ASN A 17 -9.911 -1.586 0.107 1.00 0.00 C ATOM 196 O ASN A 17 -10.625 -1.779 -0.876 1.00 0.00 O ATOM 197 CB ASN A 17 -10.867 -1.703 2.387 1.00 0.00 C ATOM 198 CG ASN A 17 -11.902 -2.615 3.049 1.00 0.00 C ATOM 199 OD1 ASN A 17 -11.762 -2.726 4.366 1.00 0.00 O flip ATOM 200 ND2 ASN A 17 -12.771 -3.181 2.405 1.00 0.00 N flip ATOM 0 H ASN A 17 -8.648 -2.792 2.876 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.547 -3.407 1.112 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.204 -1.288 3.146 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.370 -0.863 1.909 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.822 -3.052 1.394 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -13.446 -3.783 2.877 1.00 0.00 H new ATOM 207 N ARG A 18 -8.991 -0.636 0.192 1.00 0.00 N ATOM 208 CA ARG A 18 -8.754 0.278 -0.913 1.00 0.00 C ATOM 209 C ARG A 18 -8.432 -0.504 -2.188 1.00 0.00 C ATOM 210 O ARG A 18 -9.055 -0.289 -3.227 1.00 0.00 O ATOM 211 CB ARG A 18 -7.599 1.231 -0.602 1.00 0.00 C ATOM 212 CG ARG A 18 -8.068 2.687 -0.628 1.00 0.00 C ATOM 213 CD ARG A 18 -8.730 3.026 -1.965 1.00 0.00 C ATOM 214 NE ARG A 18 -8.420 4.423 -2.343 1.00 0.00 N ATOM 215 CZ ARG A 18 -8.795 4.989 -3.498 1.00 0.00 C ATOM 216 NH1 ARG A 18 -9.496 4.281 -4.395 1.00 0.00 N ATOM 217 NH2 ARG A 18 -8.470 6.263 -3.757 1.00 0.00 N ATOM 0 H ARG A 18 -8.401 -0.479 1.009 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.662 0.863 -1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.183 0.997 0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.800 1.089 -1.330 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.773 2.860 0.185 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.219 3.349 -0.460 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.377 2.344 -2.739 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.809 2.892 -1.890 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.888 4.990 -1.683 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.744 3.311 -4.198 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.781 4.712 -5.274 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.937 6.802 -3.075 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.756 6.694 -4.636 1.00 0.00 H new ATOM 231 N ILE A 19 -7.459 -1.395 -2.068 1.00 0.00 N ATOM 232 CA ILE A 19 -7.046 -2.210 -3.198 1.00 0.00 C ATOM 233 C ILE A 19 -8.260 -2.956 -3.754 1.00 0.00 C ATOM 234 O ILE A 19 -8.434 -3.048 -4.968 1.00 0.00 O ATOM 235 CB ILE A 19 -5.888 -3.128 -2.802 1.00 0.00 C ATOM 236 CG1 ILE A 19 -4.580 -2.343 -2.688 1.00 0.00 C ATOM 237 CG2 ILE A 19 -5.767 -4.307 -3.770 1.00 0.00 C ATOM 238 CD1 ILE A 19 -3.723 -2.870 -1.536 1.00 0.00 C ATOM 0 H ILE A 19 -6.944 -1.571 -1.205 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.663 -1.581 -4.001 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.102 -3.542 -1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.024 -2.417 -3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.798 -1.287 -2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.936 -4.944 -3.466 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.691 -4.885 -3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.587 -3.933 -4.778 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.799 -2.295 -1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.272 -2.772 -0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.486 -3.920 -1.709 1.00 0.00 H new ATOM 250 N ILE A 20 -9.069 -3.469 -2.839 1.00 0.00 N ATOM 251 CA ILE A 20 -10.263 -4.204 -3.222 1.00 0.00 C ATOM 252 C ILE A 20 -11.108 -3.341 -4.160 1.00 0.00 C ATOM 253 O ILE A 20 -11.343 -3.714 -5.309 1.00 0.00 O ATOM 254 CB ILE A 20 -11.018 -4.685 -1.981 1.00 0.00 C ATOM 255 CG1 ILE A 20 -10.084 -5.434 -1.028 1.00 0.00 C ATOM 256 CG2 ILE A 20 -12.234 -5.527 -2.372 1.00 0.00 C ATOM 257 CD1 ILE A 20 -9.252 -6.474 -1.780 1.00 0.00 C ATOM 0 H ILE A 20 -8.921 -3.390 -1.833 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.995 -5.106 -3.772 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.390 -3.811 -1.446 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.423 -4.725 -0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.669 -5.925 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.753 -5.856 -1.472 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -12.910 -4.928 -2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.906 -6.397 -2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.597 -6.992 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.916 -7.195 -2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.650 -5.977 -2.540 1.00 0.00 H new ATOM 269 N GLU A 21 -11.543 -2.205 -3.636 1.00 0.00 N ATOM 270 CA GLU A 21 -12.358 -1.286 -4.413 1.00 0.00 C ATOM 271 C GLU A 21 -11.747 -1.077 -5.800 1.00 0.00 C ATOM 272 O GLU A 21 -12.469 -0.883 -6.777 1.00 0.00 O ATOM 273 CB GLU A 21 -12.528 0.048 -3.682 1.00 0.00 C ATOM 274 CG GLU A 21 -13.749 0.016 -2.761 1.00 0.00 C ATOM 275 CD GLU A 21 -14.560 1.308 -2.881 1.00 0.00 C ATOM 276 OE1 GLU A 21 -15.281 1.434 -3.894 1.00 0.00 O ATOM 277 OE2 GLU A 21 -14.440 2.141 -1.956 1.00 0.00 O ATOM 0 H GLU A 21 -11.347 -1.900 -2.683 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.348 -1.724 -4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.633 0.264 -3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.637 0.854 -4.408 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.378 -0.837 -3.015 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.427 -0.121 -1.729 1.00 0.00 H new ATOM 284 N LEU A 22 -10.424 -1.124 -5.842 1.00 0.00 N ATOM 285 CA LEU A 22 -9.708 -0.943 -7.093 1.00 0.00 C ATOM 286 C LEU A 22 -9.772 -2.238 -7.905 1.00 0.00 C ATOM 287 O LEU A 22 -10.255 -2.241 -9.037 1.00 0.00 O ATOM 288 CB LEU A 22 -8.282 -0.453 -6.829 1.00 0.00 C ATOM 289 CG LEU A 22 -8.048 1.050 -6.995 1.00 0.00 C ATOM 290 CD1 LEU A 22 -7.285 1.621 -5.798 1.00 0.00 C ATOM 291 CD2 LEU A 22 -7.344 1.352 -8.319 1.00 0.00 C ATOM 0 H LEU A 22 -9.829 -1.285 -5.029 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.182 -0.166 -7.693 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.005 -0.734 -5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.607 -0.982 -7.501 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.018 1.546 -7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.132 2.691 -5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.860 1.455 -4.887 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.319 1.124 -5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.190 2.427 -8.412 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.380 0.844 -8.343 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.960 1.001 -9.147 1.00 0.00 H new ATOM 303 N CYS A 23 -9.279 -3.306 -7.296 1.00 0.00 N ATOM 304 CA CYS A 23 -9.275 -4.604 -7.949 1.00 0.00 C ATOM 305 C CYS A 23 -10.667 -4.853 -8.532 1.00 0.00 C ATOM 306 O CYS A 23 -10.800 -5.471 -9.588 1.00 0.00 O ATOM 307 CB CYS A 23 -8.851 -5.718 -6.989 1.00 0.00 C ATOM 308 SG CYS A 23 -7.198 -5.350 -6.294 1.00 0.00 S ATOM 0 H CYS A 23 -8.880 -3.299 -6.358 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.540 -4.607 -8.754 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.580 -5.813 -6.184 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.830 -6.673 -7.514 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.237 -4.217 -5.657 1.00 0.00 H new ATOM 314 N HIS A 24 -11.669 -4.359 -7.821 1.00 0.00 N ATOM 315 CA HIS A 24 -13.046 -4.520 -8.255 1.00 0.00 C ATOM 316 C HIS A 24 -13.349 -3.529 -9.381 1.00 0.00 C ATOM 317 O HIS A 24 -14.027 -3.871 -10.348 1.00 0.00 O ATOM 318 CB HIS A 24 -14.008 -4.385 -7.073 1.00 0.00 C ATOM 319 CG HIS A 24 -14.504 -5.704 -6.531 1.00 0.00 C ATOM 320 ND1 HIS A 24 -14.836 -6.772 -7.346 1.00 0.00 N ATOM 321 CD2 HIS A 24 -14.720 -6.116 -5.249 1.00 0.00 C ATOM 322 CE1 HIS A 24 -15.233 -7.777 -6.579 1.00 0.00 C ATOM 323 NE2 HIS A 24 -15.161 -7.368 -5.279 1.00 0.00 N ATOM 0 H HIS A 24 -11.555 -3.847 -6.946 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.190 -5.524 -8.653 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.509 -3.839 -6.272 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -14.864 -3.786 -7.381 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.560 -5.524 -4.360 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.557 -8.749 -6.922 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -15.406 -7.931 -4.465 1.00 0.00 H new ATOM 331 N GLN A 25 -12.830 -2.321 -9.218 1.00 0.00 N ATOM 332 CA GLN A 25 -13.035 -1.278 -10.209 1.00 0.00 C ATOM 333 C GLN A 25 -12.355 -1.656 -11.526 1.00 0.00 C ATOM 334 O GLN A 25 -12.843 -1.313 -12.602 1.00 0.00 O ATOM 335 CB GLN A 25 -12.529 0.072 -9.697 1.00 0.00 C ATOM 336 CG GLN A 25 -13.688 0.944 -9.211 1.00 0.00 C ATOM 337 CD GLN A 25 -14.760 1.085 -10.293 1.00 0.00 C ATOM 338 OE1 GLN A 25 -14.550 0.777 -11.455 1.00 0.00 O ATOM 339 NE2 GLN A 25 -15.918 1.566 -9.849 1.00 0.00 N ATOM 0 H GLN A 25 -12.268 -2.041 -8.414 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.105 -1.182 -10.391 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.822 -0.086 -8.883 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.990 0.587 -10.492 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.127 0.505 -8.315 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.315 1.930 -8.934 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -16.027 1.804 -8.863 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.697 1.697 -10.494 1.00 0.00 H new ATOM 348 N PHE A 26 -11.238 -2.357 -11.398 1.00 0.00 N ATOM 349 CA PHE A 26 -10.486 -2.785 -12.565 1.00 0.00 C ATOM 350 C PHE A 26 -10.364 -4.310 -12.610 1.00 0.00 C ATOM 351 O PHE A 26 -9.602 -4.898 -11.844 1.00 0.00 O ATOM 352 CB PHE A 26 -9.087 -2.177 -12.444 1.00 0.00 C ATOM 353 CG PHE A 26 -9.077 -0.648 -12.380 1.00 0.00 C ATOM 354 CD1 PHE A 26 -9.340 -0.014 -11.206 1.00 0.00 C ATOM 355 CD2 PHE A 26 -8.805 0.077 -13.498 1.00 0.00 C ATOM 356 CE1 PHE A 26 -9.330 1.404 -11.147 1.00 0.00 C ATOM 357 CE2 PHE A 26 -8.796 1.496 -13.439 1.00 0.00 C ATOM 358 CZ PHE A 26 -9.058 2.130 -12.265 1.00 0.00 C ATOM 0 H PHE A 26 -10.836 -2.639 -10.504 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.993 -2.461 -13.474 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.607 -2.571 -11.548 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.487 -2.499 -13.295 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.557 -0.590 -10.318 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.596 -0.426 -14.430 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.538 1.907 -10.214 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.581 2.072 -14.327 1.00 0.00 H new ATOM 0 HZ PHE A 26 -9.050 3.209 -12.220 1.00 0.00 H new ATOM 368 N PRO A 27 -11.146 -4.922 -13.539 1.00 0.00 N ATOM 369 CA PRO A 27 -11.133 -6.366 -13.694 1.00 0.00 C ATOM 370 C PRO A 27 -9.861 -6.830 -14.409 1.00 0.00 C ATOM 371 O PRO A 27 -9.406 -7.954 -14.206 1.00 0.00 O ATOM 372 CB PRO A 27 -12.400 -6.691 -14.467 1.00 0.00 C ATOM 373 CG PRO A 27 -12.836 -5.388 -15.118 1.00 0.00 C ATOM 374 CD PRO A 27 -12.060 -4.257 -14.464 1.00 0.00 C ATOM 0 HA PRO A 27 -11.120 -6.891 -12.739 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.214 -7.459 -15.217 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.175 -7.075 -13.803 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.642 -5.414 -16.190 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.908 -5.238 -14.991 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.517 -3.670 -15.204 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.726 -3.572 -13.939 1.00 0.00 H new ATOM 382 N HIS A 28 -9.324 -5.939 -15.229 1.00 0.00 N ATOM 383 CA HIS A 28 -8.114 -6.242 -15.975 1.00 0.00 C ATOM 384 C HIS A 28 -6.921 -6.287 -15.020 1.00 0.00 C ATOM 385 O HIS A 28 -6.038 -7.132 -15.162 1.00 0.00 O ATOM 386 CB HIS A 28 -7.919 -5.249 -17.122 1.00 0.00 C ATOM 387 CG HIS A 28 -9.126 -5.100 -18.018 1.00 0.00 C ATOM 388 ND1 HIS A 28 -9.677 -3.871 -18.335 1.00 0.00 N ATOM 389 CD2 HIS A 28 -9.880 -6.038 -18.660 1.00 0.00 C ATOM 390 CE1 HIS A 28 -10.716 -4.072 -19.133 1.00 0.00 C ATOM 391 NE2 HIS A 28 -10.840 -5.416 -19.333 1.00 0.00 N ATOM 0 H HIS A 28 -9.704 -5.007 -15.393 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.203 -7.226 -16.436 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.666 -4.274 -16.706 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.069 -5.569 -17.725 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.722 -7.106 -18.626 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.353 -3.306 -19.551 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.553 -5.868 -19.905 1.00 0.00 H new ATOM 399 N GLY A 29 -6.931 -5.367 -14.067 1.00 0.00 N ATOM 400 CA GLY A 29 -5.860 -5.290 -13.088 1.00 0.00 C ATOM 401 C GLY A 29 -5.454 -3.837 -12.831 1.00 0.00 C ATOM 402 O GLY A 29 -5.981 -2.922 -13.461 1.00 0.00 O ATOM 0 H GLY A 29 -7.665 -4.668 -13.952 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.182 -5.752 -12.155 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.998 -5.855 -13.442 1.00 0.00 H new ATOM 406 N ILE A 30 -4.521 -3.672 -11.905 1.00 0.00 N ATOM 407 CA ILE A 30 -4.039 -2.346 -11.558 1.00 0.00 C ATOM 408 C ILE A 30 -2.524 -2.398 -11.347 1.00 0.00 C ATOM 409 O ILE A 30 -2.012 -3.328 -10.726 1.00 0.00 O ATOM 410 CB ILE A 30 -4.808 -1.794 -10.356 1.00 0.00 C ATOM 411 CG1 ILE A 30 -4.543 -2.632 -9.104 1.00 0.00 C ATOM 412 CG2 ILE A 30 -6.302 -1.682 -10.666 1.00 0.00 C ATOM 413 CD1 ILE A 30 -5.296 -2.067 -7.897 1.00 0.00 C ATOM 0 H ILE A 30 -4.086 -4.434 -11.385 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.224 -1.648 -12.374 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.445 -0.787 -10.151 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.851 -3.663 -9.280 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.474 -2.651 -8.894 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.826 -1.287 -9.795 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.449 -1.011 -11.513 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.698 -2.668 -10.911 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.091 -2.681 -7.020 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.968 -1.045 -7.709 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.367 -2.072 -8.101 1.00 0.00 H new ATOM 425 N THR A 31 -1.850 -1.388 -11.878 1.00 0.00 N ATOM 426 CA THR A 31 -0.405 -1.307 -11.756 1.00 0.00 C ATOM 427 C THR A 31 -0.018 -0.422 -10.570 1.00 0.00 C ATOM 428 O THR A 31 -0.727 0.529 -10.243 1.00 0.00 O ATOM 429 CB THR A 31 0.156 -0.813 -13.091 1.00 0.00 C ATOM 430 OG1 THR A 31 -0.413 0.484 -13.247 1.00 0.00 O ATOM 431 CG2 THR A 31 -0.388 -1.604 -14.283 1.00 0.00 C ATOM 0 H THR A 31 -2.278 -0.619 -12.394 1.00 0.00 H new ATOM 0 HA THR A 31 0.029 -2.285 -11.547 1.00 0.00 H new ATOM 0 HB THR A 31 1.244 -0.881 -13.076 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.101 0.879 -14.088 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.041 -1.213 -15.205 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.120 -2.655 -14.175 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.473 -1.508 -14.319 1.00 0.00 H new ATOM 439 N ASP A 32 1.105 -0.766 -9.957 1.00 0.00 N ATOM 440 CA ASP A 32 1.594 -0.014 -8.814 1.00 0.00 C ATOM 441 C ASP A 32 1.395 1.482 -9.069 1.00 0.00 C ATOM 442 O ASP A 32 1.204 2.255 -8.132 1.00 0.00 O ATOM 443 CB ASP A 32 3.088 -0.260 -8.591 1.00 0.00 C ATOM 444 CG ASP A 32 3.419 -1.442 -7.676 1.00 0.00 C ATOM 445 OD1 ASP A 32 3.451 -1.216 -6.447 1.00 0.00 O ATOM 446 OD2 ASP A 32 3.632 -2.543 -8.227 1.00 0.00 O ATOM 0 H ASP A 32 1.690 -1.555 -10.230 1.00 0.00 H new ATOM 0 HA ASP A 32 1.039 -0.340 -7.934 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.562 -0.425 -9.558 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.530 0.642 -8.169 1.00 0.00 H new ATOM 451 N GLN A 33 1.447 1.844 -10.343 1.00 0.00 N ATOM 452 CA GLN A 33 1.275 3.233 -10.734 1.00 0.00 C ATOM 453 C GLN A 33 -0.125 3.720 -10.357 1.00 0.00 C ATOM 454 O GLN A 33 -0.271 4.717 -9.650 1.00 0.00 O ATOM 455 CB GLN A 33 1.536 3.418 -12.230 1.00 0.00 C ATOM 456 CG GLN A 33 1.881 4.874 -12.550 1.00 0.00 C ATOM 457 CD GLN A 33 1.115 5.361 -13.781 1.00 0.00 C ATOM 458 OE1 GLN A 33 1.569 5.255 -14.909 1.00 0.00 O ATOM 459 NE2 GLN A 33 -0.069 5.899 -13.503 1.00 0.00 N ATOM 0 H GLN A 33 1.606 1.199 -11.117 1.00 0.00 H new ATOM 0 HA GLN A 33 2.006 3.836 -10.195 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.354 2.769 -12.543 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.655 3.116 -12.797 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.640 5.505 -11.694 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.953 4.968 -12.724 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.389 5.957 -12.536 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.658 6.254 -14.257 1.00 0.00 H new ATOM 468 N VAL A 34 -1.121 2.995 -10.845 1.00 0.00 N ATOM 469 CA VAL A 34 -2.505 3.341 -10.569 1.00 0.00 C ATOM 470 C VAL A 34 -2.666 3.625 -9.074 1.00 0.00 C ATOM 471 O VAL A 34 -2.921 4.761 -8.678 1.00 0.00 O ATOM 472 CB VAL A 34 -3.432 2.232 -11.070 1.00 0.00 C ATOM 473 CG1 VAL A 34 -4.863 2.448 -10.575 1.00 0.00 C ATOM 474 CG2 VAL A 34 -3.389 2.131 -12.596 1.00 0.00 C ATOM 0 H VAL A 34 -0.997 2.169 -11.430 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.786 4.248 -11.105 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.076 1.287 -10.661 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.501 1.646 -10.945 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.875 2.447 -9.485 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.234 3.405 -10.941 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.056 1.335 -12.927 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.708 3.077 -13.032 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.372 1.908 -12.917 1.00 0.00 H new ATOM 484 N ILE A 35 -2.511 2.572 -8.284 1.00 0.00 N ATOM 485 CA ILE A 35 -2.636 2.694 -6.842 1.00 0.00 C ATOM 486 C ILE A 35 -1.860 3.924 -6.369 1.00 0.00 C ATOM 487 O ILE A 35 -2.182 4.507 -5.335 1.00 0.00 O ATOM 488 CB ILE A 35 -2.209 1.395 -6.156 1.00 0.00 C ATOM 489 CG1 ILE A 35 -3.125 0.236 -6.555 1.00 0.00 C ATOM 490 CG2 ILE A 35 -2.140 1.574 -4.638 1.00 0.00 C ATOM 491 CD1 ILE A 35 -2.357 -1.087 -6.577 1.00 0.00 C ATOM 0 H ILE A 35 -2.300 1.631 -8.616 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.678 2.848 -6.561 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.205 1.143 -6.497 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.956 0.166 -5.853 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.553 0.428 -7.539 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.834 0.636 -4.175 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.415 2.352 -4.396 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.121 1.862 -4.261 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.031 -1.894 -6.863 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.541 -1.022 -7.297 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.951 -1.288 -5.586 1.00 0.00 H new ATOM 503 N GLN A 36 -0.850 4.283 -7.148 1.00 0.00 N ATOM 504 CA GLN A 36 -0.025 5.433 -6.822 1.00 0.00 C ATOM 505 C GLN A 36 -0.826 6.726 -6.989 1.00 0.00 C ATOM 506 O GLN A 36 -0.874 7.553 -6.080 1.00 0.00 O ATOM 507 CB GLN A 36 1.243 5.459 -7.678 1.00 0.00 C ATOM 508 CG GLN A 36 2.456 5.886 -6.849 1.00 0.00 C ATOM 509 CD GLN A 36 3.719 5.937 -7.712 1.00 0.00 C ATOM 510 OE1 GLN A 36 3.737 5.518 -8.857 1.00 0.00 O ATOM 511 NE2 GLN A 36 4.771 6.473 -7.099 1.00 0.00 N ATOM 0 H GLN A 36 -0.585 3.797 -8.005 1.00 0.00 H new ATOM 0 HA GLN A 36 0.282 5.351 -5.779 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.419 4.471 -8.104 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.108 6.147 -8.513 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.273 6.866 -6.408 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.602 5.188 -6.025 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.687 6.804 -6.138 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.662 6.553 -7.590 1.00 0.00 H new ATOM 520 N ASN A 37 -1.435 6.860 -8.158 1.00 0.00 N ATOM 521 CA ASN A 37 -2.232 8.038 -8.456 1.00 0.00 C ATOM 522 C ASN A 37 -3.523 7.996 -7.637 1.00 0.00 C ATOM 523 O ASN A 37 -4.223 9.001 -7.522 1.00 0.00 O ATOM 524 CB ASN A 37 -2.612 8.086 -9.937 1.00 0.00 C ATOM 525 CG ASN A 37 -2.084 9.360 -10.599 1.00 0.00 C ATOM 526 OD1 ASN A 37 -1.871 10.379 -9.962 1.00 0.00 O ATOM 527 ND2 ASN A 37 -1.885 9.247 -11.909 1.00 0.00 N ATOM 0 H ASN A 37 -1.393 6.172 -8.910 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.639 8.918 -8.208 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.208 7.212 -10.448 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.696 8.042 -10.039 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.534 10.043 -12.442 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.084 8.365 -12.381 1.00 0.00 H new ATOM 534 N GLU A 38 -3.801 6.821 -7.089 1.00 0.00 N ATOM 535 CA GLU A 38 -4.996 6.635 -6.284 1.00 0.00 C ATOM 536 C GLU A 38 -4.690 6.903 -4.809 1.00 0.00 C ATOM 537 O GLU A 38 -5.332 7.742 -4.181 1.00 0.00 O ATOM 538 CB GLU A 38 -5.574 5.231 -6.478 1.00 0.00 C ATOM 539 CG GLU A 38 -6.151 5.066 -7.885 1.00 0.00 C ATOM 540 CD GLU A 38 -7.276 6.072 -8.138 1.00 0.00 C ATOM 541 OE1 GLU A 38 -8.038 6.323 -7.180 1.00 0.00 O ATOM 542 OE2 GLU A 38 -7.348 6.566 -9.284 1.00 0.00 O ATOM 0 H GLU A 38 -3.219 5.989 -7.187 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.748 7.351 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.795 4.487 -6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.353 5.049 -5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.362 5.204 -8.624 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.530 4.052 -8.010 1.00 0.00 H new ATOM 549 N MET A 39 -3.708 6.173 -4.300 1.00 0.00 N ATOM 550 CA MET A 39 -3.309 6.322 -2.911 1.00 0.00 C ATOM 551 C MET A 39 -1.793 6.489 -2.791 1.00 0.00 C ATOM 552 O MET A 39 -1.104 5.603 -2.288 1.00 0.00 O ATOM 553 CB MET A 39 -3.750 5.090 -2.118 1.00 0.00 C ATOM 554 CG MET A 39 -5.189 4.701 -2.465 1.00 0.00 C ATOM 555 SD MET A 39 -5.225 3.065 -3.177 1.00 0.00 S ATOM 556 CE MET A 39 -4.498 2.130 -1.841 1.00 0.00 C ATOM 0 H MET A 39 -3.177 5.477 -4.824 1.00 0.00 H new ATOM 0 HA MET A 39 -3.788 7.215 -2.509 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.082 4.256 -2.333 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.672 5.293 -1.050 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.808 4.730 -1.569 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.610 5.421 -3.167 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.787 1.083 -1.930 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.412 2.212 -1.888 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.850 2.524 -0.888 1.00 0.00 H new ATOM 566 N PRO A 40 -1.304 7.663 -3.274 1.00 0.00 N ATOM 567 CA PRO A 40 0.118 7.958 -3.226 1.00 0.00 C ATOM 568 C PRO A 40 0.554 8.322 -1.805 1.00 0.00 C ATOM 569 O PRO A 40 1.744 8.487 -1.541 1.00 0.00 O ATOM 570 CB PRO A 40 0.317 9.093 -4.217 1.00 0.00 C ATOM 571 CG PRO A 40 -1.058 9.701 -4.437 1.00 0.00 C ATOM 572 CD PRO A 40 -2.090 8.736 -3.876 1.00 0.00 C ATOM 0 HA PRO A 40 0.735 7.100 -3.493 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.014 9.835 -3.826 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.735 8.725 -5.154 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.131 10.669 -3.941 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.234 9.873 -5.499 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.727 9.223 -3.138 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.744 8.356 -4.660 1.00 0.00 H new ATOM 580 N HIS A 41 -0.432 8.435 -0.928 1.00 0.00 N ATOM 581 CA HIS A 41 -0.165 8.776 0.459 1.00 0.00 C ATOM 582 C HIS A 41 0.252 7.519 1.225 1.00 0.00 C ATOM 583 O HIS A 41 0.658 7.599 2.383 1.00 0.00 O ATOM 584 CB HIS A 41 -1.368 9.481 1.087 1.00 0.00 C ATOM 585 CG HIS A 41 -2.643 8.673 1.048 1.00 0.00 C ATOM 586 ND1 HIS A 41 -3.738 9.036 0.283 1.00 0.00 N ATOM 587 CD2 HIS A 41 -2.985 7.517 1.686 1.00 0.00 C ATOM 588 CE1 HIS A 41 -4.690 8.132 0.461 1.00 0.00 C ATOM 589 NE2 HIS A 41 -4.222 7.192 1.331 1.00 0.00 N ATOM 0 H HIS A 41 -1.418 8.296 -1.151 1.00 0.00 H new ATOM 0 HA HIS A 41 0.663 9.483 0.510 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -1.134 9.722 2.124 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -1.533 10.426 0.570 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -2.356 6.960 2.365 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -5.666 8.138 -0.002 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.738 6.374 1.655 1.00 0.00 H new ATOM 597 N ILE A 42 0.137 6.386 0.547 1.00 0.00 N ATOM 598 CA ILE A 42 0.496 5.114 1.150 1.00 0.00 C ATOM 599 C ILE A 42 2.018 4.958 1.131 1.00 0.00 C ATOM 600 O ILE A 42 2.688 5.475 0.239 1.00 0.00 O ATOM 601 CB ILE A 42 -0.248 3.967 0.463 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.743 4.271 0.354 1.00 0.00 C ATOM 603 CG2 ILE A 42 0.017 2.638 1.174 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.478 3.874 1.635 1.00 0.00 C ATOM 0 H ILE A 42 -0.200 6.323 -0.414 1.00 0.00 H new ATOM 0 HA ILE A 42 0.185 5.085 2.194 1.00 0.00 H new ATOM 0 HB ILE A 42 0.136 3.871 -0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.888 5.334 0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.166 3.733 -0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.523 1.839 0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.085 2.422 1.156 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.322 2.705 2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.539 4.101 1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.351 2.806 1.811 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.069 4.432 2.477 1.00 0.00 H new ATOM 616 N GLU A 43 2.520 4.243 2.127 1.00 0.00 N ATOM 617 CA GLU A 43 3.950 4.012 2.237 1.00 0.00 C ATOM 618 C GLU A 43 4.384 2.902 1.278 1.00 0.00 C ATOM 619 O GLU A 43 3.566 2.085 0.858 1.00 0.00 O ATOM 620 CB GLU A 43 4.343 3.677 3.677 1.00 0.00 C ATOM 621 CG GLU A 43 4.563 4.951 4.496 1.00 0.00 C ATOM 622 CD GLU A 43 5.906 4.906 5.229 1.00 0.00 C ATOM 623 OE1 GLU A 43 6.271 3.798 5.678 1.00 0.00 O ATOM 624 OE2 GLU A 43 6.537 5.981 5.323 1.00 0.00 O ATOM 0 H GLU A 43 1.961 3.816 2.866 1.00 0.00 H new ATOM 0 HA GLU A 43 4.468 4.929 1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.562 3.073 4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.253 3.077 3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.532 5.820 3.839 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.754 5.068 5.218 1.00 0.00 H new ATOM 631 N ALA A 44 5.670 2.907 0.960 1.00 0.00 N ATOM 632 CA ALA A 44 6.222 1.910 0.058 1.00 0.00 C ATOM 633 C ALA A 44 5.969 0.515 0.631 1.00 0.00 C ATOM 634 O ALA A 44 5.541 -0.387 -0.087 1.00 0.00 O ATOM 635 CB ALA A 44 7.711 2.189 -0.162 1.00 0.00 C ATOM 0 H ALA A 44 6.346 3.586 1.311 1.00 0.00 H new ATOM 0 HA ALA A 44 5.734 1.960 -0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.125 1.441 -0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.835 3.181 -0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.235 2.144 0.793 1.00 0.00 H new ATOM 641 N GLN A 45 6.245 0.380 1.920 1.00 0.00 N ATOM 642 CA GLN A 45 6.052 -0.891 2.598 1.00 0.00 C ATOM 643 C GLN A 45 4.560 -1.163 2.802 1.00 0.00 C ATOM 644 O GLN A 45 4.091 -2.275 2.565 1.00 0.00 O ATOM 645 CB GLN A 45 6.802 -0.920 3.931 1.00 0.00 C ATOM 646 CG GLN A 45 8.142 -1.644 3.791 1.00 0.00 C ATOM 647 CD GLN A 45 9.079 -1.293 4.948 1.00 0.00 C ATOM 648 OE1 GLN A 45 9.277 -0.139 5.292 1.00 0.00 O ATOM 649 NE2 GLN A 45 9.643 -2.349 5.528 1.00 0.00 N ATOM 0 H GLN A 45 6.601 1.130 2.513 1.00 0.00 H new ATOM 0 HA GLN A 45 6.463 -1.682 1.970 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.970 0.099 4.280 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.192 -1.419 4.685 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.976 -2.721 3.766 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.609 -1.372 2.845 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.434 -3.289 5.190 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.285 -2.219 6.310 1.00 0.00 H new ATOM 658 N GLN A 46 3.857 -0.128 3.238 1.00 0.00 N ATOM 659 CA GLN A 46 2.428 -0.242 3.476 1.00 0.00 C ATOM 660 C GLN A 46 1.709 -0.674 2.196 1.00 0.00 C ATOM 661 O GLN A 46 0.787 -1.487 2.242 1.00 0.00 O ATOM 662 CB GLN A 46 1.855 1.073 4.010 1.00 0.00 C ATOM 663 CG GLN A 46 2.406 1.386 5.402 1.00 0.00 C ATOM 664 CD GLN A 46 1.636 0.621 6.481 1.00 0.00 C ATOM 665 OE1 GLN A 46 1.717 -0.591 6.597 1.00 0.00 O ATOM 666 NE2 GLN A 46 0.887 1.395 7.262 1.00 0.00 N ATOM 0 H GLN A 46 4.250 0.793 3.433 1.00 0.00 H new ATOM 0 HA GLN A 46 2.266 -1.006 4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.101 1.885 3.326 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.768 1.010 4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.462 1.121 5.447 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.338 2.457 5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.865 2.403 7.110 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.335 0.980 8.013 1.00 0.00 H new ATOM 675 N ARG A 47 2.159 -0.111 1.084 1.00 0.00 N ATOM 676 CA ARG A 47 1.570 -0.428 -0.206 1.00 0.00 C ATOM 677 C ARG A 47 1.781 -1.907 -0.536 1.00 0.00 C ATOM 678 O ARG A 47 0.858 -2.584 -0.986 1.00 0.00 O ATOM 679 CB ARG A 47 2.182 0.429 -1.316 1.00 0.00 C ATOM 680 CG ARG A 47 1.225 1.544 -1.739 1.00 0.00 C ATOM 681 CD ARG A 47 1.416 1.900 -3.215 1.00 0.00 C ATOM 682 NE ARG A 47 2.175 3.164 -3.337 1.00 0.00 N ATOM 683 CZ ARG A 47 3.513 3.241 -3.326 1.00 0.00 C ATOM 684 NH1 ARG A 47 4.247 2.127 -3.199 1.00 0.00 N ATOM 685 NH2 ARG A 47 4.116 4.432 -3.443 1.00 0.00 N ATOM 0 H ARG A 47 2.924 0.562 1.050 1.00 0.00 H new ATOM 0 HA ARG A 47 0.503 -0.215 -0.146 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.120 0.862 -0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.418 -0.198 -2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.196 1.229 -1.567 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.395 2.427 -1.123 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.947 1.097 -3.725 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.446 2.000 -3.702 1.00 0.00 H new ATOM 0 HE ARG A 47 1.647 4.031 -3.436 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.787 1.221 -3.111 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.265 2.185 -3.191 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.557 5.279 -3.540 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.134 4.491 -3.435 1.00 0.00 H new ATOM 699 N ALA A 48 3.002 -2.364 -0.301 1.00 0.00 N ATOM 700 CA ALA A 48 3.346 -3.751 -0.568 1.00 0.00 C ATOM 701 C ALA A 48 2.681 -4.647 0.478 1.00 0.00 C ATOM 702 O ALA A 48 2.171 -5.717 0.150 1.00 0.00 O ATOM 703 CB ALA A 48 4.868 -3.905 -0.587 1.00 0.00 C ATOM 0 H ALA A 48 3.765 -1.799 0.071 1.00 0.00 H new ATOM 0 HA ALA A 48 2.976 -4.057 -1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.126 -4.945 -0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.288 -3.270 -1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.276 -3.610 0.380 1.00 0.00 H new ATOM 709 N VAL A 49 2.710 -4.178 1.717 1.00 0.00 N ATOM 710 CA VAL A 49 2.116 -4.924 2.813 1.00 0.00 C ATOM 711 C VAL A 49 0.725 -5.408 2.401 1.00 0.00 C ATOM 712 O VAL A 49 0.510 -6.604 2.213 1.00 0.00 O ATOM 713 CB VAL A 49 2.100 -4.068 4.081 1.00 0.00 C ATOM 714 CG1 VAL A 49 1.013 -4.539 5.048 1.00 0.00 C ATOM 715 CG2 VAL A 49 3.473 -4.064 4.758 1.00 0.00 C ATOM 0 H VAL A 49 3.136 -3.291 1.986 1.00 0.00 H new ATOM 0 HA VAL A 49 2.713 -5.807 3.041 1.00 0.00 H new ATOM 0 HB VAL A 49 1.867 -3.044 3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.024 -3.913 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.039 -4.465 4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.200 -5.575 5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.434 -3.448 5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.748 -5.083 5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.216 -3.657 4.072 1.00 0.00 H new ATOM 725 N ALA A 50 -0.185 -4.453 2.273 1.00 0.00 N ATOM 726 CA ALA A 50 -1.550 -4.767 1.887 1.00 0.00 C ATOM 727 C ALA A 50 -1.531 -5.731 0.699 1.00 0.00 C ATOM 728 O ALA A 50 -2.216 -6.753 0.713 1.00 0.00 O ATOM 729 CB ALA A 50 -2.303 -3.472 1.575 1.00 0.00 C ATOM 0 H ALA A 50 -0.003 -3.462 2.430 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.076 -5.261 2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.327 -3.707 1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.313 -2.835 2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.806 -2.950 0.758 1.00 0.00 H new ATOM 735 N ILE A 51 -0.738 -5.373 -0.300 1.00 0.00 N ATOM 736 CA ILE A 51 -0.621 -6.193 -1.493 1.00 0.00 C ATOM 737 C ILE A 51 -0.271 -7.627 -1.089 1.00 0.00 C ATOM 738 O ILE A 51 -1.039 -8.553 -1.347 1.00 0.00 O ATOM 739 CB ILE A 51 0.375 -5.571 -2.475 1.00 0.00 C ATOM 740 CG1 ILE A 51 -0.232 -4.351 -3.172 1.00 0.00 C ATOM 741 CG2 ILE A 51 0.879 -6.612 -3.477 1.00 0.00 C ATOM 742 CD1 ILE A 51 0.862 -3.401 -3.664 1.00 0.00 C ATOM 0 H ILE A 51 -0.170 -4.526 -0.307 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.573 -6.233 -2.022 1.00 0.00 H new ATOM 0 HB ILE A 51 1.240 -5.222 -1.910 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.843 -4.675 -4.014 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.893 -3.825 -2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.585 -6.144 -4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.375 -7.422 -2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.036 -7.012 -4.041 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.404 -2.542 -4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.456 -3.060 -2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.506 -3.923 -4.371 1.00 0.00 H new ATOM 754 N ASN A 52 0.887 -7.765 -0.461 1.00 0.00 N ATOM 755 CA ASN A 52 1.348 -9.070 -0.018 1.00 0.00 C ATOM 756 C ASN A 52 0.209 -9.787 0.710 1.00 0.00 C ATOM 757 O ASN A 52 -0.134 -10.919 0.371 1.00 0.00 O ATOM 758 CB ASN A 52 2.522 -8.939 0.953 1.00 0.00 C ATOM 759 CG ASN A 52 3.643 -9.918 0.594 1.00 0.00 C ATOM 760 OD1 ASN A 52 3.411 -11.034 0.158 1.00 0.00 O ATOM 761 ND2 ASN A 52 4.866 -9.439 0.800 1.00 0.00 N ATOM 0 H ASN A 52 1.520 -6.994 -0.248 1.00 0.00 H new ATOM 0 HA ASN A 52 1.668 -9.631 -0.896 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.905 -7.919 0.931 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.180 -9.129 1.970 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.681 -10.015 0.591 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.989 -8.495 1.167 1.00 0.00 H new ATOM 768 N ARG A 53 -0.344 -9.100 1.698 1.00 0.00 N ATOM 769 CA ARG A 53 -1.437 -9.657 2.477 1.00 0.00 C ATOM 770 C ARG A 53 -2.510 -10.233 1.551 1.00 0.00 C ATOM 771 O ARG A 53 -2.841 -11.414 1.638 1.00 0.00 O ATOM 772 CB ARG A 53 -2.068 -8.594 3.379 1.00 0.00 C ATOM 773 CG ARG A 53 -1.553 -8.717 4.815 1.00 0.00 C ATOM 774 CD ARG A 53 -1.018 -7.376 5.321 1.00 0.00 C ATOM 775 NE ARG A 53 -1.931 -6.821 6.345 1.00 0.00 N ATOM 776 CZ ARG A 53 -2.256 -7.451 7.483 1.00 0.00 C ATOM 777 NH1 ARG A 53 -1.744 -8.661 7.748 1.00 0.00 N ATOM 778 NH2 ARG A 53 -3.092 -6.871 8.354 1.00 0.00 N ATOM 0 H ARG A 53 -0.056 -8.162 1.977 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.028 -10.451 3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.840 -7.601 2.991 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.153 -8.700 3.368 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.357 -9.061 5.466 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.764 -9.468 4.859 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.022 -7.508 5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.922 -6.677 4.490 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.339 -5.902 6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.107 -9.102 7.084 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.991 -9.141 8.614 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.481 -5.950 8.151 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.339 -7.350 9.220 1.00 0.00 H new ATOM 792 N LEU A 54 -3.023 -9.371 0.685 1.00 0.00 N ATOM 793 CA LEU A 54 -4.052 -9.780 -0.256 1.00 0.00 C ATOM 794 C LEU A 54 -3.535 -10.952 -1.093 1.00 0.00 C ATOM 795 O LEU A 54 -4.198 -11.982 -1.201 1.00 0.00 O ATOM 796 CB LEU A 54 -4.518 -8.586 -1.092 1.00 0.00 C ATOM 797 CG LEU A 54 -5.141 -7.425 -0.314 1.00 0.00 C ATOM 798 CD1 LEU A 54 -5.836 -6.443 -1.258 1.00 0.00 C ATOM 799 CD2 LEU A 54 -6.086 -7.940 0.775 1.00 0.00 C ATOM 0 H LEU A 54 -2.745 -8.392 0.615 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.936 -10.133 0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.664 -8.205 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.246 -8.941 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.340 -6.879 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.270 -5.628 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.109 -6.040 -1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.625 -6.960 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.516 -7.095 1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.885 -8.523 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.531 -8.569 1.471 1.00 0.00 H new ATOM 811 N LEU A 55 -2.356 -10.755 -1.664 1.00 0.00 N ATOM 812 CA LEU A 55 -1.742 -11.782 -2.488 1.00 0.00 C ATOM 813 C LEU A 55 -1.898 -13.141 -1.802 1.00 0.00 C ATOM 814 O LEU A 55 -2.338 -14.107 -2.423 1.00 0.00 O ATOM 815 CB LEU A 55 -0.291 -11.418 -2.807 1.00 0.00 C ATOM 816 CG LEU A 55 -0.090 -10.240 -3.762 1.00 0.00 C ATOM 817 CD1 LEU A 55 1.394 -9.888 -3.894 1.00 0.00 C ATOM 818 CD2 LEU A 55 -0.735 -10.519 -5.121 1.00 0.00 C ATOM 0 H LEU A 55 -1.809 -9.899 -1.572 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.248 -11.850 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.221 -11.193 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.197 -12.294 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.592 -9.369 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.509 -9.048 -4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.792 -9.617 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.939 -10.749 -4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.577 -9.666 -5.781 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.283 -11.407 -5.563 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.805 -10.683 -4.989 1.00 0.00 H new ATOM 830 N SER A 56 -1.529 -13.171 -0.530 1.00 0.00 N ATOM 831 CA SER A 56 -1.623 -14.395 0.248 1.00 0.00 C ATOM 832 C SER A 56 -3.084 -14.681 0.600 1.00 0.00 C ATOM 833 O SER A 56 -3.628 -15.716 0.217 1.00 0.00 O ATOM 834 CB SER A 56 -0.778 -14.306 1.520 1.00 0.00 C ATOM 835 OG SER A 56 -0.695 -15.558 2.194 1.00 0.00 O ATOM 0 H SER A 56 -1.164 -12.367 -0.018 1.00 0.00 H new ATOM 0 HA SER A 56 -1.235 -15.215 -0.357 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.225 -13.964 1.266 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.208 -13.561 2.190 1.00 0.00 H new ATOM 0 HG SER A 56 -0.146 -15.460 3.000 1.00 0.00 H new ATOM 841 N MET A 57 -3.679 -13.745 1.325 1.00 0.00 N ATOM 842 CA MET A 57 -5.067 -13.884 1.733 1.00 0.00 C ATOM 843 C MET A 57 -5.905 -14.517 0.620 1.00 0.00 C ATOM 844 O MET A 57 -6.888 -15.204 0.894 1.00 0.00 O ATOM 845 CB MET A 57 -5.637 -12.507 2.080 1.00 0.00 C ATOM 846 CG MET A 57 -5.042 -11.981 3.388 1.00 0.00 C ATOM 847 SD MET A 57 -6.349 -11.478 4.494 1.00 0.00 S ATOM 848 CE MET A 57 -6.183 -9.704 4.384 1.00 0.00 C ATOM 0 H MET A 57 -3.225 -12.888 1.640 1.00 0.00 H new ATOM 0 HA MET A 57 -5.106 -14.535 2.607 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.424 -11.807 1.272 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.722 -12.570 2.169 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.434 -12.754 3.858 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.382 -11.138 3.184 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.761 -9.234 5.180 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.133 -9.430 4.488 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.553 -9.363 3.417 1.00 0.00 H new ATOM 858 N GLY A 58 -5.484 -14.265 -0.610 1.00 0.00 N ATOM 859 CA GLY A 58 -6.184 -14.802 -1.765 1.00 0.00 C ATOM 860 C GLY A 58 -7.267 -13.835 -2.249 1.00 0.00 C ATOM 861 O GLY A 58 -8.179 -14.232 -2.972 1.00 0.00 O ATOM 0 H GLY A 58 -4.667 -13.696 -0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.474 -14.990 -2.570 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.636 -15.760 -1.508 1.00 0.00 H new ATOM 865 N GLN A 59 -7.130 -12.586 -1.829 1.00 0.00 N ATOM 866 CA GLN A 59 -8.086 -11.560 -2.211 1.00 0.00 C ATOM 867 C GLN A 59 -7.607 -10.829 -3.467 1.00 0.00 C ATOM 868 O GLN A 59 -8.418 -10.393 -4.283 1.00 0.00 O ATOM 869 CB GLN A 59 -8.323 -10.578 -1.062 1.00 0.00 C ATOM 870 CG GLN A 59 -8.853 -11.301 0.178 1.00 0.00 C ATOM 871 CD GLN A 59 -10.375 -11.172 0.280 1.00 0.00 C ATOM 872 OE1 GLN A 59 -11.124 -11.715 -0.515 1.00 0.00 O ATOM 873 NE2 GLN A 59 -10.786 -10.423 1.299 1.00 0.00 N ATOM 0 H GLN A 59 -6.372 -12.261 -1.228 1.00 0.00 H new ATOM 0 HA GLN A 59 -9.037 -12.042 -2.436 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.392 -10.066 -0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.035 -9.814 -1.373 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.576 -12.354 0.135 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.389 -10.885 1.072 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.104 -9.998 1.927 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.783 -10.274 1.453 1.00 0.00 H new ATOM 882 N LEU A 60 -6.292 -10.718 -3.583 1.00 0.00 N ATOM 883 CA LEU A 60 -5.695 -10.047 -4.725 1.00 0.00 C ATOM 884 C LEU A 60 -5.016 -11.084 -5.622 1.00 0.00 C ATOM 885 O LEU A 60 -4.531 -12.106 -5.139 1.00 0.00 O ATOM 886 CB LEU A 60 -4.760 -8.928 -4.262 1.00 0.00 C ATOM 887 CG LEU A 60 -4.023 -8.170 -5.368 1.00 0.00 C ATOM 888 CD1 LEU A 60 -5.005 -7.609 -6.398 1.00 0.00 C ATOM 889 CD2 LEU A 60 -3.124 -7.080 -4.779 1.00 0.00 C ATOM 0 H LEU A 60 -5.623 -11.082 -2.905 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.464 -9.560 -5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.342 -8.211 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.019 -9.356 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.376 -8.874 -5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.454 -7.075 -7.173 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.565 -8.427 -6.850 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.696 -6.924 -5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.611 -6.556 -5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.732 -6.372 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.388 -7.534 -4.116 1.00 0.00 H new ATOM 901 N ASP A 61 -5.004 -10.786 -6.913 1.00 0.00 N ATOM 902 CA ASP A 61 -4.392 -11.679 -7.882 1.00 0.00 C ATOM 903 C ASP A 61 -3.305 -10.925 -8.650 1.00 0.00 C ATOM 904 O ASP A 61 -3.577 -9.899 -9.271 1.00 0.00 O ATOM 905 CB ASP A 61 -5.423 -12.183 -8.895 1.00 0.00 C ATOM 906 CG ASP A 61 -5.498 -13.704 -9.039 1.00 0.00 C ATOM 907 OD1 ASP A 61 -4.579 -14.370 -8.516 1.00 0.00 O ATOM 908 OD2 ASP A 61 -6.473 -14.167 -9.670 1.00 0.00 O ATOM 0 H ASP A 61 -5.409 -9.938 -7.311 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.973 -12.527 -7.340 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.406 -11.812 -8.606 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.194 -11.752 -9.869 1.00 0.00 H new ATOM 913 N LEU A 62 -2.096 -11.463 -8.581 1.00 0.00 N ATOM 914 CA LEU A 62 -0.966 -10.853 -9.262 1.00 0.00 C ATOM 915 C LEU A 62 -0.907 -11.366 -10.703 1.00 0.00 C ATOM 916 O LEU A 62 -1.230 -12.523 -10.967 1.00 0.00 O ATOM 917 CB LEU A 62 0.324 -11.086 -8.474 1.00 0.00 C ATOM 918 CG LEU A 62 1.371 -9.974 -8.557 1.00 0.00 C ATOM 919 CD1 LEU A 62 2.481 -10.187 -7.526 1.00 0.00 C ATOM 920 CD2 LEU A 62 1.925 -9.847 -9.978 1.00 0.00 C ATOM 0 H LEU A 62 -1.874 -12.314 -8.064 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.091 -9.771 -9.312 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.064 -11.236 -7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.778 -12.013 -8.825 1.00 0.00 H new ATOM 0 HG LEU A 62 0.885 -9.029 -8.315 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.212 -9.382 -7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.052 -10.188 -6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.971 -11.143 -7.712 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.667 -9.049 -10.009 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.390 -10.788 -10.272 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.112 -9.613 -10.666 1.00 0.00 H new ATOM 932 N LEU A 63 -0.493 -10.480 -11.596 1.00 0.00 N ATOM 933 CA LEU A 63 -0.387 -10.828 -13.003 1.00 0.00 C ATOM 934 C LEU A 63 0.845 -10.148 -13.601 1.00 0.00 C ATOM 935 O LEU A 63 0.839 -8.940 -13.837 1.00 0.00 O ATOM 936 CB LEU A 63 -1.689 -10.498 -13.735 1.00 0.00 C ATOM 937 CG LEU A 63 -2.528 -11.696 -14.186 1.00 0.00 C ATOM 938 CD1 LEU A 63 -4.023 -11.398 -14.059 1.00 0.00 C ATOM 939 CD2 LEU A 63 -2.148 -12.128 -15.604 1.00 0.00 C ATOM 0 H LEU A 63 -0.227 -9.521 -11.373 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.246 -11.902 -13.121 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.302 -9.876 -13.083 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.447 -9.898 -14.612 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.310 -12.534 -13.524 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.596 -12.266 -14.386 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.263 -11.176 -13.019 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.277 -10.540 -14.681 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.759 -12.981 -15.900 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.319 -11.302 -16.294 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.095 -12.409 -15.629 1.00 0.00 H new ATOM 951 N ARG A 64 1.873 -10.951 -13.831 1.00 0.00 N ATOM 952 CA ARG A 64 3.110 -10.442 -14.398 1.00 0.00 C ATOM 953 C ARG A 64 2.953 -10.222 -15.904 1.00 0.00 C ATOM 954 O ARG A 64 2.815 -11.179 -16.663 1.00 0.00 O ATOM 955 CB ARG A 64 4.269 -11.408 -14.148 1.00 0.00 C ATOM 956 CG ARG A 64 4.497 -11.617 -12.650 1.00 0.00 C ATOM 957 CD ARG A 64 5.991 -11.639 -12.320 1.00 0.00 C ATOM 958 NE ARG A 64 6.191 -12.001 -10.899 1.00 0.00 N ATOM 959 CZ ARG A 64 6.037 -13.240 -10.412 1.00 0.00 C ATOM 960 NH1 ARG A 64 5.681 -14.242 -11.227 1.00 0.00 N ATOM 961 NH2 ARG A 64 6.239 -13.477 -9.108 1.00 0.00 N ATOM 0 H ARG A 64 1.875 -11.952 -13.635 1.00 0.00 H new ATOM 0 HA ARG A 64 3.332 -9.493 -13.910 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.058 -12.366 -14.624 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.178 -11.018 -14.606 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.009 -10.820 -12.090 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.038 -12.554 -12.336 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.503 -12.356 -12.962 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.430 -10.662 -12.520 1.00 0.00 H new ATOM 0 HE ARG A 64 6.463 -11.262 -10.250 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.527 -14.062 -12.219 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.564 -15.185 -10.855 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.510 -12.714 -8.487 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.122 -14.420 -8.737 1.00 0.00 H new ATOM 975 N SER A 65 2.978 -8.955 -16.290 1.00 0.00 N ATOM 976 CA SER A 65 2.840 -8.597 -17.692 1.00 0.00 C ATOM 977 C SER A 65 4.166 -8.050 -18.225 1.00 0.00 C ATOM 978 O SER A 65 4.958 -8.790 -18.807 1.00 0.00 O ATOM 979 CB SER A 65 1.724 -7.570 -17.891 1.00 0.00 C ATOM 980 OG SER A 65 1.694 -7.065 -19.223 1.00 0.00 O ATOM 0 H SER A 65 3.092 -8.163 -15.657 1.00 0.00 H new ATOM 0 HA SER A 65 2.574 -9.495 -18.250 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.763 -8.028 -17.655 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.863 -6.744 -17.193 1.00 0.00 H new ATOM 0 HG SER A 65 0.967 -6.414 -19.310 1.00 0.00 H new ATOM 986 N ASN A 66 4.367 -6.758 -18.008 1.00 0.00 N ATOM 987 CA ASN A 66 5.582 -6.104 -18.459 1.00 0.00 C ATOM 988 C ASN A 66 5.693 -4.729 -17.796 1.00 0.00 C ATOM 989 O ASN A 66 4.690 -4.162 -17.365 1.00 0.00 O ATOM 990 CB ASN A 66 5.567 -5.897 -19.975 1.00 0.00 C ATOM 991 CG ASN A 66 6.925 -5.400 -20.475 1.00 0.00 C ATOM 992 OD1 ASN A 66 7.952 -5.583 -19.843 1.00 0.00 O ATOM 993 ND2 ASN A 66 6.872 -4.764 -21.641 1.00 0.00 N ATOM 0 H ASN A 66 3.708 -6.147 -17.525 1.00 0.00 H new ATOM 0 HA ASN A 66 6.426 -6.739 -18.190 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.314 -6.834 -20.471 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.793 -5.177 -20.239 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.726 -4.394 -22.060 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.978 -4.646 -22.117 1.00 0.00 H new ATOM 1000 N THR A 67 6.920 -4.234 -17.735 1.00 0.00 N ATOM 1001 CA THR A 67 7.175 -2.936 -17.132 1.00 0.00 C ATOM 1002 C THR A 67 6.431 -2.813 -15.800 1.00 0.00 C ATOM 1003 O THR A 67 5.917 -1.745 -15.469 1.00 0.00 O ATOM 1004 CB THR A 67 6.787 -1.859 -18.146 1.00 0.00 C ATOM 1005 OG1 THR A 67 5.508 -2.271 -18.619 1.00 0.00 O ATOM 1006 CG2 THR A 67 7.672 -1.885 -19.395 1.00 0.00 C ATOM 0 H THR A 67 7.749 -4.708 -18.093 1.00 0.00 H new ATOM 0 HA THR A 67 8.231 -2.811 -16.892 1.00 0.00 H new ATOM 0 HB THR A 67 6.851 -0.878 -17.675 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.968 -2.589 -17.866 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.354 -1.101 -20.082 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.710 -1.718 -19.109 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.582 -2.855 -19.884 1.00 0.00 H new ATOM 1014 N GLY A 68 6.398 -3.920 -15.073 1.00 0.00 N ATOM 1015 CA GLY A 68 5.726 -3.948 -13.785 1.00 0.00 C ATOM 1016 C GLY A 68 4.671 -5.056 -13.741 1.00 0.00 C ATOM 1017 O GLY A 68 4.207 -5.517 -14.783 1.00 0.00 O ATOM 0 H GLY A 68 6.825 -4.803 -15.351 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.458 -4.106 -12.992 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.254 -2.984 -13.596 1.00 0.00 H new ATOM 1021 N LEU A 69 4.324 -5.451 -12.525 1.00 0.00 N ATOM 1022 CA LEU A 69 3.332 -6.495 -12.332 1.00 0.00 C ATOM 1023 C LEU A 69 1.936 -5.871 -12.317 1.00 0.00 C ATOM 1024 O LEU A 69 1.796 -4.656 -12.180 1.00 0.00 O ATOM 1025 CB LEU A 69 3.653 -7.314 -11.080 1.00 0.00 C ATOM 1026 CG LEU A 69 5.129 -7.381 -10.683 1.00 0.00 C ATOM 1027 CD1 LEU A 69 5.359 -8.440 -9.602 1.00 0.00 C ATOM 1028 CD2 LEU A 69 6.017 -7.612 -11.908 1.00 0.00 C ATOM 0 H LEU A 69 4.712 -5.067 -11.663 1.00 0.00 H new ATOM 0 HA LEU A 69 3.356 -7.201 -13.162 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.091 -6.898 -10.244 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.292 -8.331 -11.233 1.00 0.00 H new ATOM 0 HG LEU A 69 5.411 -6.418 -10.257 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.416 -8.467 -9.338 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.771 -8.192 -8.719 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.054 -9.416 -9.978 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.061 -7.656 -11.598 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.741 -8.552 -12.385 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.882 -6.793 -12.615 1.00 0.00 H new ATOM 1040 N LEU A 70 0.937 -6.729 -12.459 1.00 0.00 N ATOM 1041 CA LEU A 70 -0.444 -6.277 -12.464 1.00 0.00 C ATOM 1042 C LEU A 70 -1.202 -6.956 -11.321 1.00 0.00 C ATOM 1043 O LEU A 70 -0.895 -8.089 -10.955 1.00 0.00 O ATOM 1044 CB LEU A 70 -1.076 -6.499 -13.839 1.00 0.00 C ATOM 1045 CG LEU A 70 -2.601 -6.386 -13.903 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -3.047 -5.715 -15.204 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -3.261 -7.752 -13.707 1.00 0.00 C ATOM 0 H LEU A 70 1.056 -7.736 -12.572 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.494 -5.203 -12.287 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.649 -5.776 -14.534 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.790 -7.489 -14.193 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.931 -5.749 -13.083 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.135 -5.647 -15.224 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.620 -4.714 -15.262 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.705 -6.305 -16.054 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.344 -7.643 -13.757 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.928 -8.433 -14.491 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.981 -8.155 -12.734 1.00 0.00 H new ATOM 1059 N TYR A 71 -2.178 -6.234 -10.790 1.00 0.00 N ATOM 1060 CA TYR A 71 -2.983 -6.752 -9.697 1.00 0.00 C ATOM 1061 C TYR A 71 -4.475 -6.635 -10.011 1.00 0.00 C ATOM 1062 O TYR A 71 -4.961 -5.555 -10.344 1.00 0.00 O ATOM 1063 CB TYR A 71 -2.659 -5.878 -8.484 1.00 0.00 C ATOM 1064 CG TYR A 71 -1.164 -5.629 -8.278 1.00 0.00 C ATOM 1065 CD1 TYR A 71 -0.284 -6.692 -8.251 1.00 0.00 C ATOM 1066 CD2 TYR A 71 -0.694 -4.341 -8.118 1.00 0.00 C ATOM 1067 CE1 TYR A 71 1.123 -6.457 -8.057 1.00 0.00 C ATOM 1068 CE2 TYR A 71 0.713 -4.106 -7.924 1.00 0.00 C ATOM 1069 CZ TYR A 71 1.553 -5.176 -7.903 1.00 0.00 C ATOM 1070 OH TYR A 71 2.882 -4.954 -7.720 1.00 0.00 O ATOM 0 H TYR A 71 -2.429 -5.294 -11.097 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.763 -7.805 -9.524 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.165 -4.919 -8.595 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.065 -6.351 -7.590 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.651 -7.700 -8.375 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.382 -3.509 -8.138 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.822 -7.280 -8.034 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.093 -3.103 -7.798 1.00 0.00 H new ATOM 0 HH TYR A 71 3.029 -4.011 -7.499 1.00 0.00 H new ATOM 1080 N ARG A 72 -5.162 -7.762 -9.895 1.00 0.00 N ATOM 1081 CA ARG A 72 -6.590 -7.800 -10.163 1.00 0.00 C ATOM 1082 C ARG A 72 -7.310 -8.620 -9.090 1.00 0.00 C ATOM 1083 O ARG A 72 -6.672 -9.179 -8.199 1.00 0.00 O ATOM 1084 CB ARG A 72 -6.877 -8.407 -11.537 1.00 0.00 C ATOM 1085 CG ARG A 72 -6.476 -9.883 -11.579 1.00 0.00 C ATOM 1086 CD ARG A 72 -7.269 -10.636 -12.650 1.00 0.00 C ATOM 1087 NE ARG A 72 -7.712 -11.946 -12.123 1.00 0.00 N ATOM 1088 CZ ARG A 72 -8.018 -13.000 -12.892 1.00 0.00 C ATOM 1089 NH1 ARG A 72 -7.931 -12.904 -14.226 1.00 0.00 N ATOM 1090 NH2 ARG A 72 -8.412 -14.150 -12.327 1.00 0.00 N ATOM 0 H ARG A 72 -4.756 -8.656 -9.619 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.957 -6.774 -10.148 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.938 -8.308 -11.768 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.331 -7.856 -12.303 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.409 -9.968 -11.784 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.650 -10.339 -10.604 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.133 -10.047 -12.956 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.652 -10.781 -13.537 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.789 -12.053 -11.112 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.632 -12.029 -14.656 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.164 -13.706 -14.811 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.479 -14.223 -11.312 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.645 -14.952 -12.912 1.00 0.00 H new ATOM 1104 N ILE A 73 -8.628 -8.666 -9.211 1.00 0.00 N ATOM 1105 CA ILE A 73 -9.442 -9.408 -8.263 1.00 0.00 C ATOM 1106 C ILE A 73 -9.221 -10.907 -8.473 1.00 0.00 C ATOM 1107 O ILE A 73 -9.305 -11.399 -9.598 1.00 0.00 O ATOM 1108 CB ILE A 73 -10.907 -8.982 -8.366 1.00 0.00 C ATOM 1109 CG1 ILE A 73 -11.292 -8.058 -7.208 1.00 0.00 C ATOM 1110 CG2 ILE A 73 -11.828 -10.201 -8.457 1.00 0.00 C ATOM 1111 CD1 ILE A 73 -10.956 -8.699 -5.860 1.00 0.00 C ATOM 0 H ILE A 73 -9.153 -8.201 -9.952 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.140 -9.180 -7.241 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.033 -8.414 -9.288 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.765 -7.109 -7.305 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.358 -7.837 -7.254 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.864 -9.870 -8.529 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.571 -10.786 -9.340 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.705 -10.817 -7.566 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.240 -8.022 -5.054 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.503 -9.636 -5.756 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.885 -8.897 -5.808 1.00 0.00 H new ATOM 1123 N LYS A 74 -8.943 -11.592 -7.374 1.00 0.00 N ATOM 1124 CA LYS A 74 -8.709 -13.025 -7.423 1.00 0.00 C ATOM 1125 C LYS A 74 -10.008 -13.736 -7.810 1.00 0.00 C ATOM 1126 O LYS A 74 -11.080 -13.390 -7.315 1.00 0.00 O ATOM 1127 CB LYS A 74 -8.109 -13.516 -6.104 1.00 0.00 C ATOM 1128 CG LYS A 74 -7.277 -14.782 -6.318 1.00 0.00 C ATOM 1129 CD LYS A 74 -6.103 -14.839 -5.339 1.00 0.00 C ATOM 1130 CE LYS A 74 -5.796 -16.282 -4.934 1.00 0.00 C ATOM 1131 NZ LYS A 74 -6.697 -16.717 -3.843 1.00 0.00 N ATOM 0 H LYS A 74 -8.874 -11.181 -6.443 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.972 -13.265 -8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.484 -12.735 -5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.907 -13.718 -5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.907 -15.662 -6.187 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.903 -14.807 -7.342 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.221 -14.391 -5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.336 -14.250 -4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.913 -16.940 -5.795 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.758 -16.362 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.134 -16.946 -2.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.364 -15.951 -3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.227 -17.559 -4.145 1.00 0.00 H new ATOM 1145 N ASP A 75 -9.869 -14.716 -8.690 1.00 0.00 N ATOM 1146 CA ASP A 75 -11.018 -15.478 -9.149 1.00 0.00 C ATOM 1147 C ASP A 75 -10.549 -16.845 -9.654 1.00 0.00 C ATOM 1148 O ASP A 75 -9.351 -17.076 -9.808 1.00 0.00 O ATOM 1149 CB ASP A 75 -11.726 -14.766 -10.303 1.00 0.00 C ATOM 1150 CG ASP A 75 -13.238 -14.993 -10.373 1.00 0.00 C ATOM 1151 OD1 ASP A 75 -13.885 -14.833 -9.315 1.00 0.00 O ATOM 1152 OD2 ASP A 75 -13.712 -15.322 -11.482 1.00 0.00 O ATOM 0 H ASP A 75 -8.978 -15.000 -9.098 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.709 -15.584 -8.312 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.538 -13.696 -10.220 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -11.280 -15.096 -11.242 1.00 0.00 H new ATOM 1157 N SER A 76 -11.519 -17.715 -9.896 1.00 0.00 N ATOM 1158 CA SER A 76 -11.221 -19.052 -10.380 1.00 0.00 C ATOM 1159 C SER A 76 -11.848 -19.261 -11.759 1.00 0.00 C ATOM 1160 O SER A 76 -13.066 -19.178 -11.910 1.00 0.00 O ATOM 1161 CB SER A 76 -11.722 -20.116 -9.401 1.00 0.00 C ATOM 1162 OG SER A 76 -10.791 -20.356 -8.350 1.00 0.00 O ATOM 0 H SER A 76 -12.512 -17.520 -9.766 1.00 0.00 H new ATOM 0 HA SER A 76 -10.139 -19.153 -10.462 1.00 0.00 H new ATOM 0 HB2 SER A 76 -12.674 -19.798 -8.976 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.908 -21.045 -9.940 1.00 0.00 H new ATOM 0 HG SER A 76 -11.149 -21.040 -7.746 1.00 0.00 H new ATOM 1168 N GLY A 77 -10.988 -19.529 -12.731 1.00 0.00 N ATOM 1169 CA GLY A 77 -11.443 -19.751 -14.093 1.00 0.00 C ATOM 1170 C GLY A 77 -12.101 -21.125 -14.234 1.00 0.00 C ATOM 1171 O GLY A 77 -11.814 -22.037 -13.460 1.00 0.00 O ATOM 0 H GLY A 77 -9.978 -19.597 -12.602 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.153 -18.973 -14.374 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.599 -19.676 -14.779 1.00 0.00 H new ATOM 1175 N PRO A 78 -12.994 -21.232 -15.254 1.00 0.00 N ATOM 1176 CA PRO A 78 -13.696 -22.479 -15.506 1.00 0.00 C ATOM 1177 C PRO A 78 -12.771 -23.505 -16.163 1.00 0.00 C ATOM 1178 O PRO A 78 -12.691 -24.649 -15.718 1.00 0.00 O ATOM 1179 CB PRO A 78 -14.876 -22.096 -16.384 1.00 0.00 C ATOM 1180 CG PRO A 78 -14.534 -20.736 -16.972 1.00 0.00 C ATOM 1181 CD PRO A 78 -13.359 -20.173 -16.190 1.00 0.00 C ATOM 0 HA PRO A 78 -14.038 -22.962 -14.590 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -15.033 -22.834 -17.171 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -15.797 -22.050 -15.802 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -14.280 -20.829 -18.028 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.391 -20.066 -16.908 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.528 -19.924 -16.849 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.635 -19.258 -15.665 1.00 0.00 H new ATOM 1189 N SER A 79 -12.095 -23.059 -17.212 1.00 0.00 N ATOM 1190 CA SER A 79 -11.178 -23.925 -17.935 1.00 0.00 C ATOM 1191 C SER A 79 -9.739 -23.447 -17.734 1.00 0.00 C ATOM 1192 O SER A 79 -9.317 -22.463 -18.341 1.00 0.00 O ATOM 1193 CB SER A 79 -11.520 -23.967 -19.425 1.00 0.00 C ATOM 1194 OG SER A 79 -12.573 -24.885 -19.706 1.00 0.00 O ATOM 0 H SER A 79 -12.164 -22.110 -17.579 1.00 0.00 H new ATOM 0 HA SER A 79 -11.277 -24.935 -17.539 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.809 -22.970 -19.759 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.633 -24.248 -19.993 1.00 0.00 H new ATOM 0 HG SER A 79 -12.763 -24.881 -20.667 1.00 0.00 H new ATOM 1200 N SER A 80 -9.024 -24.165 -16.880 1.00 0.00 N ATOM 1201 CA SER A 80 -7.641 -23.826 -16.591 1.00 0.00 C ATOM 1202 C SER A 80 -6.874 -23.601 -17.896 1.00 0.00 C ATOM 1203 O SER A 80 -7.070 -24.329 -18.868 1.00 0.00 O ATOM 1204 CB SER A 80 -6.968 -24.921 -15.761 1.00 0.00 C ATOM 1205 OG SER A 80 -5.576 -24.673 -15.580 1.00 0.00 O ATOM 0 H SER A 80 -9.377 -24.980 -16.379 1.00 0.00 H new ATOM 0 HA SER A 80 -7.629 -22.906 -16.007 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.454 -24.989 -14.788 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.104 -25.884 -16.253 1.00 0.00 H new ATOM 0 HG SER A 80 -5.182 -25.393 -15.044 1.00 0.00 H new ATOM 1211 N GLY A 81 -6.018 -22.591 -17.875 1.00 0.00 N ATOM 1212 CA GLY A 81 -5.221 -22.261 -19.044 1.00 0.00 C ATOM 1213 C GLY A 81 -5.638 -20.911 -19.630 1.00 0.00 C ATOM 1214 O GLY A 81 -6.061 -20.017 -18.898 1.00 0.00 O ATOM 0 H GLY A 81 -5.859 -21.990 -17.067 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.166 -22.233 -18.773 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.336 -23.040 -19.798 1.00 0.00 H new TER 1218 GLY A 81