USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=15 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+ 180:sc= 0 (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 : amide:sc= -0.123 X(o=-0.12,f=-0.1) USER MOD Single : A 23 CYS SG : rot 59:sc= -5.13! USER MOD Single : A 24 HIS : no HD1:sc= -0.653 K(o=-0.65,f=-1.6) USER MOD Single : A 25 GLN : amide:sc= -0.678 X(o=-0.68,f=-0.76) USER MOD Single : A 28 HIS : no HD1:sc=-0.00714 X(o=-0.0071,f=-0.014) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 33 GLN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 37 ASN : amide:sc= -0.0125 X(o=-0.013,f=-0.095) USER MOD Single : A 39 MET CE :methyl -177:sc=-0.00343 (180deg=-0.0229) USER MOD Single : A 41 HIS : no HD1:sc= -0.042 X(o=-0.042,f=-0.2) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 52 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.3!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -143:sc= -2.34 (180deg=-4.29!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.232 K(o=-0.23,f=-2.3!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 10.026 11.155 25.909 1.00 0.00 N ATOM 2 CA GLY A 1 10.042 11.431 24.482 1.00 0.00 C ATOM 3 C GLY A 1 8.690 11.103 23.845 1.00 0.00 C ATOM 4 O GLY A 1 7.699 11.785 24.098 1.00 0.00 O ATOM 0 H1 GLY A 1 10.954 11.386 26.318 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.293 11.734 26.366 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.819 10.148 26.065 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.282 12.481 24.314 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.826 10.844 24.003 1.00 0.00 H new ATOM 8 N SER A 2 8.695 10.058 23.030 1.00 0.00 N ATOM 9 CA SER A 2 7.481 9.631 22.355 1.00 0.00 C ATOM 10 C SER A 2 7.624 8.180 21.890 1.00 0.00 C ATOM 11 O SER A 2 8.331 7.901 20.924 1.00 0.00 O ATOM 12 CB SER A 2 7.164 10.540 21.166 1.00 0.00 C ATOM 13 OG SER A 2 6.183 9.969 20.304 1.00 0.00 O ATOM 0 H SER A 2 9.520 9.495 22.822 1.00 0.00 H new ATOM 0 HA SER A 2 6.654 9.700 23.062 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.809 11.504 21.531 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.077 10.730 20.601 1.00 0.00 H new ATOM 0 HG SER A 2 6.007 10.580 19.558 1.00 0.00 H new ATOM 19 N SER A 3 6.940 7.295 22.601 1.00 0.00 N ATOM 20 CA SER A 3 6.982 5.880 22.274 1.00 0.00 C ATOM 21 C SER A 3 6.159 5.610 21.013 1.00 0.00 C ATOM 22 O SER A 3 5.151 6.273 20.771 1.00 0.00 O ATOM 23 CB SER A 3 6.465 5.030 23.436 1.00 0.00 C ATOM 24 OG SER A 3 5.042 5.031 23.507 1.00 0.00 O ATOM 0 H SER A 3 6.354 7.531 23.402 1.00 0.00 H new ATOM 0 HA SER A 3 8.020 5.603 22.090 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.821 4.006 23.323 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.875 5.409 24.372 1.00 0.00 H new ATOM 0 HG SER A 3 4.752 4.476 24.261 1.00 0.00 H new ATOM 30 N GLY A 4 6.618 4.635 20.242 1.00 0.00 N ATOM 31 CA GLY A 4 5.937 4.269 19.012 1.00 0.00 C ATOM 32 C GLY A 4 4.633 3.526 19.307 1.00 0.00 C ATOM 33 O GLY A 4 4.626 2.551 20.057 1.00 0.00 O ATOM 0 H GLY A 4 7.454 4.087 20.446 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.725 5.165 18.429 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.588 3.640 18.405 1.00 0.00 H new ATOM 37 N SER A 5 3.560 4.014 18.702 1.00 0.00 N ATOM 38 CA SER A 5 2.253 3.408 18.891 1.00 0.00 C ATOM 39 C SER A 5 1.458 3.463 17.585 1.00 0.00 C ATOM 40 O SER A 5 1.867 4.123 16.632 1.00 0.00 O ATOM 41 CB SER A 5 1.481 4.104 20.013 1.00 0.00 C ATOM 42 OG SER A 5 0.922 3.171 20.935 1.00 0.00 O ATOM 0 H SER A 5 3.569 4.823 18.080 1.00 0.00 H new ATOM 0 HA SER A 5 2.396 2.366 19.178 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.147 4.784 20.544 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.684 4.710 19.583 1.00 0.00 H new ATOM 0 HG SER A 5 0.439 3.655 21.637 1.00 0.00 H new ATOM 48 N SER A 6 0.334 2.760 17.585 1.00 0.00 N ATOM 49 CA SER A 6 -0.523 2.721 16.412 1.00 0.00 C ATOM 50 C SER A 6 -1.565 3.838 16.488 1.00 0.00 C ATOM 51 O SER A 6 -2.412 3.842 17.380 1.00 0.00 O ATOM 52 CB SER A 6 -1.211 1.361 16.278 1.00 0.00 C ATOM 53 OG SER A 6 -0.906 0.728 15.038 1.00 0.00 O ATOM 0 H SER A 6 -0.002 2.214 18.378 1.00 0.00 H new ATOM 0 HA SER A 6 0.098 2.872 15.529 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.902 0.716 17.100 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.290 1.491 16.363 1.00 0.00 H new ATOM 0 HG SER A 6 -1.363 -0.138 14.992 1.00 0.00 H new ATOM 59 N GLY A 7 -1.470 4.758 15.540 1.00 0.00 N ATOM 60 CA GLY A 7 -2.394 5.878 15.488 1.00 0.00 C ATOM 61 C GLY A 7 -2.338 6.573 14.126 1.00 0.00 C ATOM 62 O GLY A 7 -3.132 6.269 13.237 1.00 0.00 O ATOM 0 H GLY A 7 -0.767 4.751 14.801 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.408 5.527 15.679 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.150 6.592 16.275 1.00 0.00 H new ATOM 66 N PRO A 8 -1.367 7.517 14.002 1.00 0.00 N ATOM 67 CA PRO A 8 -1.197 8.258 12.763 1.00 0.00 C ATOM 68 C PRO A 8 -0.537 7.388 11.691 1.00 0.00 C ATOM 69 O PRO A 8 0.535 7.723 11.189 1.00 0.00 O ATOM 70 CB PRO A 8 -0.363 9.471 13.141 1.00 0.00 C ATOM 71 CG PRO A 8 0.293 9.128 14.469 1.00 0.00 C ATOM 72 CD PRO A 8 -0.409 7.904 15.033 1.00 0.00 C ATOM 0 HA PRO A 8 -2.145 8.566 12.323 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.386 9.683 12.378 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.986 10.361 13.231 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.355 8.928 14.330 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.214 9.966 15.161 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.299 7.101 15.237 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.910 8.133 15.973 1.00 0.00 H new ATOM 80 N ASP A 9 -1.205 6.289 11.372 1.00 0.00 N ATOM 81 CA ASP A 9 -0.696 5.370 10.369 1.00 0.00 C ATOM 82 C ASP A 9 -1.871 4.682 9.670 1.00 0.00 C ATOM 83 O ASP A 9 -2.563 3.864 10.273 1.00 0.00 O ATOM 84 CB ASP A 9 0.175 4.285 11.006 1.00 0.00 C ATOM 85 CG ASP A 9 1.681 4.543 10.939 1.00 0.00 C ATOM 86 OD1 ASP A 9 2.195 4.613 9.801 1.00 0.00 O ATOM 87 OD2 ASP A 9 2.286 4.664 12.026 1.00 0.00 O ATOM 0 H ASP A 9 -2.094 6.015 11.790 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.098 5.943 9.661 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.114 4.176 12.051 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.038 3.335 10.516 1.00 0.00 H new ATOM 92 N ALA A 10 -2.061 5.041 8.409 1.00 0.00 N ATOM 93 CA ALA A 10 -3.140 4.469 7.623 1.00 0.00 C ATOM 94 C ALA A 10 -3.219 2.965 7.890 1.00 0.00 C ATOM 95 O ALA A 10 -2.382 2.201 7.412 1.00 0.00 O ATOM 96 CB ALA A 10 -2.918 4.787 6.143 1.00 0.00 C ATOM 0 H ALA A 10 -1.486 5.721 7.912 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.097 4.905 7.911 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.728 4.358 5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.900 5.868 6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.968 4.363 5.818 1.00 0.00 H new ATOM 102 N ASP A 11 -4.232 2.584 8.654 1.00 0.00 N ATOM 103 CA ASP A 11 -4.431 1.184 8.991 1.00 0.00 C ATOM 104 C ASP A 11 -4.143 0.322 7.760 1.00 0.00 C ATOM 105 O ASP A 11 -4.231 0.798 6.630 1.00 0.00 O ATOM 106 CB ASP A 11 -5.875 0.922 9.424 1.00 0.00 C ATOM 107 CG ASP A 11 -6.026 0.189 10.758 1.00 0.00 C ATOM 108 OD1 ASP A 11 -5.324 0.592 11.711 1.00 0.00 O ATOM 109 OD2 ASP A 11 -6.841 -0.759 10.796 1.00 0.00 O ATOM 0 H ASP A 11 -4.924 3.220 9.050 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.758 0.935 9.811 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.398 1.876 9.490 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.371 0.339 8.648 1.00 0.00 H new ATOM 114 N PRO A 12 -3.795 -0.965 8.029 1.00 0.00 N ATOM 115 CA PRO A 12 -3.493 -1.898 6.957 1.00 0.00 C ATOM 116 C PRO A 12 -4.771 -2.355 6.251 1.00 0.00 C ATOM 117 O PRO A 12 -4.945 -2.114 5.057 1.00 0.00 O ATOM 118 CB PRO A 12 -2.745 -3.039 7.627 1.00 0.00 C ATOM 119 CG PRO A 12 -3.060 -2.930 9.110 1.00 0.00 C ATOM 120 CD PRO A 12 -3.680 -1.564 9.356 1.00 0.00 C ATOM 0 HA PRO A 12 -2.887 -1.451 6.169 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.065 -4.002 7.230 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.673 -2.961 7.449 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.746 -3.721 9.414 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.153 -3.050 9.703 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.654 -1.652 9.837 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.055 -0.958 10.011 1.00 0.00 H new ATOM 128 N VAL A 13 -5.633 -3.005 7.019 1.00 0.00 N ATOM 129 CA VAL A 13 -6.890 -3.497 6.483 1.00 0.00 C ATOM 130 C VAL A 13 -7.475 -2.455 5.526 1.00 0.00 C ATOM 131 O VAL A 13 -7.786 -2.767 4.378 1.00 0.00 O ATOM 132 CB VAL A 13 -7.841 -3.860 7.625 1.00 0.00 C ATOM 133 CG1 VAL A 13 -7.969 -2.704 8.620 1.00 0.00 C ATOM 134 CG2 VAL A 13 -9.212 -4.274 7.087 1.00 0.00 C ATOM 0 H VAL A 13 -5.485 -3.202 8.009 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.729 -4.410 5.910 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.418 -4.713 8.155 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.651 -2.988 9.422 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.990 -2.475 9.040 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.358 -1.824 8.108 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.868 -4.527 7.920 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.645 -3.449 6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.101 -5.141 6.436 1.00 0.00 H new ATOM 144 N GLU A 14 -7.606 -1.239 6.036 1.00 0.00 N ATOM 145 CA GLU A 14 -8.148 -0.150 5.242 1.00 0.00 C ATOM 146 C GLU A 14 -7.450 -0.087 3.881 1.00 0.00 C ATOM 147 O GLU A 14 -8.103 -0.157 2.841 1.00 0.00 O ATOM 148 CB GLU A 14 -8.024 1.183 5.983 1.00 0.00 C ATOM 149 CG GLU A 14 -9.382 1.640 6.519 1.00 0.00 C ATOM 150 CD GLU A 14 -9.868 2.893 5.787 1.00 0.00 C ATOM 151 OE1 GLU A 14 -10.372 2.729 4.655 1.00 0.00 O ATOM 152 OE2 GLU A 14 -9.724 3.986 6.376 1.00 0.00 O ATOM 0 H GLU A 14 -7.346 -0.984 6.989 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.209 -0.340 5.077 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.319 1.080 6.808 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.620 1.941 5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.112 0.839 6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.305 1.845 7.587 1.00 0.00 H new ATOM 159 N ILE A 15 -6.133 0.044 3.933 1.00 0.00 N ATOM 160 CA ILE A 15 -5.340 0.117 2.717 1.00 0.00 C ATOM 161 C ILE A 15 -5.742 -1.025 1.782 1.00 0.00 C ATOM 162 O ILE A 15 -5.983 -0.806 0.596 1.00 0.00 O ATOM 163 CB ILE A 15 -3.847 0.142 3.052 1.00 0.00 C ATOM 164 CG1 ILE A 15 -3.490 1.381 3.876 1.00 0.00 C ATOM 165 CG2 ILE A 15 -2.999 0.033 1.783 1.00 0.00 C ATOM 166 CD1 ILE A 15 -2.176 1.176 4.633 1.00 0.00 C ATOM 0 H ILE A 15 -5.595 0.102 4.798 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.540 1.048 2.187 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.620 -0.729 3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.404 2.247 3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.292 1.595 4.583 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.942 0.053 2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.227 -0.903 1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.223 0.871 1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.945 2.071 5.211 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.273 0.325 5.307 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.372 0.986 3.922 1.00 0.00 H new ATOM 178 N GLU A 16 -5.801 -2.220 2.351 1.00 0.00 N ATOM 179 CA GLU A 16 -6.170 -3.398 1.583 1.00 0.00 C ATOM 180 C GLU A 16 -7.570 -3.228 0.991 1.00 0.00 C ATOM 181 O GLU A 16 -7.747 -3.296 -0.224 1.00 0.00 O ATOM 182 CB GLU A 16 -6.087 -4.661 2.443 1.00 0.00 C ATOM 183 CG GLU A 16 -4.708 -4.794 3.091 1.00 0.00 C ATOM 184 CD GLU A 16 -4.487 -6.211 3.624 1.00 0.00 C ATOM 185 OE1 GLU A 16 -5.106 -7.135 3.054 1.00 0.00 O ATOM 186 OE2 GLU A 16 -3.704 -6.338 4.590 1.00 0.00 O ATOM 0 H GLU A 16 -5.600 -2.398 3.335 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.461 -3.510 0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.855 -4.630 3.216 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.290 -5.538 1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.935 -4.551 2.362 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.614 -4.076 3.906 1.00 0.00 H new ATOM 193 N ASN A 17 -8.531 -3.011 1.878 1.00 0.00 N ATOM 194 CA ASN A 17 -9.910 -2.831 1.458 1.00 0.00 C ATOM 195 C ASN A 17 -9.948 -1.946 0.211 1.00 0.00 C ATOM 196 O ASN A 17 -10.732 -2.190 -0.705 1.00 0.00 O ATOM 197 CB ASN A 17 -10.733 -2.145 2.550 1.00 0.00 C ATOM 198 CG ASN A 17 -11.597 -3.158 3.304 1.00 0.00 C ATOM 199 OD1 ASN A 17 -12.365 -3.910 2.726 1.00 0.00 O ATOM 200 ND2 ASN A 17 -11.430 -3.136 4.623 1.00 0.00 N ATOM 0 H ASN A 17 -8.381 -2.956 2.885 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.331 -3.815 1.253 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.067 -1.639 3.249 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.369 -1.380 2.105 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.962 -3.774 5.215 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.770 -2.481 5.043 1.00 0.00 H new ATOM 207 N ARG A 18 -9.090 -0.936 0.215 1.00 0.00 N ATOM 208 CA ARG A 18 -9.016 -0.013 -0.905 1.00 0.00 C ATOM 209 C ARG A 18 -8.662 -0.765 -2.190 1.00 0.00 C ATOM 210 O ARG A 18 -9.386 -0.683 -3.181 1.00 0.00 O ATOM 211 CB ARG A 18 -7.969 1.074 -0.654 1.00 0.00 C ATOM 212 CG ARG A 18 -8.630 2.446 -0.499 1.00 0.00 C ATOM 213 CD ARG A 18 -9.351 2.855 -1.784 1.00 0.00 C ATOM 214 NE ARG A 18 -8.608 3.944 -2.457 1.00 0.00 N ATOM 215 CZ ARG A 18 -9.014 4.548 -3.582 1.00 0.00 C ATOM 216 NH1 ARG A 18 -10.160 4.172 -4.168 1.00 0.00 N ATOM 217 NH2 ARG A 18 -8.276 5.527 -4.122 1.00 0.00 N ATOM 0 H ARG A 18 -8.440 -0.737 0.976 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.993 0.457 -1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.401 0.836 0.245 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.260 1.099 -1.481 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.340 2.420 0.328 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.875 3.191 -0.248 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.438 1.997 -2.451 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.364 3.184 -1.553 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.731 4.254 -2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.722 3.427 -3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.470 4.631 -5.024 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.404 5.813 -3.677 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.586 5.986 -4.978 1.00 0.00 H new ATOM 231 N ILE A 19 -7.548 -1.480 -2.131 1.00 0.00 N ATOM 232 CA ILE A 19 -7.089 -2.246 -3.278 1.00 0.00 C ATOM 233 C ILE A 19 -8.250 -3.078 -3.827 1.00 0.00 C ATOM 234 O ILE A 19 -8.413 -3.198 -5.040 1.00 0.00 O ATOM 235 CB ILE A 19 -5.857 -3.075 -2.910 1.00 0.00 C ATOM 236 CG1 ILE A 19 -4.601 -2.202 -2.868 1.00 0.00 C ATOM 237 CG2 ILE A 19 -5.696 -4.267 -3.856 1.00 0.00 C ATOM 238 CD1 ILE A 19 -3.542 -2.810 -1.947 1.00 0.00 C ATOM 0 H ILE A 19 -6.950 -1.545 -1.307 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.768 -1.579 -4.078 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.003 -3.477 -1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.195 -2.094 -3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.860 -1.202 -2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.813 -4.840 -3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.578 -4.904 -3.792 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.582 -3.907 -4.879 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.660 -2.170 -1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.943 -2.894 -0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.268 -3.800 -2.312 1.00 0.00 H new ATOM 250 N ILE A 20 -9.025 -3.633 -2.907 1.00 0.00 N ATOM 251 CA ILE A 20 -10.166 -4.451 -3.284 1.00 0.00 C ATOM 252 C ILE A 20 -11.098 -3.636 -4.183 1.00 0.00 C ATOM 253 O ILE A 20 -11.323 -3.995 -5.337 1.00 0.00 O ATOM 254 CB ILE A 20 -10.852 -5.019 -2.040 1.00 0.00 C ATOM 255 CG1 ILE A 20 -9.834 -5.668 -1.100 1.00 0.00 C ATOM 256 CG2 ILE A 20 -11.973 -5.986 -2.426 1.00 0.00 C ATOM 257 CD1 ILE A 20 -8.876 -6.577 -1.872 1.00 0.00 C ATOM 0 H ILE A 20 -8.886 -3.533 -1.902 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.841 -5.315 -3.863 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.311 -4.193 -1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.268 -4.894 -0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.355 -6.247 -0.338 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.444 -6.376 -1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -12.716 -5.461 -3.026 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.558 -6.812 -3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.163 -7.025 -1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.443 -7.364 -2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.339 -5.990 -2.617 1.00 0.00 H new ATOM 269 N GLU A 21 -11.614 -2.554 -3.619 1.00 0.00 N ATOM 270 CA GLU A 21 -12.517 -1.685 -4.354 1.00 0.00 C ATOM 271 C GLU A 21 -11.943 -1.373 -5.738 1.00 0.00 C ATOM 272 O GLU A 21 -12.689 -1.231 -6.706 1.00 0.00 O ATOM 273 CB GLU A 21 -12.797 -0.399 -3.574 1.00 0.00 C ATOM 274 CG GLU A 21 -13.941 -0.600 -2.579 1.00 0.00 C ATOM 275 CD GLU A 21 -15.024 0.466 -2.764 1.00 0.00 C ATOM 276 OE1 GLU A 21 -15.901 0.240 -3.625 1.00 0.00 O ATOM 277 OE2 GLU A 21 -14.949 1.482 -2.040 1.00 0.00 O ATOM 0 H GLU A 21 -11.424 -2.259 -2.661 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.466 -2.206 -4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.898 -0.089 -3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.050 0.403 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.375 -1.591 -2.714 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.554 -0.557 -1.561 1.00 0.00 H new ATOM 284 N LEU A 22 -10.623 -1.275 -5.788 1.00 0.00 N ATOM 285 CA LEU A 22 -9.941 -0.982 -7.037 1.00 0.00 C ATOM 286 C LEU A 22 -9.954 -2.228 -7.924 1.00 0.00 C ATOM 287 O LEU A 22 -10.418 -2.179 -9.063 1.00 0.00 O ATOM 288 CB LEU A 22 -8.537 -0.436 -6.765 1.00 0.00 C ATOM 289 CG LEU A 22 -8.373 1.080 -6.883 1.00 0.00 C ATOM 290 CD1 LEU A 22 -7.693 1.656 -5.639 1.00 0.00 C ATOM 291 CD2 LEU A 22 -7.630 1.454 -8.167 1.00 0.00 C ATOM 0 H LEU A 22 -10.007 -1.393 -4.983 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.464 -0.196 -7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.240 -0.737 -5.760 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.843 -0.912 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.365 1.527 -6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.588 2.735 -5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.298 1.437 -4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.707 1.206 -5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.527 2.538 -8.225 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.641 0.996 -8.162 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.192 1.096 -9.030 1.00 0.00 H new ATOM 303 N CYS A 23 -9.441 -3.317 -7.370 1.00 0.00 N ATOM 304 CA CYS A 23 -9.388 -4.573 -8.098 1.00 0.00 C ATOM 305 C CYS A 23 -10.742 -4.792 -8.777 1.00 0.00 C ATOM 306 O CYS A 23 -10.812 -5.386 -9.852 1.00 0.00 O ATOM 307 CB CYS A 23 -9.014 -5.741 -7.183 1.00 0.00 C ATOM 308 SG CYS A 23 -7.376 -5.441 -6.423 1.00 0.00 S ATOM 0 H CYS A 23 -9.058 -3.355 -6.425 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.606 -4.525 -8.856 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.768 -5.861 -6.405 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.995 -6.669 -7.754 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.407 -4.329 -5.751 1.00 0.00 H new ATOM 314 N HIS A 24 -11.783 -4.300 -8.122 1.00 0.00 N ATOM 315 CA HIS A 24 -13.130 -4.434 -8.650 1.00 0.00 C ATOM 316 C HIS A 24 -13.325 -3.461 -9.814 1.00 0.00 C ATOM 317 O HIS A 24 -13.880 -3.827 -10.848 1.00 0.00 O ATOM 318 CB HIS A 24 -14.169 -4.249 -7.541 1.00 0.00 C ATOM 319 CG HIS A 24 -14.597 -5.536 -6.880 1.00 0.00 C ATOM 320 ND1 HIS A 24 -14.857 -6.695 -7.591 1.00 0.00 N ATOM 321 CD2 HIS A 24 -14.808 -5.836 -5.566 1.00 0.00 C ATOM 322 CE1 HIS A 24 -15.208 -7.642 -6.734 1.00 0.00 C ATOM 323 NE2 HIS A 24 -15.178 -7.108 -5.480 1.00 0.00 N ATOM 0 H HIS A 24 -11.721 -3.808 -7.231 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.274 -5.442 -9.038 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.761 -3.581 -6.782 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -15.048 -3.757 -7.959 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.693 -5.154 -4.736 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.472 -8.659 -6.985 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -15.403 -7.604 -4.618 1.00 0.00 H new ATOM 331 N GLN A 25 -12.857 -2.238 -9.605 1.00 0.00 N ATOM 332 CA GLN A 25 -12.973 -1.209 -10.624 1.00 0.00 C ATOM 333 C GLN A 25 -12.212 -1.623 -11.886 1.00 0.00 C ATOM 334 O GLN A 25 -12.556 -1.201 -12.989 1.00 0.00 O ATOM 335 CB GLN A 25 -12.473 0.139 -10.101 1.00 0.00 C ATOM 336 CG GLN A 25 -13.635 0.991 -9.585 1.00 0.00 C ATOM 337 CD GLN A 25 -14.704 1.172 -10.664 1.00 0.00 C ATOM 338 OE1 GLN A 25 -15.744 0.533 -10.658 1.00 0.00 O ATOM 339 NE2 GLN A 25 -14.392 2.075 -11.589 1.00 0.00 N ATOM 0 H GLN A 25 -12.397 -1.938 -8.745 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.027 -1.095 -10.879 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.752 -0.022 -9.300 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.952 0.671 -10.897 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.076 0.518 -8.707 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.264 1.966 -9.269 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.504 2.575 -11.535 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -15.040 2.268 -12.353 1.00 0.00 H new ATOM 348 N PHE A 26 -11.194 -2.445 -11.681 1.00 0.00 N ATOM 349 CA PHE A 26 -10.382 -2.921 -12.788 1.00 0.00 C ATOM 350 C PHE A 26 -10.428 -4.448 -12.886 1.00 0.00 C ATOM 351 O PHE A 26 -9.845 -5.144 -12.057 1.00 0.00 O ATOM 352 CB PHE A 26 -8.943 -2.484 -12.508 1.00 0.00 C ATOM 353 CG PHE A 26 -8.750 -0.966 -12.469 1.00 0.00 C ATOM 354 CD1 PHE A 26 -9.072 -0.269 -11.347 1.00 0.00 C ATOM 355 CD2 PHE A 26 -8.257 -0.315 -13.556 1.00 0.00 C ATOM 356 CE1 PHE A 26 -8.894 1.139 -11.310 1.00 0.00 C ATOM 357 CE2 PHE A 26 -8.079 1.093 -13.520 1.00 0.00 C ATOM 358 CZ PHE A 26 -8.401 1.791 -12.398 1.00 0.00 C ATOM 0 H PHE A 26 -10.913 -2.794 -10.765 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.757 -2.512 -13.726 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.625 -2.905 -11.554 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.291 -2.903 -13.274 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.463 -0.787 -10.484 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.001 -0.869 -14.447 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.150 1.693 -10.419 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.688 1.610 -14.384 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.266 2.862 -12.371 1.00 0.00 H new ATOM 368 N PRO A 27 -11.147 -4.935 -13.933 1.00 0.00 N ATOM 369 CA PRO A 27 -11.277 -6.366 -14.149 1.00 0.00 C ATOM 370 C PRO A 27 -9.984 -6.954 -14.718 1.00 0.00 C ATOM 371 O PRO A 27 -9.749 -8.157 -14.618 1.00 0.00 O ATOM 372 CB PRO A 27 -12.462 -6.515 -15.090 1.00 0.00 C ATOM 373 CG PRO A 27 -12.659 -5.151 -15.731 1.00 0.00 C ATOM 374 CD PRO A 27 -11.851 -4.140 -14.934 1.00 0.00 C ATOM 0 HA PRO A 27 -11.447 -6.918 -13.225 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.268 -7.277 -15.845 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.355 -6.824 -14.547 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.332 -5.167 -16.771 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.715 -4.879 -15.733 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.153 -3.599 -15.573 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.497 -3.397 -14.467 1.00 0.00 H new ATOM 382 N HIS A 28 -9.180 -6.078 -15.302 1.00 0.00 N ATOM 383 CA HIS A 28 -7.917 -6.496 -15.886 1.00 0.00 C ATOM 384 C HIS A 28 -6.831 -6.508 -14.808 1.00 0.00 C ATOM 385 O HIS A 28 -6.000 -7.414 -14.769 1.00 0.00 O ATOM 386 CB HIS A 28 -7.554 -5.615 -17.083 1.00 0.00 C ATOM 387 CG HIS A 28 -8.426 -5.837 -18.296 1.00 0.00 C ATOM 388 ND1 HIS A 28 -9.007 -4.798 -19.002 1.00 0.00 N ATOM 389 CD2 HIS A 28 -8.808 -6.988 -18.920 1.00 0.00 C ATOM 390 CE1 HIS A 28 -9.706 -5.312 -20.003 1.00 0.00 C ATOM 391 NE2 HIS A 28 -9.582 -6.669 -19.951 1.00 0.00 N ATOM 0 H HIS A 28 -9.379 -5.081 -15.383 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.009 -7.512 -16.271 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.623 -4.569 -16.785 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.515 -5.801 -17.356 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.529 -7.989 -18.626 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.274 -4.754 -20.732 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.013 -7.330 -20.597 1.00 0.00 H new ATOM 399 N GLY A 29 -6.874 -5.491 -13.960 1.00 0.00 N ATOM 400 CA GLY A 29 -5.904 -5.373 -12.884 1.00 0.00 C ATOM 401 C GLY A 29 -5.443 -3.923 -12.718 1.00 0.00 C ATOM 402 O GLY A 29 -5.869 -3.043 -13.465 1.00 0.00 O ATOM 0 H GLY A 29 -7.565 -4.741 -13.996 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.344 -5.727 -11.952 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.045 -6.010 -13.093 1.00 0.00 H new ATOM 406 N ILE A 30 -4.580 -3.719 -11.734 1.00 0.00 N ATOM 407 CA ILE A 30 -4.057 -2.392 -11.460 1.00 0.00 C ATOM 408 C ILE A 30 -2.535 -2.466 -11.320 1.00 0.00 C ATOM 409 O ILE A 30 -2.001 -3.462 -10.834 1.00 0.00 O ATOM 410 CB ILE A 30 -4.757 -1.780 -10.245 1.00 0.00 C ATOM 411 CG1 ILE A 30 -4.493 -2.608 -8.986 1.00 0.00 C ATOM 412 CG2 ILE A 30 -6.253 -1.598 -10.509 1.00 0.00 C ATOM 413 CD1 ILE A 30 -5.189 -1.994 -7.770 1.00 0.00 C ATOM 0 H ILE A 30 -4.230 -4.451 -11.116 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.268 -1.721 -12.292 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.338 -0.789 -10.072 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.848 -3.628 -9.136 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.420 -2.667 -8.804 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.727 -1.161 -9.630 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.394 -0.936 -11.364 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.705 -2.567 -10.722 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.985 -2.602 -6.889 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.814 -0.983 -7.608 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.264 -1.959 -7.946 1.00 0.00 H new ATOM 425 N THR A 31 -1.880 -1.400 -11.755 1.00 0.00 N ATOM 426 CA THR A 31 -0.430 -1.332 -11.684 1.00 0.00 C ATOM 427 C THR A 31 0.006 -0.458 -10.506 1.00 0.00 C ATOM 428 O THR A 31 -0.663 0.518 -10.172 1.00 0.00 O ATOM 429 CB THR A 31 0.087 -0.834 -13.035 1.00 0.00 C ATOM 430 OG1 THR A 31 -0.361 0.517 -13.101 1.00 0.00 O ATOM 431 CG2 THR A 31 -0.608 -1.515 -14.215 1.00 0.00 C ATOM 0 H THR A 31 -2.326 -0.576 -12.158 1.00 0.00 H new ATOM 0 HA THR A 31 0.003 -2.314 -11.497 1.00 0.00 H new ATOM 0 HB THR A 31 1.161 -1.006 -13.098 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.068 0.918 -13.946 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.204 -1.125 -15.149 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.437 -2.590 -14.166 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.679 -1.315 -14.171 1.00 0.00 H new ATOM 439 N ASP A 32 1.125 -0.840 -9.909 1.00 0.00 N ATOM 440 CA ASP A 32 1.659 -0.104 -8.776 1.00 0.00 C ATOM 441 C ASP A 32 1.488 1.397 -9.023 1.00 0.00 C ATOM 442 O ASP A 32 1.262 2.162 -8.087 1.00 0.00 O ATOM 443 CB ASP A 32 3.151 -0.385 -8.589 1.00 0.00 C ATOM 444 CG ASP A 32 3.909 0.662 -7.771 1.00 0.00 C ATOM 445 OD1 ASP A 32 3.789 0.607 -6.528 1.00 0.00 O ATOM 446 OD2 ASP A 32 4.591 1.494 -8.407 1.00 0.00 O ATOM 0 H ASP A 32 1.677 -1.651 -10.189 1.00 0.00 H new ATOM 0 HA ASP A 32 1.119 -0.420 -7.884 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.265 -1.355 -8.104 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.616 -0.463 -9.572 1.00 0.00 H new ATOM 451 N GLN A 33 1.604 1.773 -10.288 1.00 0.00 N ATOM 452 CA GLN A 33 1.465 3.168 -10.670 1.00 0.00 C ATOM 453 C GLN A 33 0.080 3.689 -10.284 1.00 0.00 C ATOM 454 O GLN A 33 -0.037 4.708 -9.605 1.00 0.00 O ATOM 455 CB GLN A 33 1.724 3.355 -12.167 1.00 0.00 C ATOM 456 CG GLN A 33 2.040 4.816 -12.490 1.00 0.00 C ATOM 457 CD GLN A 33 1.886 5.092 -13.987 1.00 0.00 C ATOM 458 OE1 GLN A 33 2.633 4.598 -14.815 1.00 0.00 O ATOM 459 NE2 GLN A 33 0.879 5.907 -14.286 1.00 0.00 N ATOM 0 H GLN A 33 1.793 1.136 -11.062 1.00 0.00 H new ATOM 0 HA GLN A 33 2.213 3.748 -10.130 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.555 2.722 -12.478 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.850 3.034 -12.734 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.374 5.469 -11.926 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.057 5.050 -12.176 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.292 6.286 -13.543 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.694 6.153 -15.258 1.00 0.00 H new ATOM 468 N VAL A 34 -0.936 2.966 -10.733 1.00 0.00 N ATOM 469 CA VAL A 34 -2.309 3.343 -10.443 1.00 0.00 C ATOM 470 C VAL A 34 -2.456 3.599 -8.942 1.00 0.00 C ATOM 471 O VAL A 34 -2.658 4.737 -8.520 1.00 0.00 O ATOM 472 CB VAL A 34 -3.267 2.269 -10.963 1.00 0.00 C ATOM 473 CG1 VAL A 34 -4.693 2.522 -10.470 1.00 0.00 C ATOM 474 CG2 VAL A 34 -3.221 2.186 -12.490 1.00 0.00 C ATOM 0 H VAL A 34 -0.836 2.121 -11.296 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.569 4.268 -10.958 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.941 1.308 -10.566 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.354 1.745 -10.854 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.709 2.507 -9.380 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.033 3.495 -10.824 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.911 1.415 -12.833 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.510 3.147 -12.915 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.210 1.936 -12.811 1.00 0.00 H new ATOM 484 N ILE A 35 -2.349 2.523 -8.176 1.00 0.00 N ATOM 485 CA ILE A 35 -2.468 2.617 -6.731 1.00 0.00 C ATOM 486 C ILE A 35 -1.678 3.831 -6.237 1.00 0.00 C ATOM 487 O ILE A 35 -2.008 4.413 -5.205 1.00 0.00 O ATOM 488 CB ILE A 35 -2.050 1.301 -6.072 1.00 0.00 C ATOM 489 CG1 ILE A 35 -2.883 0.133 -6.604 1.00 0.00 C ATOM 490 CG2 ILE A 35 -2.117 1.406 -4.547 1.00 0.00 C ATOM 491 CD1 ILE A 35 -1.999 -1.079 -6.903 1.00 0.00 C ATOM 0 H ILE A 35 -2.181 1.581 -8.529 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.508 2.774 -6.443 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.011 1.102 -6.335 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.644 -0.139 -5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.407 0.438 -7.510 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.815 0.457 -4.103 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.447 2.195 -4.207 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.137 1.640 -4.243 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.616 -1.895 -7.280 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.255 -0.810 -7.653 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.496 -1.396 -5.990 1.00 0.00 H new ATOM 503 N GLN A 36 -0.649 4.176 -6.997 1.00 0.00 N ATOM 504 CA GLN A 36 0.191 5.310 -6.649 1.00 0.00 C ATOM 505 C GLN A 36 -0.601 6.613 -6.767 1.00 0.00 C ATOM 506 O GLN A 36 -0.608 7.426 -5.844 1.00 0.00 O ATOM 507 CB GLN A 36 1.447 5.350 -7.522 1.00 0.00 C ATOM 508 CG GLN A 36 2.670 5.768 -6.704 1.00 0.00 C ATOM 509 CD GLN A 36 3.957 5.590 -7.512 1.00 0.00 C ATOM 510 OE1 GLN A 36 3.942 5.273 -8.690 1.00 0.00 O ATOM 511 NE2 GLN A 36 5.068 5.812 -6.816 1.00 0.00 N ATOM 0 H GLN A 36 -0.378 3.691 -7.852 1.00 0.00 H new ATOM 0 HA GLN A 36 0.512 5.196 -5.614 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.619 4.368 -7.964 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.300 6.049 -8.346 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.569 6.810 -6.399 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.723 5.172 -5.793 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.010 6.075 -5.832 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.979 5.720 -7.266 1.00 0.00 H new ATOM 520 N ASN A 37 -1.250 6.772 -7.912 1.00 0.00 N ATOM 521 CA ASN A 37 -2.044 7.963 -8.162 1.00 0.00 C ATOM 522 C ASN A 37 -3.326 7.901 -7.330 1.00 0.00 C ATOM 523 O ASN A 37 -3.976 8.922 -7.108 1.00 0.00 O ATOM 524 CB ASN A 37 -2.441 8.060 -9.637 1.00 0.00 C ATOM 525 CG ASN A 37 -1.946 9.370 -10.253 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.090 10.444 -9.692 1.00 0.00 O ATOM 527 ND2 ASN A 37 -1.357 9.222 -11.437 1.00 0.00 N ATOM 0 H ASN A 37 -1.242 6.096 -8.676 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.443 8.832 -7.892 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.024 7.216 -10.186 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.525 7.997 -9.730 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.993 10.037 -11.931 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.269 8.294 -11.850 1.00 0.00 H new ATOM 534 N GLU A 38 -3.651 6.694 -6.892 1.00 0.00 N ATOM 535 CA GLU A 38 -4.844 6.485 -6.089 1.00 0.00 C ATOM 536 C GLU A 38 -4.538 6.731 -4.610 1.00 0.00 C ATOM 537 O GLU A 38 -5.325 7.363 -3.907 1.00 0.00 O ATOM 538 CB GLU A 38 -5.412 5.081 -6.306 1.00 0.00 C ATOM 539 CG GLU A 38 -5.796 4.865 -7.771 1.00 0.00 C ATOM 540 CD GLU A 38 -6.988 5.742 -8.161 1.00 0.00 C ATOM 541 OE1 GLU A 38 -7.956 5.768 -7.370 1.00 0.00 O ATOM 542 OE2 GLU A 38 -6.903 6.367 -9.240 1.00 0.00 O ATOM 0 H GLU A 38 -3.109 5.850 -7.078 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.602 7.201 -6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.675 4.336 -6.006 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.287 4.937 -5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.945 5.096 -8.412 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.043 3.816 -7.935 1.00 0.00 H new ATOM 549 N MET A 39 -3.394 6.219 -4.183 1.00 0.00 N ATOM 550 CA MET A 39 -2.974 6.375 -2.800 1.00 0.00 C ATOM 551 C MET A 39 -1.469 6.633 -2.710 1.00 0.00 C ATOM 552 O MET A 39 -0.720 5.791 -2.217 1.00 0.00 O ATOM 553 CB MET A 39 -3.324 5.110 -2.014 1.00 0.00 C ATOM 554 CG MET A 39 -4.813 4.782 -2.138 1.00 0.00 C ATOM 555 SD MET A 39 -5.342 3.807 -0.739 1.00 0.00 S ATOM 556 CE MET A 39 -4.597 2.239 -1.154 1.00 0.00 C ATOM 0 H MET A 39 -2.744 5.696 -4.770 1.00 0.00 H new ATOM 0 HA MET A 39 -3.496 7.233 -2.376 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.732 4.273 -2.383 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.064 5.246 -0.964 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.394 5.703 -2.190 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.998 4.236 -3.063 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.874 1.495 -0.407 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.949 1.917 -2.134 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.512 2.346 -1.175 1.00 0.00 H new ATOM 566 N PRO A 40 -1.060 7.831 -3.207 1.00 0.00 N ATOM 567 CA PRO A 40 0.343 8.210 -3.187 1.00 0.00 C ATOM 568 C PRO A 40 0.784 8.605 -1.776 1.00 0.00 C ATOM 569 O PRO A 40 1.949 8.932 -1.555 1.00 0.00 O ATOM 570 CB PRO A 40 0.456 9.350 -4.186 1.00 0.00 C ATOM 571 CG PRO A 40 -0.957 9.874 -4.382 1.00 0.00 C ATOM 572 CD PRO A 40 -1.919 8.853 -3.798 1.00 0.00 C ATOM 0 HA PRO A 40 1.005 7.389 -3.463 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.115 10.134 -3.812 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.878 9.003 -5.129 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.078 10.838 -3.888 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.163 10.030 -5.441 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.570 9.305 -3.049 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.564 8.431 -4.568 1.00 0.00 H new ATOM 580 N HIS A 41 -0.171 8.562 -0.858 1.00 0.00 N ATOM 581 CA HIS A 41 0.104 8.912 0.525 1.00 0.00 C ATOM 582 C HIS A 41 0.546 7.664 1.292 1.00 0.00 C ATOM 583 O HIS A 41 1.037 7.762 2.415 1.00 0.00 O ATOM 584 CB HIS A 41 -1.103 9.603 1.162 1.00 0.00 C ATOM 585 CG HIS A 41 -2.349 8.751 1.199 1.00 0.00 C ATOM 586 ND1 HIS A 41 -3.313 8.787 0.207 1.00 0.00 N ATOM 587 CD2 HIS A 41 -2.777 7.838 2.118 1.00 0.00 C ATOM 588 CE1 HIS A 41 -4.274 7.933 0.525 1.00 0.00 C ATOM 589 NE2 HIS A 41 -3.941 7.346 1.711 1.00 0.00 N ATOM 0 H HIS A 41 -1.136 8.290 -1.045 1.00 0.00 H new ATOM 0 HA HIS A 41 0.923 9.630 0.566 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -0.846 9.897 2.180 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -1.317 10.519 0.611 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -2.257 7.562 3.023 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -5.165 7.736 -0.053 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.495 6.645 2.203 1.00 0.00 H new ATOM 597 N ILE A 42 0.354 6.518 0.654 1.00 0.00 N ATOM 598 CA ILE A 42 0.726 5.252 1.262 1.00 0.00 C ATOM 599 C ILE A 42 2.244 5.078 1.179 1.00 0.00 C ATOM 600 O ILE A 42 2.870 5.513 0.214 1.00 0.00 O ATOM 601 CB ILE A 42 -0.060 4.102 0.630 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.567 4.324 0.774 1.00 0.00 C ATOM 603 CG2 ILE A 42 0.378 2.755 1.207 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.050 3.921 2.168 1.00 0.00 C ATOM 0 H ILE A 42 -0.054 6.440 -0.278 1.00 0.00 H new ATOM 0 HA ILE A 42 0.461 5.245 2.319 1.00 0.00 H new ATOM 0 HB ILE A 42 0.163 4.082 -0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.803 5.373 0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.097 3.743 0.019 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.197 1.955 0.740 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.439 2.602 1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.204 2.746 2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.124 4.089 2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.835 2.866 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.535 4.521 2.919 1.00 0.00 H new ATOM 616 N GLU A 43 2.791 4.440 2.203 1.00 0.00 N ATOM 617 CA GLU A 43 4.224 4.203 2.258 1.00 0.00 C ATOM 618 C GLU A 43 4.616 3.095 1.278 1.00 0.00 C ATOM 619 O GLU A 43 3.758 2.364 0.786 1.00 0.00 O ATOM 620 CB GLU A 43 4.669 3.860 3.681 1.00 0.00 C ATOM 621 CG GLU A 43 4.671 5.105 4.570 1.00 0.00 C ATOM 622 CD GLU A 43 5.741 4.999 5.659 1.00 0.00 C ATOM 623 OE1 GLU A 43 6.877 5.440 5.383 1.00 0.00 O ATOM 624 OE2 GLU A 43 5.398 4.480 6.743 1.00 0.00 O ATOM 0 H GLU A 43 2.268 4.080 3.001 1.00 0.00 H new ATOM 0 HA GLU A 43 4.736 5.119 1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.002 3.108 4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.667 3.423 3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.853 5.991 3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.690 5.230 5.029 1.00 0.00 H new ATOM 631 N ALA A 44 5.914 3.006 1.025 1.00 0.00 N ATOM 632 CA ALA A 44 6.430 1.999 0.113 1.00 0.00 C ATOM 633 C ALA A 44 6.141 0.608 0.679 1.00 0.00 C ATOM 634 O ALA A 44 5.754 -0.298 -0.058 1.00 0.00 O ATOM 635 CB ALA A 44 7.924 2.236 -0.116 1.00 0.00 C ATOM 0 H ALA A 44 6.623 3.614 1.435 1.00 0.00 H new ATOM 0 HA ALA A 44 5.936 2.070 -0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.312 1.481 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.074 3.226 -0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.453 2.170 0.835 1.00 0.00 H new ATOM 641 N GLN A 45 6.339 0.481 1.983 1.00 0.00 N ATOM 642 CA GLN A 45 6.104 -0.785 2.656 1.00 0.00 C ATOM 643 C GLN A 45 4.603 -1.015 2.846 1.00 0.00 C ATOM 644 O GLN A 45 4.123 -2.140 2.719 1.00 0.00 O ATOM 645 CB GLN A 45 6.841 -0.839 3.996 1.00 0.00 C ATOM 646 CG GLN A 45 8.175 -1.574 3.859 1.00 0.00 C ATOM 647 CD GLN A 45 9.156 -1.138 4.949 1.00 0.00 C ATOM 648 OE1 GLN A 45 9.874 -0.160 4.819 1.00 0.00 O ATOM 649 NE2 GLN A 45 9.147 -1.915 6.028 1.00 0.00 N ATOM 0 H GLN A 45 6.660 1.234 2.591 1.00 0.00 H new ATOM 0 HA GLN A 45 6.498 -1.585 2.030 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.015 0.173 4.360 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.219 -1.342 4.737 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.010 -2.650 3.923 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.605 -1.375 2.877 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.521 -2.719 6.072 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.766 -1.707 6.811 1.00 0.00 H new ATOM 658 N GLN A 46 3.904 0.070 3.146 1.00 0.00 N ATOM 659 CA GLN A 46 2.468 0.001 3.355 1.00 0.00 C ATOM 660 C GLN A 46 1.767 -0.456 2.074 1.00 0.00 C ATOM 661 O GLN A 46 0.898 -1.326 2.114 1.00 0.00 O ATOM 662 CB GLN A 46 1.918 1.347 3.831 1.00 0.00 C ATOM 663 CG GLN A 46 2.412 1.673 5.242 1.00 0.00 C ATOM 664 CD GLN A 46 1.694 0.817 6.287 1.00 0.00 C ATOM 665 OE1 GLN A 46 2.211 -0.174 6.776 1.00 0.00 O ATOM 666 NE2 GLN A 46 0.477 1.253 6.599 1.00 0.00 N ATOM 0 H GLN A 46 4.306 1.002 3.249 1.00 0.00 H new ATOM 0 HA GLN A 46 2.269 -0.732 4.136 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.227 2.134 3.143 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.828 1.323 3.820 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.487 1.502 5.303 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.245 2.729 5.455 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.105 2.091 6.151 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.084 0.750 7.286 1.00 0.00 H new ATOM 675 N ARG A 47 2.171 0.152 0.968 1.00 0.00 N ATOM 676 CA ARG A 47 1.592 -0.182 -0.323 1.00 0.00 C ATOM 677 C ARG A 47 1.811 -1.663 -0.636 1.00 0.00 C ATOM 678 O ARG A 47 0.885 -2.356 -1.056 1.00 0.00 O ATOM 679 CB ARG A 47 2.209 0.665 -1.438 1.00 0.00 C ATOM 680 CG ARG A 47 1.222 1.725 -1.932 1.00 0.00 C ATOM 681 CD ARG A 47 1.452 2.042 -3.411 1.00 0.00 C ATOM 682 NE ARG A 47 2.277 3.263 -3.544 1.00 0.00 N ATOM 683 CZ ARG A 47 3.616 3.274 -3.500 1.00 0.00 C ATOM 684 NH1 ARG A 47 4.290 2.130 -3.326 1.00 0.00 N ATOM 685 NH2 ARG A 47 4.281 4.430 -3.630 1.00 0.00 N ATOM 0 H ARG A 47 2.892 0.873 0.939 1.00 0.00 H new ATOM 0 HA ARG A 47 0.524 0.027 -0.272 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.115 1.149 -1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.503 0.022 -2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.201 1.372 -1.787 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.332 2.634 -1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.948 1.203 -3.898 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.495 2.183 -3.914 1.00 0.00 H new ATOM 0 HE ARG A 47 1.796 4.152 -3.678 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.784 1.250 -3.227 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.309 2.139 -3.293 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.768 5.301 -3.762 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.300 4.438 -3.596 1.00 0.00 H new ATOM 699 N ALA A 48 3.041 -2.106 -0.419 1.00 0.00 N ATOM 700 CA ALA A 48 3.393 -3.492 -0.673 1.00 0.00 C ATOM 701 C ALA A 48 2.678 -4.389 0.339 1.00 0.00 C ATOM 702 O ALA A 48 2.025 -5.361 -0.039 1.00 0.00 O ATOM 703 CB ALA A 48 4.914 -3.651 -0.620 1.00 0.00 C ATOM 0 H ALA A 48 3.806 -1.529 -0.070 1.00 0.00 H new ATOM 0 HA ALA A 48 3.068 -3.794 -1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.178 -4.691 -0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.373 -3.016 -1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.276 -3.360 0.366 1.00 0.00 H new ATOM 709 N VAL A 49 2.824 -4.031 1.607 1.00 0.00 N ATOM 710 CA VAL A 49 2.200 -4.792 2.676 1.00 0.00 C ATOM 711 C VAL A 49 0.775 -5.167 2.265 1.00 0.00 C ATOM 712 O VAL A 49 0.467 -6.343 2.083 1.00 0.00 O ATOM 713 CB VAL A 49 2.256 -3.999 3.983 1.00 0.00 C ATOM 714 CG1 VAL A 49 1.130 -4.421 4.929 1.00 0.00 C ATOM 715 CG2 VAL A 49 3.622 -4.147 4.656 1.00 0.00 C ATOM 0 H VAL A 49 3.365 -3.224 1.918 1.00 0.00 H new ATOM 0 HA VAL A 49 2.743 -5.721 2.851 1.00 0.00 H new ATOM 0 HB VAL A 49 2.114 -2.946 3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.193 -3.842 5.850 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.167 -4.240 4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.227 -5.482 5.160 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.635 -3.574 5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.807 -5.198 4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.399 -3.775 3.988 1.00 0.00 H new ATOM 725 N ALA A 50 -0.056 -4.144 2.129 1.00 0.00 N ATOM 726 CA ALA A 50 -1.442 -4.351 1.743 1.00 0.00 C ATOM 727 C ALA A 50 -1.498 -5.334 0.572 1.00 0.00 C ATOM 728 O ALA A 50 -2.268 -6.293 0.598 1.00 0.00 O ATOM 729 CB ALA A 50 -2.085 -3.005 1.405 1.00 0.00 C ATOM 0 H ALA A 50 0.204 -3.169 2.279 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.009 -4.785 2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.124 -3.161 1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.045 -2.353 2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.544 -2.540 0.580 1.00 0.00 H new ATOM 735 N ILE A 51 -0.672 -5.062 -0.428 1.00 0.00 N ATOM 736 CA ILE A 51 -0.618 -5.911 -1.606 1.00 0.00 C ATOM 737 C ILE A 51 -0.298 -7.345 -1.182 1.00 0.00 C ATOM 738 O ILE A 51 -1.109 -8.250 -1.377 1.00 0.00 O ATOM 739 CB ILE A 51 0.361 -5.340 -2.633 1.00 0.00 C ATOM 740 CG1 ILE A 51 -0.208 -4.083 -3.294 1.00 0.00 C ATOM 741 CG2 ILE A 51 0.756 -6.400 -3.663 1.00 0.00 C ATOM 742 CD1 ILE A 51 0.914 -3.153 -3.761 1.00 0.00 C ATOM 0 H ILE A 51 -0.035 -4.266 -0.447 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.588 -5.935 -2.103 1.00 0.00 H new ATOM 0 HB ILE A 51 1.270 -5.045 -2.110 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.829 -4.364 -4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.852 -3.557 -2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.453 -5.968 -4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.232 -7.240 -3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.134 -6.749 -4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.482 -2.267 -4.227 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.519 -2.854 -2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.541 -3.674 -4.484 1.00 0.00 H new ATOM 754 N ASN A 52 0.886 -7.509 -0.610 1.00 0.00 N ATOM 755 CA ASN A 52 1.323 -8.819 -0.157 1.00 0.00 C ATOM 756 C ASN A 52 0.181 -9.499 0.601 1.00 0.00 C ATOM 757 O ASN A 52 -0.180 -10.635 0.298 1.00 0.00 O ATOM 758 CB ASN A 52 2.517 -8.702 0.792 1.00 0.00 C ATOM 759 CG ASN A 52 3.579 -9.756 0.469 1.00 0.00 C ATOM 760 OD1 ASN A 52 3.322 -10.753 -0.185 1.00 0.00 O ATOM 761 ND2 ASN A 52 4.782 -9.480 0.963 1.00 0.00 N ATOM 0 H ASN A 52 1.556 -6.757 -0.450 1.00 0.00 H new ATOM 0 HA ASN A 52 1.613 -9.400 -1.033 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.952 -7.706 0.713 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.181 -8.823 1.822 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.559 -10.122 0.803 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.928 -8.627 1.502 1.00 0.00 H new ATOM 768 N ARG A 53 -0.355 -8.775 1.572 1.00 0.00 N ATOM 769 CA ARG A 53 -1.449 -9.294 2.376 1.00 0.00 C ATOM 770 C ARG A 53 -2.549 -9.857 1.475 1.00 0.00 C ATOM 771 O ARG A 53 -2.896 -11.033 1.573 1.00 0.00 O ATOM 772 CB ARG A 53 -2.040 -8.203 3.272 1.00 0.00 C ATOM 773 CG ARG A 53 -1.848 -8.544 4.751 1.00 0.00 C ATOM 774 CD ARG A 53 -0.709 -7.724 5.359 1.00 0.00 C ATOM 775 NE ARG A 53 0.229 -8.616 6.077 1.00 0.00 N ATOM 776 CZ ARG A 53 1.173 -9.354 5.476 1.00 0.00 C ATOM 777 NH1 ARG A 53 1.309 -9.311 4.144 1.00 0.00 N ATOM 778 NH2 ARG A 53 1.980 -10.134 6.208 1.00 0.00 N ATOM 0 H ARG A 53 -0.052 -7.833 1.821 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.050 -10.088 3.006 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.564 -7.248 3.051 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.102 -8.087 3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.772 -8.349 5.296 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.633 -9.607 4.858 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.180 -7.183 4.574 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.112 -6.979 6.045 1.00 0.00 H new ATOM 0 HE ARG A 53 0.152 -8.673 7.093 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.694 -8.717 3.588 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.027 -9.872 3.686 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.876 -10.166 7.222 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.698 -10.696 5.751 1.00 0.00 H new ATOM 792 N LEU A 54 -3.069 -8.990 0.618 1.00 0.00 N ATOM 793 CA LEU A 54 -4.123 -9.386 -0.300 1.00 0.00 C ATOM 794 C LEU A 54 -3.663 -10.603 -1.105 1.00 0.00 C ATOM 795 O LEU A 54 -4.385 -11.594 -1.206 1.00 0.00 O ATOM 796 CB LEU A 54 -4.551 -8.201 -1.169 1.00 0.00 C ATOM 797 CG LEU A 54 -5.092 -6.982 -0.420 1.00 0.00 C ATOM 798 CD1 LEU A 54 -5.138 -5.754 -1.332 1.00 0.00 C ATOM 799 CD2 LEU A 54 -6.456 -7.283 0.204 1.00 0.00 C ATOM 0 H LEU A 54 -2.780 -8.015 0.540 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.014 -9.686 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.695 -7.886 -1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.316 -8.544 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.408 -6.752 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.526 -4.901 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.133 -5.527 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.787 -5.957 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.818 -6.400 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.163 -7.553 -0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.360 -8.111 0.907 1.00 0.00 H new ATOM 811 N LEU A 55 -2.463 -10.489 -1.656 1.00 0.00 N ATOM 812 CA LEU A 55 -1.898 -11.568 -2.448 1.00 0.00 C ATOM 813 C LEU A 55 -2.064 -12.889 -1.694 1.00 0.00 C ATOM 814 O LEU A 55 -2.548 -13.871 -2.255 1.00 0.00 O ATOM 815 CB LEU A 55 -0.449 -11.254 -2.826 1.00 0.00 C ATOM 816 CG LEU A 55 -0.246 -10.074 -3.779 1.00 0.00 C ATOM 817 CD1 LEU A 55 1.243 -9.798 -3.998 1.00 0.00 C ATOM 818 CD2 LEU A 55 -0.988 -10.300 -5.097 1.00 0.00 C ATOM 0 H LEU A 55 -1.867 -9.666 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.434 -11.669 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.110 -11.057 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.012 -12.143 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.674 -9.184 -3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.360 -8.955 -4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.713 -9.562 -3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.717 -10.680 -4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.827 -9.447 -5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.612 -11.204 -5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.054 -10.410 -4.900 1.00 0.00 H new ATOM 830 N SER A 56 -1.653 -12.871 -0.435 1.00 0.00 N ATOM 831 CA SER A 56 -1.751 -14.056 0.401 1.00 0.00 C ATOM 832 C SER A 56 -3.213 -14.325 0.759 1.00 0.00 C ATOM 833 O SER A 56 -3.751 -15.382 0.435 1.00 0.00 O ATOM 834 CB SER A 56 -0.912 -13.903 1.672 1.00 0.00 C ATOM 835 OG SER A 56 -0.603 -15.163 2.262 1.00 0.00 O ATOM 0 H SER A 56 -1.251 -12.055 0.027 1.00 0.00 H new ATOM 0 HA SER A 56 -1.360 -14.904 -0.161 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.013 -13.377 1.435 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.453 -13.288 2.392 1.00 0.00 H new ATOM 0 HG SER A 56 -0.065 -15.023 3.069 1.00 0.00 H new ATOM 841 N MET A 57 -3.816 -13.349 1.423 1.00 0.00 N ATOM 842 CA MET A 57 -5.206 -13.468 1.829 1.00 0.00 C ATOM 843 C MET A 57 -6.031 -14.185 0.758 1.00 0.00 C ATOM 844 O MET A 57 -6.973 -14.908 1.076 1.00 0.00 O ATOM 845 CB MET A 57 -5.788 -12.073 2.073 1.00 0.00 C ATOM 846 CG MET A 57 -5.133 -11.411 3.286 1.00 0.00 C ATOM 847 SD MET A 57 -6.385 -10.887 4.445 1.00 0.00 S ATOM 848 CE MET A 57 -5.933 -9.170 4.634 1.00 0.00 C ATOM 0 H MET A 57 -3.367 -12.473 1.690 1.00 0.00 H new ATOM 0 HA MET A 57 -5.248 -14.055 2.747 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.637 -11.452 1.190 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.864 -12.146 2.231 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.450 -12.110 3.768 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.540 -10.554 2.967 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.089 -8.864 5.669 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.883 -9.039 4.372 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.550 -8.557 3.977 1.00 0.00 H new ATOM 858 N GLY A 58 -5.646 -13.959 -0.489 1.00 0.00 N ATOM 859 CA GLY A 58 -6.338 -14.575 -1.609 1.00 0.00 C ATOM 860 C GLY A 58 -7.457 -13.670 -2.126 1.00 0.00 C ATOM 861 O GLY A 58 -8.378 -14.136 -2.796 1.00 0.00 O ATOM 0 H GLY A 58 -4.864 -13.358 -0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.629 -14.778 -2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.754 -15.534 -1.301 1.00 0.00 H new ATOM 865 N GLN A 59 -7.343 -12.392 -1.795 1.00 0.00 N ATOM 866 CA GLN A 59 -8.334 -11.417 -2.218 1.00 0.00 C ATOM 867 C GLN A 59 -7.840 -10.658 -3.450 1.00 0.00 C ATOM 868 O GLN A 59 -8.627 -10.023 -4.150 1.00 0.00 O ATOM 869 CB GLN A 59 -8.675 -10.454 -1.080 1.00 0.00 C ATOM 870 CG GLN A 59 -9.127 -11.216 0.168 1.00 0.00 C ATOM 871 CD GLN A 59 -10.552 -10.824 0.563 1.00 0.00 C ATOM 872 OE1 GLN A 59 -11.527 -11.227 -0.051 1.00 0.00 O ATOM 873 NE2 GLN A 59 -10.619 -10.020 1.620 1.00 0.00 N ATOM 0 H GLN A 59 -6.579 -12.009 -1.238 1.00 0.00 H new ATOM 0 HA GLN A 59 -9.247 -11.948 -2.486 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.804 -9.844 -0.842 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.463 -9.773 -1.400 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.080 -12.289 -0.019 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.446 -11.006 0.993 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.764 -9.720 2.088 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.526 -9.703 1.963 1.00 0.00 H new ATOM 882 N LEU A 60 -6.538 -10.748 -3.679 1.00 0.00 N ATOM 883 CA LEU A 60 -5.929 -10.077 -4.815 1.00 0.00 C ATOM 884 C LEU A 60 -5.197 -11.106 -5.677 1.00 0.00 C ATOM 885 O LEU A 60 -4.659 -12.085 -5.161 1.00 0.00 O ATOM 886 CB LEU A 60 -5.038 -8.925 -4.343 1.00 0.00 C ATOM 887 CG LEU A 60 -4.224 -8.219 -5.428 1.00 0.00 C ATOM 888 CD1 LEU A 60 -5.136 -7.670 -6.527 1.00 0.00 C ATOM 889 CD2 LEU A 60 -3.334 -7.130 -4.825 1.00 0.00 C ATOM 0 H LEU A 60 -5.888 -11.276 -3.097 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.694 -9.621 -5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.667 -8.184 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.348 -9.310 -3.592 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.565 -8.953 -5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.532 -7.173 -7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.690 -8.490 -6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.837 -6.955 -6.095 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.766 -6.644 -5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.955 -6.391 -4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.646 -7.578 -4.108 1.00 0.00 H new ATOM 901 N ASP A 61 -5.200 -10.851 -6.978 1.00 0.00 N ATOM 902 CA ASP A 61 -4.543 -11.744 -7.917 1.00 0.00 C ATOM 903 C ASP A 61 -3.423 -10.987 -8.634 1.00 0.00 C ATOM 904 O ASP A 61 -3.671 -9.972 -9.283 1.00 0.00 O ATOM 905 CB ASP A 61 -5.525 -12.249 -8.975 1.00 0.00 C ATOM 906 CG ASP A 61 -5.733 -13.765 -8.994 1.00 0.00 C ATOM 907 OD1 ASP A 61 -4.935 -14.455 -8.323 1.00 0.00 O ATOM 908 OD2 ASP A 61 -6.684 -14.200 -9.678 1.00 0.00 O ATOM 0 H ASP A 61 -5.647 -10.039 -7.403 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.148 -12.592 -7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.489 -11.767 -8.813 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.172 -11.934 -9.957 1.00 0.00 H new ATOM 913 N LEU A 62 -2.214 -11.511 -8.494 1.00 0.00 N ATOM 914 CA LEU A 62 -1.055 -10.898 -9.120 1.00 0.00 C ATOM 915 C LEU A 62 -0.886 -11.462 -10.532 1.00 0.00 C ATOM 916 O LEU A 62 -0.942 -12.675 -10.731 1.00 0.00 O ATOM 917 CB LEU A 62 0.183 -11.068 -8.238 1.00 0.00 C ATOM 918 CG LEU A 62 1.096 -9.845 -8.121 1.00 0.00 C ATOM 919 CD1 LEU A 62 2.338 -10.166 -7.286 1.00 0.00 C ATOM 920 CD2 LEU A 62 1.459 -9.298 -9.502 1.00 0.00 C ATOM 0 H LEU A 62 -2.012 -12.354 -7.956 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.201 -9.822 -9.221 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.144 -11.350 -7.237 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.771 -11.900 -8.627 1.00 0.00 H new ATOM 0 HG LEU A 62 0.550 -9.060 -7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.970 -9.280 -7.218 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.034 -10.472 -6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.896 -10.974 -7.759 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.108 -8.430 -9.390 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.978 -10.068 -10.073 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.550 -9.006 -10.028 1.00 0.00 H new ATOM 932 N LEU A 63 -0.683 -10.555 -11.477 1.00 0.00 N ATOM 933 CA LEU A 63 -0.506 -10.947 -12.865 1.00 0.00 C ATOM 934 C LEU A 63 0.766 -10.299 -13.414 1.00 0.00 C ATOM 935 O LEU A 63 0.790 -9.099 -13.682 1.00 0.00 O ATOM 936 CB LEU A 63 -1.761 -10.624 -13.677 1.00 0.00 C ATOM 937 CG LEU A 63 -2.434 -11.810 -14.372 1.00 0.00 C ATOM 938 CD1 LEU A 63 -3.952 -11.627 -14.421 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.839 -12.039 -15.763 1.00 0.00 C ATOM 0 H LEU A 63 -0.637 -9.550 -11.308 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.374 -12.026 -12.943 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.489 -10.157 -13.014 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.499 -9.885 -14.434 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.237 -12.707 -13.785 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.406 -12.483 -14.920 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.342 -11.549 -13.406 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.191 -10.718 -14.972 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.334 -12.887 -16.236 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.986 -11.147 -16.373 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.773 -12.246 -15.673 1.00 0.00 H new ATOM 951 N ARG A 64 1.793 -11.122 -13.566 1.00 0.00 N ATOM 952 CA ARG A 64 3.066 -10.644 -14.079 1.00 0.00 C ATOM 953 C ARG A 64 2.984 -10.438 -15.593 1.00 0.00 C ATOM 954 O ARG A 64 2.961 -11.404 -16.355 1.00 0.00 O ATOM 955 CB ARG A 64 4.192 -11.632 -13.766 1.00 0.00 C ATOM 956 CG ARG A 64 4.330 -11.845 -12.258 1.00 0.00 C ATOM 957 CD ARG A 64 5.698 -12.438 -11.911 1.00 0.00 C ATOM 958 NE ARG A 64 5.557 -13.872 -11.575 1.00 0.00 N ATOM 959 CZ ARG A 64 6.578 -14.663 -11.217 1.00 0.00 C ATOM 960 NH1 ARG A 64 7.819 -14.164 -11.145 1.00 0.00 N ATOM 961 NH2 ARG A 64 6.357 -15.953 -10.930 1.00 0.00 N ATOM 0 H ARG A 64 1.770 -12.117 -13.343 1.00 0.00 H new ATOM 0 HA ARG A 64 3.285 -9.694 -13.591 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.991 -12.585 -14.255 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.132 -11.258 -14.172 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.199 -10.895 -11.739 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.541 -12.511 -11.907 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.380 -12.319 -12.753 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.134 -11.900 -11.069 1.00 0.00 H new ATOM 0 HE ARG A 64 4.625 -14.284 -11.619 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.987 -13.182 -11.363 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.596 -14.766 -10.872 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.412 -16.333 -10.984 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.134 -16.555 -10.658 1.00 0.00 H new ATOM 975 N SER A 65 2.942 -9.173 -15.984 1.00 0.00 N ATOM 976 CA SER A 65 2.863 -8.827 -17.393 1.00 0.00 C ATOM 977 C SER A 65 3.820 -7.675 -17.704 1.00 0.00 C ATOM 978 O SER A 65 4.455 -7.130 -16.802 1.00 0.00 O ATOM 979 CB SER A 65 1.434 -8.452 -17.789 1.00 0.00 C ATOM 980 OG SER A 65 0.924 -9.299 -18.815 1.00 0.00 O ATOM 0 H SER A 65 2.961 -8.375 -15.349 1.00 0.00 H new ATOM 0 HA SER A 65 3.155 -9.700 -17.976 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.787 -8.513 -16.914 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.412 -7.417 -18.129 1.00 0.00 H new ATOM 0 HG SER A 65 0.009 -9.028 -19.038 1.00 0.00 H new ATOM 986 N ASN A 66 3.894 -7.337 -18.983 1.00 0.00 N ATOM 987 CA ASN A 66 4.763 -6.259 -19.424 1.00 0.00 C ATOM 988 C ASN A 66 4.547 -5.038 -18.528 1.00 0.00 C ATOM 989 O ASN A 66 3.420 -4.745 -18.132 1.00 0.00 O ATOM 990 CB ASN A 66 4.447 -5.851 -20.864 1.00 0.00 C ATOM 991 CG ASN A 66 5.731 -5.580 -21.651 1.00 0.00 C ATOM 992 OD1 ASN A 66 6.829 -5.588 -21.120 1.00 0.00 O ATOM 993 ND2 ASN A 66 5.532 -5.342 -22.944 1.00 0.00 N ATOM 0 H ASN A 66 3.366 -7.791 -19.728 1.00 0.00 H new ATOM 0 HA ASN A 66 5.793 -6.611 -19.367 1.00 0.00 H new ATOM 0 HB2 ASN A 66 3.876 -6.641 -21.353 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.821 -4.959 -20.864 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.326 -5.151 -23.555 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.586 -5.350 -23.324 1.00 0.00 H new ATOM 1000 N THR A 67 5.646 -4.357 -18.235 1.00 0.00 N ATOM 1001 CA THR A 67 5.591 -3.174 -17.394 1.00 0.00 C ATOM 1002 C THR A 67 5.113 -3.541 -15.987 1.00 0.00 C ATOM 1003 O THR A 67 3.911 -3.607 -15.734 1.00 0.00 O ATOM 1004 CB THR A 67 4.700 -2.141 -18.088 1.00 0.00 C ATOM 1005 OG1 THR A 67 5.536 -1.586 -19.099 1.00 0.00 O ATOM 1006 CG2 THR A 67 4.369 -0.952 -17.184 1.00 0.00 C ATOM 0 H THR A 67 6.579 -4.602 -18.565 1.00 0.00 H new ATOM 0 HA THR A 67 6.580 -2.736 -17.263 1.00 0.00 H new ATOM 0 HB THR A 67 3.775 -2.618 -18.413 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.037 -0.907 -19.600 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.735 -0.249 -17.725 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.845 -1.305 -16.296 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.291 -0.453 -16.886 1.00 0.00 H new ATOM 1014 N GLY A 68 6.079 -3.771 -15.110 1.00 0.00 N ATOM 1015 CA GLY A 68 5.772 -4.130 -13.736 1.00 0.00 C ATOM 1016 C GLY A 68 4.731 -5.250 -13.681 1.00 0.00 C ATOM 1017 O GLY A 68 4.403 -5.848 -14.705 1.00 0.00 O ATOM 0 H GLY A 68 7.075 -3.716 -15.324 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.682 -4.449 -13.228 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.399 -3.256 -13.203 1.00 0.00 H new ATOM 1021 N LEU A 69 4.241 -5.500 -12.476 1.00 0.00 N ATOM 1022 CA LEU A 69 3.244 -6.538 -12.275 1.00 0.00 C ATOM 1023 C LEU A 69 1.851 -5.905 -12.259 1.00 0.00 C ATOM 1024 O LEU A 69 1.720 -4.687 -12.145 1.00 0.00 O ATOM 1025 CB LEU A 69 3.564 -7.351 -11.019 1.00 0.00 C ATOM 1026 CG LEU A 69 5.003 -7.256 -10.506 1.00 0.00 C ATOM 1027 CD1 LEU A 69 5.172 -8.035 -9.201 1.00 0.00 C ATOM 1028 CD2 LEU A 69 5.997 -7.709 -11.577 1.00 0.00 C ATOM 0 H LEU A 69 4.515 -5.002 -11.629 1.00 0.00 H new ATOM 0 HA LEU A 69 3.262 -7.249 -13.101 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.893 -7.030 -10.222 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.340 -8.398 -11.221 1.00 0.00 H new ATOM 0 HG LEU A 69 5.220 -6.210 -10.287 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.203 -7.951 -8.858 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.503 -7.626 -8.444 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.930 -9.084 -9.370 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.012 -7.632 -11.187 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.791 -8.744 -11.850 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.897 -7.074 -12.458 1.00 0.00 H new ATOM 1040 N LEU A 70 0.846 -6.761 -12.375 1.00 0.00 N ATOM 1041 CA LEU A 70 -0.532 -6.301 -12.376 1.00 0.00 C ATOM 1042 C LEU A 70 -1.291 -6.974 -11.231 1.00 0.00 C ATOM 1043 O LEU A 70 -0.939 -8.076 -10.812 1.00 0.00 O ATOM 1044 CB LEU A 70 -1.170 -6.520 -13.749 1.00 0.00 C ATOM 1045 CG LEU A 70 -2.699 -6.513 -13.788 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -3.211 -5.978 -15.126 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -3.262 -7.900 -13.472 1.00 0.00 C ATOM 0 H LEU A 70 0.959 -7.770 -12.469 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.574 -5.226 -12.199 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.806 -5.746 -14.424 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.821 -7.475 -14.141 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.057 -5.836 -13.013 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.301 -5.984 -15.127 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.853 -4.959 -15.271 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.844 -6.610 -15.935 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.351 -7.867 -13.506 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.897 -8.617 -14.207 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.940 -8.205 -12.477 1.00 0.00 H new ATOM 1059 N TYR A 71 -2.317 -6.284 -10.757 1.00 0.00 N ATOM 1060 CA TYR A 71 -3.129 -6.802 -9.668 1.00 0.00 C ATOM 1061 C TYR A 71 -4.620 -6.659 -9.980 1.00 0.00 C ATOM 1062 O TYR A 71 -5.122 -5.547 -10.133 1.00 0.00 O ATOM 1063 CB TYR A 71 -2.791 -5.945 -8.446 1.00 0.00 C ATOM 1064 CG TYR A 71 -1.293 -5.707 -8.248 1.00 0.00 C ATOM 1065 CD1 TYR A 71 -0.417 -6.773 -8.259 1.00 0.00 C ATOM 1066 CD2 TYR A 71 -0.817 -4.425 -8.059 1.00 0.00 C ATOM 1067 CE1 TYR A 71 0.993 -6.549 -8.072 1.00 0.00 C ATOM 1068 CE2 TYR A 71 0.593 -4.201 -7.872 1.00 0.00 C ATOM 1069 CZ TYR A 71 1.428 -5.274 -7.888 1.00 0.00 C ATOM 1070 OH TYR A 71 2.760 -5.062 -7.712 1.00 0.00 O ATOM 0 H TYR A 71 -2.605 -5.370 -11.107 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.924 -7.860 -9.506 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.292 -4.982 -8.541 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.193 -6.427 -7.555 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.789 -7.776 -8.408 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.502 -3.590 -8.051 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.689 -7.375 -8.078 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.979 -3.203 -7.722 1.00 0.00 H new ATOM 0 HH TYR A 71 2.926 -4.103 -7.593 1.00 0.00 H new ATOM 1080 N ARG A 72 -5.286 -7.801 -10.064 1.00 0.00 N ATOM 1081 CA ARG A 72 -6.710 -7.818 -10.355 1.00 0.00 C ATOM 1082 C ARG A 72 -7.462 -8.601 -9.277 1.00 0.00 C ATOM 1083 O ARG A 72 -6.852 -9.136 -8.354 1.00 0.00 O ATOM 1084 CB ARG A 72 -6.986 -8.449 -11.721 1.00 0.00 C ATOM 1085 CG ARG A 72 -7.309 -9.938 -11.582 1.00 0.00 C ATOM 1086 CD ARG A 72 -7.211 -10.649 -12.933 1.00 0.00 C ATOM 1087 NE ARG A 72 -7.821 -11.995 -12.842 1.00 0.00 N ATOM 1088 CZ ARG A 72 -7.559 -12.997 -13.692 1.00 0.00 C ATOM 1089 NH1 ARG A 72 -6.697 -12.812 -14.701 1.00 0.00 N ATOM 1090 NH2 ARG A 72 -8.160 -14.184 -13.533 1.00 0.00 N ATOM 0 H ARG A 72 -4.866 -8.722 -9.936 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.058 -6.785 -10.368 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.819 -7.936 -12.201 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.118 -8.320 -12.367 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.620 -10.399 -10.874 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.313 -10.060 -11.175 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.717 -10.062 -13.700 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.167 -10.733 -13.234 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.482 -12.170 -12.085 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.240 -11.908 -14.822 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.498 -13.575 -15.348 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.817 -14.324 -12.765 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.961 -14.947 -14.180 1.00 0.00 H new ATOM 1104 N ILE A 73 -8.778 -8.642 -9.431 1.00 0.00 N ATOM 1105 CA ILE A 73 -9.620 -9.351 -8.483 1.00 0.00 C ATOM 1106 C ILE A 73 -9.411 -10.857 -8.648 1.00 0.00 C ATOM 1107 O ILE A 73 -9.508 -11.384 -9.756 1.00 0.00 O ATOM 1108 CB ILE A 73 -11.079 -8.913 -8.630 1.00 0.00 C ATOM 1109 CG1 ILE A 73 -11.507 -8.029 -7.457 1.00 0.00 C ATOM 1110 CG2 ILE A 73 -12.000 -10.122 -8.803 1.00 0.00 C ATOM 1111 CD1 ILE A 73 -11.233 -8.721 -6.121 1.00 0.00 C ATOM 0 H ILE A 73 -9.281 -8.196 -10.198 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.337 -9.100 -7.461 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.165 -8.311 -9.535 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.970 -7.081 -7.497 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.569 -7.798 -7.540 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.031 -9.783 -8.905 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.710 -10.675 -9.696 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.916 -10.771 -7.931 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.546 -8.071 -5.304 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.790 -9.657 -6.075 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.167 -8.929 -6.031 1.00 0.00 H new ATOM 1123 N LYS A 74 -9.127 -11.509 -7.530 1.00 0.00 N ATOM 1124 CA LYS A 74 -8.904 -12.945 -7.537 1.00 0.00 C ATOM 1125 C LYS A 74 -10.169 -13.652 -8.027 1.00 0.00 C ATOM 1126 O LYS A 74 -11.278 -13.282 -7.645 1.00 0.00 O ATOM 1127 CB LYS A 74 -8.428 -13.419 -6.162 1.00 0.00 C ATOM 1128 CG LYS A 74 -7.607 -14.706 -6.280 1.00 0.00 C ATOM 1129 CD LYS A 74 -6.455 -14.715 -5.274 1.00 0.00 C ATOM 1130 CE LYS A 74 -6.168 -16.135 -4.782 1.00 0.00 C ATOM 1131 NZ LYS A 74 -4.715 -16.416 -4.828 1.00 0.00 N ATOM 0 H LYS A 74 -9.046 -11.069 -6.613 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.105 -13.203 -8.233 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.826 -12.641 -5.693 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.288 -13.590 -5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.250 -15.569 -6.109 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.212 -14.798 -7.292 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.560 -14.299 -5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.702 -14.076 -4.427 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.535 -16.254 -3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.704 -16.856 -5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.538 -17.384 -4.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.374 -16.322 -5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.211 -15.740 -4.219 1.00 0.00 H new ATOM 1145 N ASP A 75 -9.960 -14.656 -8.865 1.00 0.00 N ATOM 1146 CA ASP A 75 -11.070 -15.418 -9.412 1.00 0.00 C ATOM 1147 C ASP A 75 -10.546 -16.736 -9.983 1.00 0.00 C ATOM 1148 O ASP A 75 -9.340 -16.906 -10.157 1.00 0.00 O ATOM 1149 CB ASP A 75 -11.759 -14.653 -10.543 1.00 0.00 C ATOM 1150 CG ASP A 75 -13.269 -14.472 -10.376 1.00 0.00 C ATOM 1151 OD1 ASP A 75 -13.881 -15.361 -9.746 1.00 0.00 O ATOM 1152 OD2 ASP A 75 -13.777 -13.447 -10.880 1.00 0.00 O ATOM 0 H ASP A 75 -9.038 -14.960 -9.179 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.785 -15.595 -8.609 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.298 -13.669 -10.629 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -11.573 -15.176 -11.481 1.00 0.00 H new ATOM 1157 N SER A 76 -11.477 -17.637 -10.260 1.00 0.00 N ATOM 1158 CA SER A 76 -11.124 -18.935 -10.809 1.00 0.00 C ATOM 1159 C SER A 76 -11.977 -19.231 -12.044 1.00 0.00 C ATOM 1160 O SER A 76 -11.451 -19.372 -13.147 1.00 0.00 O ATOM 1161 CB SER A 76 -11.300 -20.040 -9.766 1.00 0.00 C ATOM 1162 OG SER A 76 -10.682 -21.259 -10.170 1.00 0.00 O ATOM 0 H SER A 76 -12.476 -17.493 -10.114 1.00 0.00 H new ATOM 0 HA SER A 76 -10.074 -18.909 -11.099 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.873 -19.714 -8.817 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.363 -20.212 -9.595 1.00 0.00 H new ATOM 0 HG SER A 76 -10.815 -21.939 -9.477 1.00 0.00 H new ATOM 1168 N GLY A 77 -13.280 -19.316 -11.817 1.00 0.00 N ATOM 1169 CA GLY A 77 -14.211 -19.593 -12.898 1.00 0.00 C ATOM 1170 C GLY A 77 -13.952 -18.674 -14.094 1.00 0.00 C ATOM 1171 O GLY A 77 -13.404 -17.584 -13.936 1.00 0.00 O ATOM 0 H GLY A 77 -13.713 -19.198 -10.901 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.115 -20.634 -13.207 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.234 -19.458 -12.546 1.00 0.00 H new ATOM 1175 N PRO A 78 -14.368 -19.161 -15.293 1.00 0.00 N ATOM 1176 CA PRO A 78 -14.187 -18.396 -16.515 1.00 0.00 C ATOM 1177 C PRO A 78 -15.191 -17.244 -16.595 1.00 0.00 C ATOM 1178 O PRO A 78 -16.174 -17.322 -17.330 1.00 0.00 O ATOM 1179 CB PRO A 78 -14.351 -19.405 -17.640 1.00 0.00 C ATOM 1180 CG PRO A 78 -15.074 -20.595 -17.030 1.00 0.00 C ATOM 1181 CD PRO A 78 -15.020 -20.448 -15.518 1.00 0.00 C ATOM 0 HA PRO A 78 -13.210 -17.915 -16.568 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -14.924 -18.981 -18.465 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.383 -19.701 -18.043 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.108 -20.631 -17.373 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.603 -21.528 -17.340 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -16.019 -20.467 -15.082 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.457 -21.262 -15.061 1.00 0.00 H new ATOM 1189 N SER A 79 -14.909 -16.201 -15.828 1.00 0.00 N ATOM 1190 CA SER A 79 -15.775 -15.035 -15.803 1.00 0.00 C ATOM 1191 C SER A 79 -15.050 -13.832 -16.409 1.00 0.00 C ATOM 1192 O SER A 79 -13.855 -13.644 -16.184 1.00 0.00 O ATOM 1193 CB SER A 79 -16.229 -14.717 -14.377 1.00 0.00 C ATOM 1194 OG SER A 79 -16.923 -15.810 -13.781 1.00 0.00 O ATOM 0 H SER A 79 -14.093 -16.139 -15.219 1.00 0.00 H new ATOM 0 HA SER A 79 -16.662 -15.255 -16.398 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.361 -14.464 -13.768 1.00 0.00 H new ATOM 0 HB3 SER A 79 -16.876 -13.840 -14.390 1.00 0.00 H new ATOM 0 HG SER A 79 -17.195 -15.568 -12.871 1.00 0.00 H new ATOM 1200 N SER A 80 -15.803 -13.047 -17.166 1.00 0.00 N ATOM 1201 CA SER A 80 -15.247 -11.867 -17.807 1.00 0.00 C ATOM 1202 C SER A 80 -15.627 -10.614 -17.016 1.00 0.00 C ATOM 1203 O SER A 80 -16.764 -10.149 -17.092 1.00 0.00 O ATOM 1204 CB SER A 80 -15.728 -11.748 -19.254 1.00 0.00 C ATOM 1205 OG SER A 80 -15.442 -12.921 -20.010 1.00 0.00 O ATOM 0 H SER A 80 -16.794 -13.205 -17.350 1.00 0.00 H new ATOM 0 HA SER A 80 -14.161 -11.965 -17.821 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.802 -11.563 -19.265 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.251 -10.888 -19.725 1.00 0.00 H new ATOM 0 HG SER A 80 -15.766 -12.806 -20.928 1.00 0.00 H new ATOM 1211 N GLY A 81 -14.655 -10.104 -16.274 1.00 0.00 N ATOM 1212 CA GLY A 81 -14.874 -8.913 -15.470 1.00 0.00 C ATOM 1213 C GLY A 81 -16.158 -9.036 -14.647 1.00 0.00 C ATOM 1214 O GLY A 81 -16.538 -8.104 -13.940 1.00 0.00 O ATOM 0 H GLY A 81 -13.714 -10.493 -16.212 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.025 -8.758 -14.805 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.935 -8.039 -16.118 1.00 0.00 H new TER 1218 GLY A 81