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+ -117:sc= 0.131 (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= -0.188 X(o=-0.19,f=-0.15) USER MOD Single : A 23 CYS SG : rot -70:sc= -6.36! USER MOD Single : A 24 HIS : no HD1:sc= -0.406 K(o=-0.41,f=-1) USER MOD Single : A 25 GLN : amide:sc= -0.562 X(o=-0.56,f=-0.7) USER MOD Single : A 28 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=-6.5e-06) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 37 ASN : amide:sc=-0.00893 X(o=-0.0089,f=-0.026) USER MOD Single : A 39 MET CE :methyl 159:sc= -1.66 (180deg=-2.72) USER MOD Single : A 41 HIS : no HD1:sc= -0.0634 X(o=-0.063,f=-0.24) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN :FLIP amide:sc= -0.786! F(o=-1.7,f=-0.79!) USER MOD Single : A 52 ASN : amide:sc= -0.045 K(o=-0.045,f=-0.75) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -146:sc= -2.25 (180deg=-3.72!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.451 USER MOD Single : A 66 ASN : amide:sc= -0.125 X(o=-0.12,f=-0.53) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.377! USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -158:sc= 0.00605 (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 42:sc= 0.486 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.220 -5.905 9.883 1.00 0.00 N ATOM 2 CA GLY A 1 13.426 -4.692 9.111 1.00 0.00 C ATOM 3 C GLY A 1 14.772 -4.048 9.450 1.00 0.00 C ATOM 4 O GLY A 1 15.513 -4.556 10.290 1.00 0.00 O ATOM 0 H1 GLY A 1 13.158 -6.720 9.240 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.017 -6.040 10.537 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.337 -5.825 10.426 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.387 -4.923 8.047 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.620 -3.987 9.313 1.00 0.00 H new ATOM 8 N SER A 2 15.048 -2.940 8.778 1.00 0.00 N ATOM 9 CA SER A 2 16.291 -2.222 8.998 1.00 0.00 C ATOM 10 C SER A 2 16.001 -0.842 9.592 1.00 0.00 C ATOM 11 O SER A 2 16.483 -0.515 10.676 1.00 0.00 O ATOM 12 CB SER A 2 17.085 -2.083 7.697 1.00 0.00 C ATOM 13 OG SER A 2 18.486 -2.232 7.907 1.00 0.00 O ATOM 0 H SER A 2 14.432 -2.522 8.081 1.00 0.00 H new ATOM 0 HA SER A 2 16.895 -2.794 9.702 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.744 -2.832 6.983 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.887 -1.107 7.254 1.00 0.00 H new ATOM 0 HG SER A 2 18.957 -2.138 7.053 1.00 0.00 H new ATOM 19 N SER A 3 15.216 -0.069 8.856 1.00 0.00 N ATOM 20 CA SER A 3 14.855 1.267 9.297 1.00 0.00 C ATOM 21 C SER A 3 13.377 1.533 9.008 1.00 0.00 C ATOM 22 O SER A 3 12.973 1.619 7.849 1.00 0.00 O ATOM 23 CB SER A 3 15.728 2.325 8.617 1.00 0.00 C ATOM 24 OG SER A 3 17.011 2.431 9.227 1.00 0.00 O ATOM 0 H SER A 3 14.820 -0.343 7.957 1.00 0.00 H new ATOM 0 HA SER A 3 15.024 1.330 10.372 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.847 2.074 7.563 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.226 3.291 8.659 1.00 0.00 H new ATOM 0 HG SER A 3 17.538 3.115 8.764 1.00 0.00 H new ATOM 30 N GLY A 4 12.610 1.656 10.081 1.00 0.00 N ATOM 31 CA GLY A 4 11.184 1.910 9.957 1.00 0.00 C ATOM 32 C GLY A 4 10.716 2.925 11.002 1.00 0.00 C ATOM 33 O GLY A 4 11.072 2.824 12.175 1.00 0.00 O ATOM 0 H GLY A 4 12.949 1.585 11.040 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.963 2.284 8.957 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.633 0.977 10.078 1.00 0.00 H new ATOM 37 N SER A 5 9.923 3.880 10.538 1.00 0.00 N ATOM 38 CA SER A 5 9.402 4.913 11.418 1.00 0.00 C ATOM 39 C SER A 5 8.439 4.296 12.435 1.00 0.00 C ATOM 40 O SER A 5 8.074 3.127 12.320 1.00 0.00 O ATOM 41 CB SER A 5 8.698 6.012 10.620 1.00 0.00 C ATOM 42 OG SER A 5 9.401 7.251 10.684 1.00 0.00 O ATOM 0 H SER A 5 9.629 3.960 9.565 1.00 0.00 H new ATOM 0 HA SER A 5 10.240 5.366 11.948 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.604 5.701 9.579 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.687 6.148 11.004 1.00 0.00 H new ATOM 0 HG SER A 5 8.921 7.927 10.161 1.00 0.00 H new ATOM 48 N SER A 6 8.057 5.110 13.408 1.00 0.00 N ATOM 49 CA SER A 6 7.144 4.659 14.445 1.00 0.00 C ATOM 50 C SER A 6 5.754 5.256 14.214 1.00 0.00 C ATOM 51 O SER A 6 5.592 6.475 14.202 1.00 0.00 O ATOM 52 CB SER A 6 7.659 5.037 15.835 1.00 0.00 C ATOM 53 OG SER A 6 7.602 3.940 16.742 1.00 0.00 O ATOM 0 H SER A 6 8.363 6.079 13.500 1.00 0.00 H new ATOM 0 HA SER A 6 7.079 3.572 14.394 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.687 5.390 15.757 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.067 5.864 16.228 1.00 0.00 H new ATOM 0 HG SER A 6 7.941 4.221 17.617 1.00 0.00 H new ATOM 59 N GLY A 7 4.786 4.369 14.036 1.00 0.00 N ATOM 60 CA GLY A 7 3.415 4.793 13.806 1.00 0.00 C ATOM 61 C GLY A 7 2.736 3.907 12.759 1.00 0.00 C ATOM 62 O GLY A 7 3.409 3.247 11.969 1.00 0.00 O ATOM 0 H GLY A 7 4.924 3.358 14.046 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.856 4.751 14.741 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.402 5.831 13.473 1.00 0.00 H new ATOM 66 N PRO A 8 1.377 3.924 12.787 1.00 0.00 N ATOM 67 CA PRO A 8 0.599 3.131 11.850 1.00 0.00 C ATOM 68 C PRO A 8 0.612 3.761 10.456 1.00 0.00 C ATOM 69 O PRO A 8 1.060 3.139 9.494 1.00 0.00 O ATOM 70 CB PRO A 8 -0.793 3.058 12.457 1.00 0.00 C ATOM 71 CG PRO A 8 -0.867 4.193 13.466 1.00 0.00 C ATOM 72 CD PRO A 8 0.547 4.694 13.708 1.00 0.00 C ATOM 0 HA PRO A 8 1.008 2.131 11.704 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.560 3.166 11.690 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.959 2.095 12.940 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.498 4.998 13.089 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.314 3.847 14.398 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.627 5.763 13.513 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.852 4.535 14.742 1.00 0.00 H new ATOM 80 N ASP A 9 0.115 4.987 10.391 1.00 0.00 N ATOM 81 CA ASP A 9 0.063 5.708 9.131 1.00 0.00 C ATOM 82 C ASP A 9 -0.786 4.920 8.132 1.00 0.00 C ATOM 83 O ASP A 9 -0.267 4.086 7.392 1.00 0.00 O ATOM 84 CB ASP A 9 1.462 5.875 8.534 1.00 0.00 C ATOM 85 CG ASP A 9 2.274 7.039 9.105 1.00 0.00 C ATOM 86 OD1 ASP A 9 1.824 7.597 10.129 1.00 0.00 O ATOM 87 OD2 ASP A 9 3.327 7.345 8.504 1.00 0.00 O ATOM 0 H ASP A 9 -0.256 5.500 11.191 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.367 6.691 9.323 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.020 4.952 8.690 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.367 6.012 7.457 1.00 0.00 H new ATOM 92 N ALA A 10 -2.079 5.212 8.143 1.00 0.00 N ATOM 93 CA ALA A 10 -3.005 4.541 7.247 1.00 0.00 C ATOM 94 C ALA A 10 -3.120 3.069 7.647 1.00 0.00 C ATOM 95 O ALA A 10 -2.293 2.248 7.252 1.00 0.00 O ATOM 96 CB ALA A 10 -2.536 4.717 5.801 1.00 0.00 C ATOM 0 H ALA A 10 -2.507 5.904 8.758 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.999 4.982 7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.231 4.213 5.129 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.500 5.779 5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.542 4.284 5.686 1.00 0.00 H new ATOM 102 N ASP A 11 -4.151 2.780 8.427 1.00 0.00 N ATOM 103 CA ASP A 11 -4.385 1.421 8.886 1.00 0.00 C ATOM 104 C ASP A 11 -4.115 0.446 7.737 1.00 0.00 C ATOM 105 O ASP A 11 -4.119 0.839 6.572 1.00 0.00 O ATOM 106 CB ASP A 11 -5.835 1.232 9.335 1.00 0.00 C ATOM 107 CG ASP A 11 -6.014 0.881 10.813 1.00 0.00 C ATOM 108 OD1 ASP A 11 -5.202 1.386 11.619 1.00 0.00 O ATOM 109 OD2 ASP A 11 -6.958 0.115 11.104 1.00 0.00 O ATOM 0 H ASP A 11 -4.834 3.464 8.753 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.720 1.231 9.728 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.387 2.148 9.125 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.286 0.443 8.733 1.00 0.00 H new ATOM 114 N PRO A 12 -3.881 -0.839 8.117 1.00 0.00 N ATOM 115 CA PRO A 12 -3.610 -1.872 7.132 1.00 0.00 C ATOM 116 C PRO A 12 -4.890 -2.284 6.403 1.00 0.00 C ATOM 117 O PRO A 12 -4.996 -2.125 5.188 1.00 0.00 O ATOM 118 CB PRO A 12 -2.982 -3.011 7.920 1.00 0.00 C ATOM 119 CG PRO A 12 -3.349 -2.763 9.374 1.00 0.00 C ATOM 120 CD PRO A 12 -3.868 -1.340 9.488 1.00 0.00 C ATOM 0 HA PRO A 12 -2.940 -1.534 6.342 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.360 -3.976 7.581 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.900 -3.028 7.788 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.108 -3.473 9.703 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.480 -2.905 10.016 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.865 -1.316 9.928 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.224 -0.734 10.125 1.00 0.00 H new ATOM 128 N VAL A 13 -5.832 -2.806 7.176 1.00 0.00 N ATOM 129 CA VAL A 13 -7.101 -3.241 6.619 1.00 0.00 C ATOM 130 C VAL A 13 -7.572 -2.225 5.577 1.00 0.00 C ATOM 131 O VAL A 13 -7.874 -2.590 4.441 1.00 0.00 O ATOM 132 CB VAL A 13 -8.118 -3.461 7.741 1.00 0.00 C ATOM 133 CG1 VAL A 13 -8.209 -2.230 8.646 1.00 0.00 C ATOM 134 CG2 VAL A 13 -9.490 -3.828 7.174 1.00 0.00 C ATOM 0 H VAL A 13 -5.741 -2.937 8.183 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.986 -4.198 6.111 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.773 -4.298 8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.938 -2.412 9.435 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.234 -2.033 9.091 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.520 -1.367 8.057 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.194 -3.979 7.993 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.846 -3.022 6.533 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.409 -4.746 6.591 1.00 0.00 H new ATOM 144 N GLU A 14 -7.619 -0.970 5.999 1.00 0.00 N ATOM 145 CA GLU A 14 -8.047 0.101 5.117 1.00 0.00 C ATOM 146 C GLU A 14 -7.308 0.015 3.780 1.00 0.00 C ATOM 147 O GLU A 14 -7.930 -0.149 2.732 1.00 0.00 O ATOM 148 CB GLU A 14 -7.838 1.468 5.772 1.00 0.00 C ATOM 149 CG GLU A 14 -9.152 2.011 6.339 1.00 0.00 C ATOM 150 CD GLU A 14 -9.647 3.208 5.525 1.00 0.00 C ATOM 151 OE1 GLU A 14 -9.040 4.290 5.681 1.00 0.00 O ATOM 152 OE2 GLU A 14 -10.621 3.015 4.766 1.00 0.00 O ATOM 0 H GLU A 14 -7.367 -0.671 6.941 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.114 -0.015 4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.101 1.384 6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.437 2.169 5.040 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.907 1.225 6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.009 2.307 7.378 1.00 0.00 H new ATOM 159 N ILE A 15 -5.990 0.130 3.860 1.00 0.00 N ATOM 160 CA ILE A 15 -5.160 0.068 2.670 1.00 0.00 C ATOM 161 C ILE A 15 -5.654 -1.064 1.767 1.00 0.00 C ATOM 162 O ILE A 15 -6.068 -0.824 0.634 1.00 0.00 O ATOM 163 CB ILE A 15 -3.683 -0.051 3.052 1.00 0.00 C ATOM 164 CG1 ILE A 15 -3.213 1.188 3.818 1.00 0.00 C ATOM 165 CG2 ILE A 15 -2.818 -0.326 1.821 1.00 0.00 C ATOM 166 CD1 ILE A 15 -1.950 0.886 4.626 1.00 0.00 C ATOM 0 H ILE A 15 -5.477 0.266 4.731 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.244 0.992 2.099 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.571 -0.905 3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.016 2.000 3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.004 1.529 4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.773 -0.406 2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.134 -1.259 1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.929 0.491 1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.637 1.783 5.161 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.158 0.091 5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.154 0.569 3.952 1.00 0.00 H new ATOM 178 N GLU A 16 -5.594 -2.274 2.303 1.00 0.00 N ATOM 179 CA GLU A 16 -6.031 -3.444 1.560 1.00 0.00 C ATOM 180 C GLU A 16 -7.402 -3.191 0.929 1.00 0.00 C ATOM 181 O GLU A 16 -7.552 -3.268 -0.289 1.00 0.00 O ATOM 182 CB GLU A 16 -6.060 -4.684 2.456 1.00 0.00 C ATOM 183 CG GLU A 16 -4.713 -4.890 3.151 1.00 0.00 C ATOM 184 CD GLU A 16 -4.611 -6.297 3.743 1.00 0.00 C ATOM 185 OE1 GLU A 16 -5.346 -7.177 3.245 1.00 0.00 O ATOM 186 OE2 GLU A 16 -3.800 -6.462 4.680 1.00 0.00 O ATOM 0 H GLU A 16 -5.249 -2.470 3.243 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.314 -3.631 0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.846 -4.579 3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.303 -5.563 1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.904 -4.732 2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.590 -4.149 3.941 1.00 0.00 H new ATOM 193 N ASN A 17 -8.367 -2.895 1.787 1.00 0.00 N ATOM 194 CA ASN A 17 -9.720 -2.630 1.329 1.00 0.00 C ATOM 195 C ASN A 17 -9.666 -1.776 0.060 1.00 0.00 C ATOM 196 O ASN A 17 -10.212 -2.158 -0.974 1.00 0.00 O ATOM 197 CB ASN A 17 -10.518 -1.861 2.383 1.00 0.00 C ATOM 198 CG ASN A 17 -11.498 -2.784 3.110 1.00 0.00 C ATOM 199 OD1 ASN A 17 -12.297 -3.482 2.508 1.00 0.00 O ATOM 200 ND2 ASN A 17 -11.392 -2.749 4.436 1.00 0.00 N ATOM 0 H ASN A 17 -8.239 -2.833 2.797 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.205 -3.587 1.138 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.836 -1.410 3.103 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.064 -1.046 1.908 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.002 -3.330 5.012 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.701 -2.142 4.877 1.00 0.00 H new ATOM 207 N ARG A 18 -9.004 -0.634 0.182 1.00 0.00 N ATOM 208 CA ARG A 18 -8.872 0.277 -0.942 1.00 0.00 C ATOM 209 C ARG A 18 -8.551 -0.499 -2.221 1.00 0.00 C ATOM 210 O ARG A 18 -9.260 -0.379 -3.219 1.00 0.00 O ATOM 211 CB ARG A 18 -7.770 1.308 -0.689 1.00 0.00 C ATOM 212 CG ARG A 18 -8.303 2.732 -0.854 1.00 0.00 C ATOM 213 CD ARG A 18 -8.846 2.955 -2.267 1.00 0.00 C ATOM 214 NE ARG A 18 -8.807 4.396 -2.603 1.00 0.00 N ATOM 215 CZ ARG A 18 -9.701 5.293 -2.167 1.00 0.00 C ATOM 216 NH1 ARG A 18 -10.710 4.904 -1.376 1.00 0.00 N ATOM 217 NH2 ARG A 18 -9.587 6.580 -2.523 1.00 0.00 N ATOM 0 H ARG A 18 -8.554 -0.319 1.042 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.822 0.798 -1.059 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.371 1.180 0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.946 1.142 -1.382 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.092 2.915 -0.124 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.507 3.448 -0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.254 2.389 -2.986 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.869 2.585 -2.335 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.052 4.727 -3.204 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.798 3.924 -1.106 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.391 5.587 -1.044 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.819 6.876 -3.126 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.268 7.263 -2.191 1.00 0.00 H new ATOM 231 N ILE A 19 -7.482 -1.278 -2.149 1.00 0.00 N ATOM 232 CA ILE A 19 -7.058 -2.074 -3.289 1.00 0.00 C ATOM 233 C ILE A 19 -8.251 -2.874 -3.818 1.00 0.00 C ATOM 234 O ILE A 19 -8.527 -2.862 -5.017 1.00 0.00 O ATOM 235 CB ILE A 19 -5.853 -2.940 -2.919 1.00 0.00 C ATOM 236 CG1 ILE A 19 -4.608 -2.080 -2.693 1.00 0.00 C ATOM 237 CG2 ILE A 19 -5.615 -4.027 -3.969 1.00 0.00 C ATOM 238 CD1 ILE A 19 -3.651 -2.749 -1.704 1.00 0.00 C ATOM 0 H ILE A 19 -6.897 -1.375 -1.319 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.721 -1.429 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.072 -3.444 -1.978 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.099 -1.915 -3.642 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.902 -1.101 -2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.752 -4.628 -3.681 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.496 -4.666 -4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.427 -3.563 -4.937 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.775 -2.117 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.156 -2.890 -0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.340 -3.717 -2.097 1.00 0.00 H new ATOM 250 N ILE A 20 -8.924 -3.549 -2.899 1.00 0.00 N ATOM 251 CA ILE A 20 -10.080 -4.353 -3.259 1.00 0.00 C ATOM 252 C ILE A 20 -11.012 -3.529 -4.149 1.00 0.00 C ATOM 253 O ILE A 20 -11.324 -3.932 -5.269 1.00 0.00 O ATOM 254 CB ILE A 20 -10.759 -4.906 -2.004 1.00 0.00 C ATOM 255 CG1 ILE A 20 -9.743 -5.589 -1.086 1.00 0.00 C ATOM 256 CG2 ILE A 20 -11.916 -5.838 -2.372 1.00 0.00 C ATOM 257 CD1 ILE A 20 -8.785 -6.471 -1.889 1.00 0.00 C ATOM 0 H ILE A 20 -8.692 -3.556 -1.906 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.773 -5.224 -3.838 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.183 -4.069 -1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.177 -4.835 -0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.266 -6.194 -0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.381 -6.217 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -12.655 -5.288 -2.955 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.537 -6.673 -2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.073 -6.945 -1.213 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.352 -7.239 -2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.246 -5.859 -2.612 1.00 0.00 H new ATOM 269 N GLU A 21 -11.430 -2.388 -3.619 1.00 0.00 N ATOM 270 CA GLU A 21 -12.319 -1.504 -4.352 1.00 0.00 C ATOM 271 C GLU A 21 -11.784 -1.265 -5.766 1.00 0.00 C ATOM 272 O GLU A 21 -12.558 -1.140 -6.713 1.00 0.00 O ATOM 273 CB GLU A 21 -12.513 -0.181 -3.608 1.00 0.00 C ATOM 274 CG GLU A 21 -13.838 -0.170 -2.845 1.00 0.00 C ATOM 275 CD GLU A 21 -14.495 1.210 -2.906 1.00 0.00 C ATOM 276 OE1 GLU A 21 -13.840 2.171 -2.449 1.00 0.00 O ATOM 277 OE2 GLU A 21 -15.638 1.273 -3.410 1.00 0.00 O ATOM 0 H GLU A 21 -11.169 -2.056 -2.691 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.294 -1.985 -4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.688 -0.026 -2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.491 0.646 -4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.511 -0.916 -3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.665 -0.449 -1.805 1.00 0.00 H new ATOM 284 N LEU A 22 -10.464 -1.208 -5.862 1.00 0.00 N ATOM 285 CA LEU A 22 -9.816 -0.986 -7.144 1.00 0.00 C ATOM 286 C LEU A 22 -9.881 -2.270 -7.972 1.00 0.00 C ATOM 287 O LEU A 22 -10.389 -2.265 -9.093 1.00 0.00 O ATOM 288 CB LEU A 22 -8.395 -0.456 -6.941 1.00 0.00 C ATOM 289 CG LEU A 22 -8.205 1.048 -7.141 1.00 0.00 C ATOM 290 CD1 LEU A 22 -7.419 1.661 -5.981 1.00 0.00 C ATOM 291 CD2 LEU A 22 -7.553 1.344 -8.494 1.00 0.00 C ATOM 0 H LEU A 22 -9.825 -1.312 -5.073 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.341 -0.215 -7.708 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.074 -0.711 -5.931 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.731 -0.980 -7.628 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.189 1.518 -7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.298 2.731 -6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.960 1.499 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.438 1.191 -5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.429 2.421 -8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.578 0.860 -8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.187 0.963 -9.295 1.00 0.00 H new ATOM 303 N CYS A 23 -9.360 -3.340 -7.390 1.00 0.00 N ATOM 304 CA CYS A 23 -9.352 -4.629 -8.061 1.00 0.00 C ATOM 305 C CYS A 23 -10.758 -4.897 -8.602 1.00 0.00 C ATOM 306 O CYS A 23 -10.921 -5.610 -9.591 1.00 0.00 O ATOM 307 CB CYS A 23 -8.876 -5.747 -7.132 1.00 0.00 C ATOM 308 SG CYS A 23 -7.207 -5.358 -6.488 1.00 0.00 S ATOM 0 H CYS A 23 -8.940 -3.341 -6.460 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.643 -4.607 -8.889 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.575 -5.866 -6.305 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.855 -6.694 -7.671 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.338 -5.454 -7.450 1.00 0.00 H new ATOM 314 N HIS A 24 -11.738 -4.311 -7.929 1.00 0.00 N ATOM 315 CA HIS A 24 -13.125 -4.477 -8.330 1.00 0.00 C ATOM 316 C HIS A 24 -13.423 -3.578 -9.531 1.00 0.00 C ATOM 317 O HIS A 24 -14.062 -4.008 -10.490 1.00 0.00 O ATOM 318 CB HIS A 24 -14.066 -4.224 -7.151 1.00 0.00 C ATOM 319 CG HIS A 24 -14.527 -5.480 -6.452 1.00 0.00 C ATOM 320 ND1 HIS A 24 -14.875 -6.633 -7.134 1.00 0.00 N ATOM 321 CD2 HIS A 24 -14.694 -5.753 -5.126 1.00 0.00 C ATOM 322 CE1 HIS A 24 -15.233 -7.551 -6.249 1.00 0.00 C ATOM 323 NE2 HIS A 24 -15.121 -7.004 -5.005 1.00 0.00 N ATOM 0 H HIS A 24 -11.599 -3.721 -7.109 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.296 -5.508 -8.641 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.562 -3.583 -6.428 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -14.939 -3.678 -7.507 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.510 -5.067 -4.312 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.557 -8.557 -6.473 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -15.331 -7.478 -4.126 1.00 0.00 H new ATOM 331 N GLN A 25 -12.947 -2.345 -9.439 1.00 0.00 N ATOM 332 CA GLN A 25 -13.155 -1.381 -10.506 1.00 0.00 C ATOM 333 C GLN A 25 -12.459 -1.847 -11.786 1.00 0.00 C ATOM 334 O GLN A 25 -12.950 -1.605 -12.887 1.00 0.00 O ATOM 335 CB GLN A 25 -12.666 0.009 -10.092 1.00 0.00 C ATOM 336 CG GLN A 25 -13.835 0.892 -9.650 1.00 0.00 C ATOM 337 CD GLN A 25 -14.918 0.950 -10.730 1.00 0.00 C ATOM 338 OE1 GLN A 25 -16.000 0.404 -10.590 1.00 0.00 O ATOM 339 NE2 GLN A 25 -14.566 1.639 -11.811 1.00 0.00 N ATOM 0 H GLN A 25 -12.418 -1.991 -8.642 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.225 -1.311 -10.702 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.946 -0.082 -9.278 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.146 0.479 -10.927 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.260 0.503 -8.725 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.475 1.898 -9.437 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.643 2.071 -11.862 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -15.219 1.736 -12.589 1.00 0.00 H new ATOM 348 N PHE A 26 -11.326 -2.508 -11.599 1.00 0.00 N ATOM 349 CA PHE A 26 -10.558 -3.011 -12.725 1.00 0.00 C ATOM 350 C PHE A 26 -10.404 -4.531 -12.649 1.00 0.00 C ATOM 351 O PHE A 26 -9.613 -5.040 -11.856 1.00 0.00 O ATOM 352 CB PHE A 26 -9.173 -2.365 -12.645 1.00 0.00 C ATOM 353 CG PHE A 26 -9.201 -0.836 -12.601 1.00 0.00 C ATOM 354 CD1 PHE A 26 -9.467 -0.195 -11.432 1.00 0.00 C ATOM 355 CD2 PHE A 26 -8.959 -0.118 -13.731 1.00 0.00 C ATOM 356 CE1 PHE A 26 -9.493 1.225 -11.390 1.00 0.00 C ATOM 357 CE2 PHE A 26 -8.985 1.301 -13.689 1.00 0.00 C ATOM 358 CZ PHE A 26 -9.251 1.942 -12.520 1.00 0.00 C ATOM 0 H PHE A 26 -10.921 -2.707 -10.684 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.066 -2.771 -13.659 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.662 -2.734 -11.756 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.585 -2.683 -13.506 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.659 -0.765 -10.535 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.747 -0.627 -14.660 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.705 1.734 -10.462 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.793 1.871 -14.586 1.00 0.00 H new ATOM 0 HZ PHE A 26 -9.270 3.021 -12.489 1.00 0.00 H new ATOM 368 N PRO A 27 -11.193 -5.232 -13.506 1.00 0.00 N ATOM 369 CA PRO A 27 -11.152 -6.684 -13.543 1.00 0.00 C ATOM 370 C PRO A 27 -9.887 -7.179 -14.248 1.00 0.00 C ATOM 371 O PRO A 27 -9.399 -8.271 -13.961 1.00 0.00 O ATOM 372 CB PRO A 27 -12.429 -7.096 -14.257 1.00 0.00 C ATOM 373 CG PRO A 27 -12.907 -5.859 -15.001 1.00 0.00 C ATOM 374 CD PRO A 27 -12.141 -4.664 -14.459 1.00 0.00 C ATOM 0 HA PRO A 27 -11.106 -7.129 -12.549 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.243 -7.919 -14.947 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.181 -7.439 -13.546 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.736 -5.968 -16.072 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.979 -5.720 -14.862 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.627 -4.128 -15.257 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.809 -3.951 -13.976 1.00 0.00 H new ATOM 382 N HIS A 28 -9.392 -6.352 -15.157 1.00 0.00 N ATOM 383 CA HIS A 28 -8.193 -6.692 -15.904 1.00 0.00 C ATOM 384 C HIS A 28 -6.982 -6.667 -14.970 1.00 0.00 C ATOM 385 O HIS A 28 -6.126 -7.548 -15.034 1.00 0.00 O ATOM 386 CB HIS A 28 -8.028 -5.770 -17.114 1.00 0.00 C ATOM 387 CG HIS A 28 -9.023 -6.026 -18.221 1.00 0.00 C ATOM 388 ND1 HIS A 28 -9.727 -5.011 -18.845 1.00 0.00 N ATOM 389 CD2 HIS A 28 -9.424 -7.190 -18.809 1.00 0.00 C ATOM 390 CE1 HIS A 28 -10.514 -5.551 -19.765 1.00 0.00 C ATOM 391 NE2 HIS A 28 -10.324 -6.902 -19.740 1.00 0.00 N ATOM 0 H HIS A 28 -9.799 -5.447 -15.393 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.281 -7.704 -16.300 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.124 -4.735 -16.785 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.020 -5.886 -17.512 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.069 -8.179 -18.559 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.187 -5.016 -20.419 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.796 -7.579 -20.339 1.00 0.00 H new ATOM 399 N GLY A 29 -6.948 -5.648 -14.124 1.00 0.00 N ATOM 400 CA GLY A 29 -5.855 -5.496 -13.179 1.00 0.00 C ATOM 401 C GLY A 29 -5.418 -4.034 -13.075 1.00 0.00 C ATOM 402 O GLY A 29 -5.802 -3.207 -13.902 1.00 0.00 O ATOM 0 H GLY A 29 -7.660 -4.919 -14.073 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.165 -5.857 -12.198 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.011 -6.110 -13.493 1.00 0.00 H new ATOM 406 N ILE A 30 -4.623 -3.758 -12.052 1.00 0.00 N ATOM 407 CA ILE A 30 -4.130 -2.409 -11.829 1.00 0.00 C ATOM 408 C ILE A 30 -2.604 -2.440 -11.724 1.00 0.00 C ATOM 409 O ILE A 30 -2.017 -3.487 -11.458 1.00 0.00 O ATOM 410 CB ILE A 30 -4.817 -1.781 -10.615 1.00 0.00 C ATOM 411 CG1 ILE A 30 -4.314 -2.410 -9.314 1.00 0.00 C ATOM 412 CG2 ILE A 30 -6.339 -1.867 -10.742 1.00 0.00 C ATOM 413 CD1 ILE A 30 -5.195 -2.003 -8.132 1.00 0.00 C ATOM 0 H ILE A 30 -4.308 -4.446 -11.368 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.379 -1.768 -12.674 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.555 -0.723 -10.583 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.307 -3.496 -9.410 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.286 -2.099 -9.130 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.803 -1.414 -9.866 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.660 -1.336 -11.638 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.640 -2.912 -10.812 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.816 -2.464 -7.220 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.181 -0.918 -8.024 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.218 -2.336 -8.309 1.00 0.00 H new ATOM 425 N THR A 31 -2.005 -1.278 -11.939 1.00 0.00 N ATOM 426 CA THR A 31 -0.558 -1.158 -11.872 1.00 0.00 C ATOM 427 C THR A 31 -0.149 -0.301 -10.672 1.00 0.00 C ATOM 428 O THR A 31 -0.881 0.603 -10.272 1.00 0.00 O ATOM 429 CB THR A 31 -0.067 -0.603 -13.211 1.00 0.00 C ATOM 430 OG1 THR A 31 -0.789 0.616 -13.367 1.00 0.00 O ATOM 431 CG2 THR A 31 -0.515 -1.457 -14.399 1.00 0.00 C ATOM 0 H THR A 31 -2.495 -0.411 -12.160 1.00 0.00 H new ATOM 0 HA THR A 31 -0.087 -2.128 -11.714 1.00 0.00 H new ATOM 0 HB THR A 31 1.021 -0.539 -13.200 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.530 1.044 -14.210 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.140 -1.019 -15.324 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.121 -2.467 -14.290 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.604 -1.494 -14.430 1.00 0.00 H new ATOM 439 N ASP A 32 1.020 -0.615 -10.133 1.00 0.00 N ATOM 440 CA ASP A 32 1.535 0.114 -8.987 1.00 0.00 C ATOM 441 C ASP A 32 1.244 1.606 -9.165 1.00 0.00 C ATOM 442 O ASP A 32 0.890 2.292 -8.207 1.00 0.00 O ATOM 443 CB ASP A 32 3.049 -0.060 -8.858 1.00 0.00 C ATOM 444 CG ASP A 32 3.882 0.792 -9.818 1.00 0.00 C ATOM 445 OD1 ASP A 32 3.682 0.629 -11.041 1.00 0.00 O ATOM 446 OD2 ASP A 32 4.700 1.587 -9.307 1.00 0.00 O ATOM 0 H ASP A 32 1.625 -1.364 -10.469 1.00 0.00 H new ATOM 0 HA ASP A 32 1.050 -0.277 -8.093 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.341 0.180 -7.836 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.294 -1.109 -9.021 1.00 0.00 H new ATOM 451 N GLN A 33 1.405 2.065 -10.397 1.00 0.00 N ATOM 452 CA GLN A 33 1.165 3.463 -10.713 1.00 0.00 C ATOM 453 C GLN A 33 -0.253 3.863 -10.300 1.00 0.00 C ATOM 454 O GLN A 33 -0.436 4.797 -9.520 1.00 0.00 O ATOM 455 CB GLN A 33 1.402 3.738 -12.199 1.00 0.00 C ATOM 456 CG GLN A 33 1.351 5.238 -12.494 1.00 0.00 C ATOM 457 CD GLN A 33 2.176 5.581 -13.736 1.00 0.00 C ATOM 458 OE1 GLN A 33 2.407 4.757 -14.606 1.00 0.00 O ATOM 459 NE2 GLN A 33 2.604 6.840 -13.771 1.00 0.00 N ATOM 0 H GLN A 33 1.699 1.493 -11.189 1.00 0.00 H new ATOM 0 HA GLN A 33 1.872 4.070 -10.148 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.371 3.338 -12.496 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.648 3.221 -12.793 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.317 5.548 -12.643 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.730 5.794 -11.636 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.375 7.478 -13.009 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.162 7.167 -14.560 1.00 0.00 H new ATOM 468 N VAL A 34 -1.220 3.138 -10.842 1.00 0.00 N ATOM 469 CA VAL A 34 -2.616 3.406 -10.539 1.00 0.00 C ATOM 470 C VAL A 34 -2.774 3.623 -9.033 1.00 0.00 C ATOM 471 O VAL A 34 -3.073 4.731 -8.590 1.00 0.00 O ATOM 472 CB VAL A 34 -3.494 2.274 -11.076 1.00 0.00 C ATOM 473 CG1 VAL A 34 -4.944 2.438 -10.614 1.00 0.00 C ATOM 474 CG2 VAL A 34 -3.412 2.192 -12.601 1.00 0.00 C ATOM 0 H VAL A 34 -1.065 2.365 -11.489 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.946 4.319 -11.035 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.116 1.336 -10.669 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.547 1.620 -11.010 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.983 2.423 -9.525 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.337 3.387 -10.978 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.045 1.379 -12.956 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.751 3.133 -13.035 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.381 2.006 -12.900 1.00 0.00 H new ATOM 484 N ILE A 35 -2.567 2.548 -8.288 1.00 0.00 N ATOM 485 CA ILE A 35 -2.683 2.607 -6.840 1.00 0.00 C ATOM 486 C ILE A 35 -1.909 3.819 -6.320 1.00 0.00 C ATOM 487 O ILE A 35 -2.220 4.348 -5.254 1.00 0.00 O ATOM 488 CB ILE A 35 -2.246 1.281 -6.213 1.00 0.00 C ATOM 489 CG1 ILE A 35 -3.139 0.131 -6.682 1.00 0.00 C ATOM 490 CG2 ILE A 35 -2.199 1.386 -4.688 1.00 0.00 C ATOM 491 CD1 ILE A 35 -2.352 -1.178 -6.760 1.00 0.00 C ATOM 0 H ILE A 35 -2.320 1.631 -8.659 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.724 2.744 -6.546 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.234 1.060 -6.552 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.978 0.015 -5.996 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.557 0.367 -7.660 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.886 0.431 -4.267 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.489 2.161 -4.398 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.189 1.642 -4.310 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.011 -1.979 -7.096 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.528 -1.066 -7.465 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.956 -1.423 -5.775 1.00 0.00 H new ATOM 503 N GLN A 36 -0.914 4.223 -7.096 1.00 0.00 N ATOM 504 CA GLN A 36 -0.092 5.363 -6.727 1.00 0.00 C ATOM 505 C GLN A 36 -0.885 6.662 -6.886 1.00 0.00 C ATOM 506 O GLN A 36 -0.980 7.454 -5.949 1.00 0.00 O ATOM 507 CB GLN A 36 1.195 5.402 -7.552 1.00 0.00 C ATOM 508 CG GLN A 36 2.397 5.765 -6.678 1.00 0.00 C ATOM 509 CD GLN A 36 3.679 5.838 -7.511 1.00 0.00 C ATOM 510 OE1 GLN A 36 3.788 5.264 -8.581 1.00 0.00 O ATOM 511 NE2 GLN A 36 4.639 6.575 -6.960 1.00 0.00 N ATOM 0 H GLN A 36 -0.658 3.781 -7.979 1.00 0.00 H new ATOM 0 HA GLN A 36 0.191 5.258 -5.680 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.361 4.431 -8.019 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.093 6.130 -8.357 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.221 6.724 -6.191 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.514 5.023 -5.888 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.481 7.029 -6.060 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.534 6.687 -7.437 1.00 0.00 H new ATOM 520 N ASN A 37 -1.433 6.841 -8.078 1.00 0.00 N ATOM 521 CA ASN A 37 -2.214 8.031 -8.372 1.00 0.00 C ATOM 522 C ASN A 37 -3.511 7.997 -7.560 1.00 0.00 C ATOM 523 O ASN A 37 -4.164 9.025 -7.384 1.00 0.00 O ATOM 524 CB ASN A 37 -2.586 8.094 -9.855 1.00 0.00 C ATOM 525 CG ASN A 37 -1.988 9.336 -10.518 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.217 10.462 -10.107 1.00 0.00 O ATOM 527 ND2 ASN A 37 -1.211 9.070 -11.564 1.00 0.00 N ATOM 0 H ASN A 37 -1.352 6.182 -8.852 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.612 8.902 -8.115 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.227 7.198 -10.362 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.671 8.107 -9.961 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.765 9.832 -12.075 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.061 8.104 -11.855 1.00 0.00 H new ATOM 534 N GLU A 38 -3.846 6.805 -7.088 1.00 0.00 N ATOM 535 CA GLU A 38 -5.053 6.625 -6.300 1.00 0.00 C ATOM 536 C GLU A 38 -4.750 6.823 -4.813 1.00 0.00 C ATOM 537 O GLU A 38 -5.434 7.587 -4.134 1.00 0.00 O ATOM 538 CB GLU A 38 -5.673 5.249 -6.554 1.00 0.00 C ATOM 539 CG GLU A 38 -6.086 5.096 -8.020 1.00 0.00 C ATOM 540 CD GLU A 38 -7.252 6.026 -8.360 1.00 0.00 C ATOM 541 OE1 GLU A 38 -8.073 6.264 -7.448 1.00 0.00 O ATOM 542 OE2 GLU A 38 -7.297 6.477 -9.525 1.00 0.00 O ATOM 0 H GLU A 38 -3.302 5.955 -7.236 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.780 7.377 -6.607 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.958 4.470 -6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.543 5.114 -5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.237 5.320 -8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.371 4.062 -8.215 1.00 0.00 H new ATOM 549 N MET A 39 -3.724 6.123 -4.352 1.00 0.00 N ATOM 550 CA MET A 39 -3.323 6.212 -2.958 1.00 0.00 C ATOM 551 C MET A 39 -1.811 6.412 -2.835 1.00 0.00 C ATOM 552 O MET A 39 -1.099 5.519 -2.378 1.00 0.00 O ATOM 553 CB MET A 39 -3.731 4.933 -2.226 1.00 0.00 C ATOM 554 CG MET A 39 -5.207 4.609 -2.467 1.00 0.00 C ATOM 555 SD MET A 39 -5.370 2.963 -3.136 1.00 0.00 S ATOM 556 CE MET A 39 -4.572 2.023 -1.846 1.00 0.00 C ATOM 0 H MET A 39 -3.158 5.492 -4.919 1.00 0.00 H new ATOM 0 HA MET A 39 -3.822 7.071 -2.510 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.113 4.102 -2.566 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.550 5.048 -1.157 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.762 4.687 -1.532 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.639 5.335 -3.156 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.897 0.984 -1.899 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.491 2.072 -1.976 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.840 2.438 -0.874 1.00 0.00 H new ATOM 566 N PRO A 40 -1.354 7.619 -3.262 1.00 0.00 N ATOM 567 CA PRO A 40 0.060 7.947 -3.204 1.00 0.00 C ATOM 568 C PRO A 40 0.494 8.252 -1.769 1.00 0.00 C ATOM 569 O PRO A 40 1.683 8.404 -1.495 1.00 0.00 O ATOM 570 CB PRO A 40 0.228 9.133 -4.140 1.00 0.00 C ATOM 571 CG PRO A 40 -1.163 9.717 -4.326 1.00 0.00 C ATOM 572 CD PRO A 40 -2.168 8.700 -3.810 1.00 0.00 C ATOM 0 HA PRO A 40 0.697 7.118 -3.514 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.908 9.872 -3.716 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.651 8.820 -5.095 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.258 10.657 -3.783 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.347 9.936 -5.378 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.815 9.134 -3.048 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.815 8.342 -4.611 1.00 0.00 H new ATOM 580 N HIS A 41 -0.495 8.332 -0.891 1.00 0.00 N ATOM 581 CA HIS A 41 -0.230 8.617 0.510 1.00 0.00 C ATOM 582 C HIS A 41 0.158 7.324 1.231 1.00 0.00 C ATOM 583 O HIS A 41 0.333 7.317 2.448 1.00 0.00 O ATOM 584 CB HIS A 41 -1.425 9.320 1.156 1.00 0.00 C ATOM 585 CG HIS A 41 -2.703 8.516 1.125 1.00 0.00 C ATOM 586 ND1 HIS A 41 -3.660 8.668 0.137 1.00 0.00 N ATOM 587 CD2 HIS A 41 -3.170 7.551 1.968 1.00 0.00 C ATOM 588 CE1 HIS A 41 -4.654 7.828 0.385 1.00 0.00 C ATOM 589 NE2 HIS A 41 -4.349 7.137 1.521 1.00 0.00 N ATOM 0 H HIS A 41 -1.480 8.205 -1.122 1.00 0.00 H new ATOM 0 HA HIS A 41 0.611 9.305 0.593 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -1.180 9.553 2.192 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -1.593 10.269 0.647 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -2.666 7.185 2.850 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -5.549 7.711 -0.208 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.931 6.421 1.955 1.00 0.00 H new ATOM 597 N ILE A 42 0.281 6.262 0.449 1.00 0.00 N ATOM 598 CA ILE A 42 0.646 4.967 0.998 1.00 0.00 C ATOM 599 C ILE A 42 2.170 4.831 1.003 1.00 0.00 C ATOM 600 O ILE A 42 2.844 5.328 0.102 1.00 0.00 O ATOM 601 CB ILE A 42 -0.069 3.845 0.243 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.575 4.106 0.170 1.00 0.00 C ATOM 603 CG2 ILE A 42 0.247 2.481 0.860 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.232 3.911 1.538 1.00 0.00 C ATOM 0 H ILE A 42 0.134 6.272 -0.560 1.00 0.00 H new ATOM 0 HA ILE A 42 0.315 4.885 2.033 1.00 0.00 H new ATOM 0 HB ILE A 42 0.305 3.830 -0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.755 5.122 -0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.030 3.431 -0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.274 1.701 0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.321 2.302 0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.081 2.467 1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.302 4.103 1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.071 2.887 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.792 4.604 2.255 1.00 0.00 H new ATOM 616 N GLU A 43 2.668 4.154 2.028 1.00 0.00 N ATOM 617 CA GLU A 43 4.100 3.946 2.162 1.00 0.00 C ATOM 618 C GLU A 43 4.562 2.823 1.232 1.00 0.00 C ATOM 619 O GLU A 43 3.785 1.933 0.893 1.00 0.00 O ATOM 620 CB GLU A 43 4.476 3.646 3.614 1.00 0.00 C ATOM 621 CG GLU A 43 4.588 4.935 4.430 1.00 0.00 C ATOM 622 CD GLU A 43 5.970 5.056 5.077 1.00 0.00 C ATOM 623 OE1 GLU A 43 6.929 5.325 4.321 1.00 0.00 O ATOM 624 OE2 GLU A 43 6.036 4.877 6.312 1.00 0.00 O ATOM 0 H GLU A 43 2.106 3.743 2.773 1.00 0.00 H new ATOM 0 HA GLU A 43 4.610 4.864 1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.726 2.993 4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.424 3.109 3.644 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.408 5.795 3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.819 4.949 5.202 1.00 0.00 H new ATOM 631 N ALA A 44 5.827 2.902 0.845 1.00 0.00 N ATOM 632 CA ALA A 44 6.403 1.904 -0.040 1.00 0.00 C ATOM 633 C ALA A 44 6.187 0.513 0.560 1.00 0.00 C ATOM 634 O ALA A 44 5.902 -0.441 -0.163 1.00 0.00 O ATOM 635 CB ALA A 44 7.883 2.217 -0.269 1.00 0.00 C ATOM 0 H ALA A 44 6.469 3.642 1.128 1.00 0.00 H new ATOM 0 HA ALA A 44 5.912 1.924 -1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.315 1.468 -0.933 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.980 3.203 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.410 2.203 0.685 1.00 0.00 H new ATOM 641 N GLN A 45 6.333 0.441 1.875 1.00 0.00 N ATOM 642 CA GLN A 45 6.158 -0.817 2.580 1.00 0.00 C ATOM 643 C GLN A 45 4.669 -1.130 2.745 1.00 0.00 C ATOM 644 O GLN A 45 4.240 -2.261 2.521 1.00 0.00 O ATOM 645 CB GLN A 45 6.866 -0.790 3.935 1.00 0.00 C ATOM 646 CG GLN A 45 8.180 -1.571 3.883 1.00 0.00 C ATOM 647 CD GLN A 45 9.146 -1.093 4.969 1.00 0.00 C ATOM 648 OE1 GLN A 45 8.962 -1.336 6.150 1.00 0.00 O ATOM 649 NE2 GLN A 45 10.183 -0.402 4.504 1.00 0.00 N ATOM 0 H GLN A 45 6.571 1.234 2.471 1.00 0.00 H new ATOM 0 HA GLN A 45 6.613 -1.610 1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.063 0.242 4.226 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.215 -1.217 4.698 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.980 -2.635 4.012 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.641 -1.450 2.903 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.276 -0.235 3.502 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.885 -0.040 5.149 1.00 0.00 H new ATOM 658 N GLN A 46 3.922 -0.108 3.136 1.00 0.00 N ATOM 659 CA GLN A 46 2.491 -0.260 3.335 1.00 0.00 C ATOM 660 C GLN A 46 1.819 -0.706 2.034 1.00 0.00 C ATOM 661 O GLN A 46 0.915 -1.539 2.052 1.00 0.00 O ATOM 662 CB GLN A 46 1.869 1.037 3.857 1.00 0.00 C ATOM 663 CG GLN A 46 2.194 1.243 5.337 1.00 0.00 C ATOM 664 CD GLN A 46 0.984 0.916 6.215 1.00 0.00 C ATOM 665 OE1 GLN A 46 0.830 -0.381 6.463 1.00 0.00 O flip ATOM 666 NE2 GLN A 46 0.239 1.785 6.639 1.00 0.00 N flip ATOM 0 H GLN A 46 4.281 0.829 3.320 1.00 0.00 H new ATOM 0 HA GLN A 46 2.328 -1.031 4.088 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.242 1.882 3.278 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.788 1.008 3.719 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.035 0.610 5.620 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.502 2.275 5.505 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.415 2.763 6.411 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.559 1.533 7.222 1.00 0.00 H new ATOM 675 N ARG A 47 2.287 -0.130 0.936 1.00 0.00 N ATOM 676 CA ARG A 47 1.743 -0.457 -0.370 1.00 0.00 C ATOM 677 C ARG A 47 1.965 -1.939 -0.682 1.00 0.00 C ATOM 678 O ARG A 47 1.101 -2.591 -1.265 1.00 0.00 O ATOM 679 CB ARG A 47 2.393 0.390 -1.466 1.00 0.00 C ATOM 680 CG ARG A 47 1.419 1.446 -1.993 1.00 0.00 C ATOM 681 CD ARG A 47 1.691 1.755 -3.467 1.00 0.00 C ATOM 682 NE ARG A 47 2.594 2.922 -3.580 1.00 0.00 N ATOM 683 CZ ARG A 47 3.931 2.844 -3.539 1.00 0.00 C ATOM 684 NH1 ARG A 47 4.528 1.654 -3.386 1.00 0.00 N ATOM 685 NH2 ARG A 47 4.671 3.956 -3.650 1.00 0.00 N ATOM 0 H ARG A 47 3.037 0.561 0.925 1.00 0.00 H new ATOM 0 HA ARG A 47 0.675 -0.243 -0.347 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.285 0.877 -1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.715 -0.253 -2.285 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.395 1.093 -1.875 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.512 2.358 -1.403 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.140 0.888 -3.952 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.753 1.959 -3.984 1.00 0.00 H new ATOM 0 HE ARG A 47 2.172 3.843 -3.696 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.965 0.808 -3.301 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.546 1.594 -3.355 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.216 4.862 -3.766 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.689 3.897 -3.619 1.00 0.00 H new ATOM 699 N ALA A 48 3.129 -2.427 -0.279 1.00 0.00 N ATOM 700 CA ALA A 48 3.476 -3.819 -0.508 1.00 0.00 C ATOM 701 C ALA A 48 2.729 -4.699 0.497 1.00 0.00 C ATOM 702 O ALA A 48 2.067 -5.661 0.113 1.00 0.00 O ATOM 703 CB ALA A 48 4.994 -3.989 -0.417 1.00 0.00 C ATOM 0 H ALA A 48 3.844 -1.883 0.205 1.00 0.00 H new ATOM 0 HA ALA A 48 3.173 -4.130 -1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.254 -5.033 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.476 -3.366 -1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.335 -3.688 0.574 1.00 0.00 H new ATOM 709 N VAL A 49 2.861 -4.336 1.764 1.00 0.00 N ATOM 710 CA VAL A 49 2.207 -5.079 2.827 1.00 0.00 C ATOM 711 C VAL A 49 0.783 -5.434 2.395 1.00 0.00 C ATOM 712 O VAL A 49 0.469 -6.603 2.179 1.00 0.00 O ATOM 713 CB VAL A 49 2.254 -4.280 4.131 1.00 0.00 C ATOM 714 CG1 VAL A 49 1.112 -4.685 5.065 1.00 0.00 C ATOM 715 CG2 VAL A 49 3.610 -4.438 4.822 1.00 0.00 C ATOM 0 H VAL A 49 3.411 -3.537 2.078 1.00 0.00 H new ATOM 0 HA VAL A 49 2.732 -6.015 3.016 1.00 0.00 H new ATOM 0 HB VAL A 49 2.125 -3.227 3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.169 -4.102 5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.157 -4.497 4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.195 -5.746 5.303 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.617 -3.860 5.746 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.782 -5.490 5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.399 -4.077 4.162 1.00 0.00 H new ATOM 725 N ALA A 50 -0.041 -4.402 2.281 1.00 0.00 N ATOM 726 CA ALA A 50 -1.424 -4.590 1.878 1.00 0.00 C ATOM 727 C ALA A 50 -1.476 -5.532 0.673 1.00 0.00 C ATOM 728 O ALA A 50 -2.266 -6.475 0.652 1.00 0.00 O ATOM 729 CB ALA A 50 -2.059 -3.229 1.582 1.00 0.00 C ATOM 0 H ALA A 50 0.223 -3.433 2.461 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.999 -5.050 2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.097 -3.370 1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.023 -2.608 2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.510 -2.739 0.778 1.00 0.00 H new ATOM 735 N ILE A 51 -0.625 -5.244 -0.300 1.00 0.00 N ATOM 736 CA ILE A 51 -0.564 -6.054 -1.505 1.00 0.00 C ATOM 737 C ILE A 51 -0.315 -7.513 -1.121 1.00 0.00 C ATOM 738 O ILE A 51 -1.144 -8.380 -1.390 1.00 0.00 O ATOM 739 CB ILE A 51 0.471 -5.488 -2.479 1.00 0.00 C ATOM 740 CG1 ILE A 51 -0.077 -4.260 -3.210 1.00 0.00 C ATOM 741 CG2 ILE A 51 0.955 -6.565 -3.452 1.00 0.00 C ATOM 742 CD1 ILE A 51 1.047 -3.489 -3.904 1.00 0.00 C ATOM 0 H ILE A 51 0.028 -4.461 -0.279 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.516 -6.022 -2.035 1.00 0.00 H new ATOM 0 HB ILE A 51 1.337 -5.160 -1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.818 -4.571 -3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.587 -3.608 -2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.690 -6.136 -4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.412 -7.382 -2.893 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.109 -6.945 -4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.631 -2.621 -4.416 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.774 -3.158 -3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.539 -4.137 -4.630 1.00 0.00 H new ATOM 754 N ASN A 52 0.833 -7.740 -0.498 1.00 0.00 N ATOM 755 CA ASN A 52 1.202 -9.080 -0.075 1.00 0.00 C ATOM 756 C ASN A 52 0.015 -9.731 0.637 1.00 0.00 C ATOM 757 O ASN A 52 -0.422 -10.816 0.257 1.00 0.00 O ATOM 758 CB ASN A 52 2.378 -9.044 0.903 1.00 0.00 C ATOM 759 CG ASN A 52 3.315 -10.232 0.679 1.00 0.00 C ATOM 760 OD1 ASN A 52 2.936 -11.262 0.146 1.00 0.00 O ATOM 761 ND2 ASN A 52 4.556 -10.032 1.114 1.00 0.00 N ATOM 0 H ASN A 52 1.519 -7.018 -0.276 1.00 0.00 H new ATOM 0 HA ASN A 52 1.487 -9.647 -0.961 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.930 -8.112 0.779 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.004 -9.059 1.927 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.257 -10.765 1.010 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.806 -9.145 1.551 1.00 0.00 H new ATOM 768 N ARG A 53 -0.474 -9.041 1.657 1.00 0.00 N ATOM 769 CA ARG A 53 -1.602 -9.538 2.425 1.00 0.00 C ATOM 770 C ARG A 53 -2.706 -10.032 1.488 1.00 0.00 C ATOM 771 O ARG A 53 -3.098 -11.196 1.544 1.00 0.00 O ATOM 772 CB ARG A 53 -2.168 -8.450 3.340 1.00 0.00 C ATOM 773 CG ARG A 53 -1.839 -8.740 4.806 1.00 0.00 C ATOM 774 CD ARG A 53 -0.586 -7.982 5.248 1.00 0.00 C ATOM 775 NE ARG A 53 0.611 -8.832 5.062 1.00 0.00 N ATOM 776 CZ ARG A 53 1.793 -8.603 5.651 1.00 0.00 C ATOM 777 NH1 ARG A 53 1.943 -7.550 6.467 1.00 0.00 N ATOM 778 NH2 ARG A 53 2.825 -9.428 5.425 1.00 0.00 N ATOM 0 H ARG A 53 -0.109 -8.141 1.969 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.246 -10.365 3.040 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.757 -7.481 3.056 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.249 -8.388 3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.682 -8.454 5.435 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.688 -9.811 4.943 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.484 -7.064 4.670 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.677 -7.691 6.295 1.00 0.00 H new ATOM 0 HE ARG A 53 0.532 -9.642 4.448 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.157 -6.923 6.640 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.843 -7.376 6.915 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.711 -10.230 4.805 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.725 -9.254 5.873 1.00 0.00 H new ATOM 792 N LEU A 54 -3.176 -9.121 0.648 1.00 0.00 N ATOM 793 CA LEU A 54 -4.227 -9.450 -0.300 1.00 0.00 C ATOM 794 C LEU A 54 -3.804 -10.669 -1.122 1.00 0.00 C ATOM 795 O LEU A 54 -4.586 -11.601 -1.303 1.00 0.00 O ATOM 796 CB LEU A 54 -4.583 -8.228 -1.150 1.00 0.00 C ATOM 797 CG LEU A 54 -5.117 -7.013 -0.388 1.00 0.00 C ATOM 798 CD1 LEU A 54 -5.168 -5.779 -1.291 1.00 0.00 C ATOM 799 CD2 LEU A 54 -6.476 -7.317 0.245 1.00 0.00 C ATOM 0 H LEU A 54 -2.848 -8.156 0.604 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.142 -9.722 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.694 -7.923 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.329 -8.527 -1.886 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.426 -6.789 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.551 -4.930 -0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.165 -5.551 -1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.824 -5.976 -2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.833 -6.437 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.190 -7.581 -0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.375 -8.149 0.941 1.00 0.00 H new ATOM 811 N LEU A 55 -2.569 -10.622 -1.598 1.00 0.00 N ATOM 812 CA LEU A 55 -2.032 -11.711 -2.396 1.00 0.00 C ATOM 813 C LEU A 55 -2.230 -13.031 -1.648 1.00 0.00 C ATOM 814 O LEU A 55 -2.773 -13.986 -2.201 1.00 0.00 O ATOM 815 CB LEU A 55 -0.577 -11.431 -2.775 1.00 0.00 C ATOM 816 CG LEU A 55 -0.349 -10.278 -3.755 1.00 0.00 C ATOM 817 CD1 LEU A 55 1.145 -10.022 -3.964 1.00 0.00 C ATOM 818 CD2 LEU A 55 -1.077 -10.530 -5.077 1.00 0.00 C ATOM 0 H LEU A 55 -1.924 -9.846 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.572 -11.794 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.018 -11.222 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.154 -12.338 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.773 -9.373 -3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.278 -9.198 -4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.607 -9.766 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.615 -10.920 -4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.899 -9.696 -5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.705 -11.450 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.147 -10.624 -4.891 1.00 0.00 H new ATOM 830 N SER A 56 -1.778 -13.042 -0.403 1.00 0.00 N ATOM 831 CA SER A 56 -1.899 -14.229 0.426 1.00 0.00 C ATOM 832 C SER A 56 -3.370 -14.496 0.747 1.00 0.00 C ATOM 833 O SER A 56 -3.907 -15.544 0.391 1.00 0.00 O ATOM 834 CB SER A 56 -1.091 -14.083 1.718 1.00 0.00 C ATOM 835 OG SER A 56 -0.486 -15.312 2.110 1.00 0.00 O ATOM 0 H SER A 56 -1.327 -12.248 0.052 1.00 0.00 H new ATOM 0 HA SER A 56 -1.496 -15.076 -0.129 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.319 -13.327 1.579 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.744 -13.729 2.516 1.00 0.00 H new ATOM 0 HG SER A 56 0.022 -15.177 2.937 1.00 0.00 H new ATOM 841 N MET A 57 -3.981 -13.530 1.418 1.00 0.00 N ATOM 842 CA MET A 57 -5.381 -13.648 1.791 1.00 0.00 C ATOM 843 C MET A 57 -6.187 -14.334 0.686 1.00 0.00 C ATOM 844 O MET A 57 -7.103 -15.104 0.969 1.00 0.00 O ATOM 845 CB MET A 57 -5.958 -12.255 2.055 1.00 0.00 C ATOM 846 CG MET A 57 -5.306 -11.615 3.282 1.00 0.00 C ATOM 847 SD MET A 57 -6.562 -11.097 4.440 1.00 0.00 S ATOM 848 CE MET A 57 -6.121 -9.378 4.626 1.00 0.00 C ATOM 0 H MET A 57 -3.533 -12.663 1.713 1.00 0.00 H new ATOM 0 HA MET A 57 -5.447 -14.256 2.693 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.800 -11.621 1.183 1.00 0.00 H new ATOM 0 HB3 MET A 57 -7.035 -12.326 2.207 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.632 -12.327 3.758 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.704 -10.759 2.979 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.330 -9.057 5.647 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.059 -9.250 4.415 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.704 -8.775 3.930 1.00 0.00 H new ATOM 858 N GLY A 58 -5.817 -14.029 -0.549 1.00 0.00 N ATOM 859 CA GLY A 58 -6.494 -14.607 -1.697 1.00 0.00 C ATOM 860 C GLY A 58 -7.573 -13.662 -2.230 1.00 0.00 C ATOM 861 O GLY A 58 -8.496 -14.093 -2.920 1.00 0.00 O ATOM 0 H GLY A 58 -5.057 -13.389 -0.780 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.769 -14.817 -2.483 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.945 -15.559 -1.416 1.00 0.00 H new ATOM 865 N GLN A 59 -7.422 -12.391 -1.889 1.00 0.00 N ATOM 866 CA GLN A 59 -8.372 -11.381 -2.325 1.00 0.00 C ATOM 867 C GLN A 59 -7.835 -10.641 -3.552 1.00 0.00 C ATOM 868 O GLN A 59 -8.603 -10.053 -4.312 1.00 0.00 O ATOM 869 CB GLN A 59 -8.691 -10.404 -1.192 1.00 0.00 C ATOM 870 CG GLN A 59 -9.245 -11.142 0.029 1.00 0.00 C ATOM 871 CD GLN A 59 -10.664 -10.671 0.357 1.00 0.00 C ATOM 872 OE1 GLN A 59 -11.631 -11.029 -0.296 1.00 0.00 O ATOM 873 NE2 GLN A 59 -10.734 -9.851 1.401 1.00 0.00 N ATOM 0 H GLN A 59 -6.656 -12.037 -1.316 1.00 0.00 H new ATOM 0 HA GLN A 59 -9.300 -11.880 -2.604 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.790 -9.858 -0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.417 -9.667 -1.536 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.249 -12.215 -0.161 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.594 -10.973 0.887 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.885 -9.592 1.904 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.637 -9.481 1.700 1.00 0.00 H new ATOM 882 N LEU A 60 -6.520 -10.694 -3.706 1.00 0.00 N ATOM 883 CA LEU A 60 -5.871 -10.036 -4.828 1.00 0.00 C ATOM 884 C LEU A 60 -5.130 -11.079 -5.666 1.00 0.00 C ATOM 885 O LEU A 60 -4.619 -12.062 -5.131 1.00 0.00 O ATOM 886 CB LEU A 60 -4.979 -8.895 -4.336 1.00 0.00 C ATOM 887 CG LEU A 60 -4.134 -8.196 -5.404 1.00 0.00 C ATOM 888 CD1 LEU A 60 -5.016 -7.643 -6.525 1.00 0.00 C ATOM 889 CD2 LEU A 60 -3.251 -7.113 -4.782 1.00 0.00 C ATOM 0 H LEU A 60 -5.886 -11.182 -3.073 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.612 -9.572 -5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.610 -8.148 -3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.309 -9.288 -3.571 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.469 -8.935 -5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.391 -7.151 -7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.565 -8.460 -6.993 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.722 -6.923 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.661 -6.632 -5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.879 -6.369 -4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.583 -7.565 -4.049 1.00 0.00 H new ATOM 901 N ASP A 61 -5.094 -10.830 -6.967 1.00 0.00 N ATOM 902 CA ASP A 61 -4.423 -11.736 -7.884 1.00 0.00 C ATOM 903 C ASP A 61 -3.258 -11.005 -8.555 1.00 0.00 C ATOM 904 O ASP A 61 -3.439 -9.926 -9.117 1.00 0.00 O ATOM 905 CB ASP A 61 -5.376 -12.213 -8.982 1.00 0.00 C ATOM 906 CG ASP A 61 -5.570 -13.729 -9.055 1.00 0.00 C ATOM 907 OD1 ASP A 61 -5.009 -14.416 -8.174 1.00 0.00 O ATOM 908 OD2 ASP A 61 -6.276 -14.167 -9.989 1.00 0.00 O ATOM 0 H ASP A 61 -5.519 -10.014 -7.408 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.071 -12.595 -7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.348 -11.744 -8.828 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.002 -11.863 -9.944 1.00 0.00 H new ATOM 913 N LEU A 62 -2.089 -11.622 -8.473 1.00 0.00 N ATOM 914 CA LEU A 62 -0.894 -11.044 -9.065 1.00 0.00 C ATOM 915 C LEU A 62 -0.781 -11.498 -10.521 1.00 0.00 C ATOM 916 O LEU A 62 -0.965 -12.676 -10.824 1.00 0.00 O ATOM 917 CB LEU A 62 0.337 -11.375 -8.219 1.00 0.00 C ATOM 918 CG LEU A 62 1.269 -10.204 -7.904 1.00 0.00 C ATOM 919 CD1 LEU A 62 2.581 -10.697 -7.290 1.00 0.00 C ATOM 920 CD2 LEU A 62 1.505 -9.341 -9.145 1.00 0.00 C ATOM 0 H LEU A 62 -1.943 -12.517 -8.006 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.961 -9.956 -9.075 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.000 -11.809 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.913 -12.143 -8.736 1.00 0.00 H new ATOM 0 HG LEU A 62 0.783 -9.572 -7.161 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.225 -9.844 -7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.371 -11.234 -6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.083 -11.364 -7.991 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.171 -8.516 -8.893 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.959 -9.947 -9.929 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.553 -8.944 -9.499 1.00 0.00 H new ATOM 932 N LEU A 63 -0.478 -10.540 -11.385 1.00 0.00 N ATOM 933 CA LEU A 63 -0.338 -10.827 -12.802 1.00 0.00 C ATOM 934 C LEU A 63 0.893 -10.099 -13.346 1.00 0.00 C ATOM 935 O LEU A 63 0.868 -8.883 -13.530 1.00 0.00 O ATOM 936 CB LEU A 63 -1.631 -10.491 -13.547 1.00 0.00 C ATOM 937 CG LEU A 63 -2.286 -11.646 -14.308 1.00 0.00 C ATOM 938 CD1 LEU A 63 -3.812 -11.554 -14.236 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.783 -11.706 -15.752 1.00 0.00 C ATOM 0 H LEU A 63 -0.326 -9.564 -11.130 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.174 -11.893 -12.961 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.351 -10.102 -12.827 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.421 -9.689 -14.254 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.996 -12.580 -13.827 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.253 -12.386 -14.785 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.130 -11.597 -13.194 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.141 -10.613 -14.678 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.264 -12.535 -16.271 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.023 -10.772 -16.260 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.703 -11.853 -15.755 1.00 0.00 H new ATOM 951 N ARG A 64 1.940 -10.873 -13.589 1.00 0.00 N ATOM 952 CA ARG A 64 3.178 -10.317 -14.109 1.00 0.00 C ATOM 953 C ARG A 64 3.060 -10.075 -15.615 1.00 0.00 C ATOM 954 O ARG A 64 3.072 -11.021 -16.402 1.00 0.00 O ATOM 955 CB ARG A 64 4.358 -11.253 -13.840 1.00 0.00 C ATOM 956 CG ARG A 64 4.568 -11.453 -12.338 1.00 0.00 C ATOM 957 CD ARG A 64 3.939 -12.766 -11.866 1.00 0.00 C ATOM 958 NE ARG A 64 4.897 -13.509 -11.017 1.00 0.00 N ATOM 959 CZ ARG A 64 5.891 -14.270 -11.494 1.00 0.00 C ATOM 960 NH1 ARG A 64 6.065 -14.393 -12.817 1.00 0.00 N ATOM 961 NH2 ARG A 64 6.712 -14.907 -10.648 1.00 0.00 N ATOM 0 H ARG A 64 1.957 -11.881 -13.435 1.00 0.00 H new ATOM 0 HA ARG A 64 3.357 -9.371 -13.599 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.179 -12.216 -14.317 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.263 -10.840 -14.286 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.635 -11.455 -12.114 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.129 -10.618 -11.792 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.027 -12.561 -11.306 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.656 -13.373 -12.726 1.00 0.00 H new ATOM 0 HE ARG A 64 4.794 -13.437 -10.005 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.441 -13.907 -13.461 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.822 -14.972 -13.180 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.580 -14.812 -9.641 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.469 -15.486 -11.011 1.00 0.00 H new ATOM 975 N SER A 65 2.948 -8.804 -15.971 1.00 0.00 N ATOM 976 CA SER A 65 2.828 -8.426 -17.369 1.00 0.00 C ATOM 977 C SER A 65 4.192 -7.997 -17.914 1.00 0.00 C ATOM 978 O SER A 65 5.206 -8.121 -17.228 1.00 0.00 O ATOM 979 CB SER A 65 1.807 -7.301 -17.550 1.00 0.00 C ATOM 980 OG SER A 65 2.431 -6.058 -17.860 1.00 0.00 O ATOM 0 H SER A 65 2.938 -8.023 -15.316 1.00 0.00 H new ATOM 0 HA SER A 65 2.476 -9.293 -17.928 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.113 -7.567 -18.347 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.220 -7.194 -16.638 1.00 0.00 H new ATOM 0 HG SER A 65 1.746 -5.366 -17.969 1.00 0.00 H new ATOM 986 N ASN A 66 4.174 -7.501 -19.142 1.00 0.00 N ATOM 987 CA ASN A 66 5.396 -7.053 -19.787 1.00 0.00 C ATOM 988 C ASN A 66 6.257 -6.299 -18.771 1.00 0.00 C ATOM 989 O ASN A 66 7.318 -6.779 -18.374 1.00 0.00 O ATOM 990 CB ASN A 66 5.091 -6.102 -20.946 1.00 0.00 C ATOM 991 CG ASN A 66 5.560 -6.692 -22.278 1.00 0.00 C ATOM 992 OD1 ASN A 66 5.510 -7.889 -22.508 1.00 0.00 O ATOM 993 ND2 ASN A 66 6.016 -5.787 -23.139 1.00 0.00 N ATOM 0 H ASN A 66 3.331 -7.399 -19.708 1.00 0.00 H new ATOM 0 HA ASN A 66 5.917 -7.931 -20.169 1.00 0.00 H new ATOM 0 HB2 ASN A 66 4.020 -5.906 -20.988 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.583 -5.145 -20.775 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.352 -6.080 -24.057 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.030 -4.800 -22.882 1.00 0.00 H new ATOM 1000 N THR A 67 5.768 -5.132 -18.380 1.00 0.00 N ATOM 1001 CA THR A 67 6.479 -4.307 -17.418 1.00 0.00 C ATOM 1002 C THR A 67 6.158 -4.756 -15.990 1.00 0.00 C ATOM 1003 O THR A 67 5.971 -5.945 -15.737 1.00 0.00 O ATOM 1004 CB THR A 67 6.118 -2.845 -17.690 1.00 0.00 C ATOM 1005 OG1 THR A 67 6.916 -2.113 -16.764 1.00 0.00 O ATOM 1006 CG2 THR A 67 4.680 -2.512 -17.289 1.00 0.00 C ATOM 0 H THR A 67 4.888 -4.738 -18.712 1.00 0.00 H new ATOM 0 HA THR A 67 7.558 -4.416 -17.525 1.00 0.00 H new ATOM 0 HB THR A 67 6.258 -2.627 -18.749 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.746 -1.154 -16.872 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.476 -1.463 -17.503 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.990 -3.138 -17.855 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.547 -2.697 -16.223 1.00 0.00 H new ATOM 1014 N GLY A 68 6.105 -3.781 -15.095 1.00 0.00 N ATOM 1015 CA GLY A 68 5.811 -4.060 -13.700 1.00 0.00 C ATOM 1016 C GLY A 68 4.681 -5.085 -13.573 1.00 0.00 C ATOM 1017 O GLY A 68 3.978 -5.362 -14.543 1.00 0.00 O ATOM 0 H GLY A 68 6.261 -2.796 -15.309 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.706 -4.436 -13.204 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.529 -3.138 -13.192 1.00 0.00 H new ATOM 1021 N LEU A 69 4.543 -5.619 -12.368 1.00 0.00 N ATOM 1022 CA LEU A 69 3.511 -6.607 -12.102 1.00 0.00 C ATOM 1023 C LEU A 69 2.146 -5.917 -12.075 1.00 0.00 C ATOM 1024 O LEU A 69 2.067 -4.693 -11.983 1.00 0.00 O ATOM 1025 CB LEU A 69 3.832 -7.385 -10.824 1.00 0.00 C ATOM 1026 CG LEU A 69 5.316 -7.619 -10.536 1.00 0.00 C ATOM 1027 CD1 LEU A 69 5.501 -8.551 -9.337 1.00 0.00 C ATOM 1028 CD2 LEU A 69 6.041 -8.136 -11.780 1.00 0.00 C ATOM 0 H LEU A 69 5.128 -5.386 -11.566 1.00 0.00 H new ATOM 0 HA LEU A 69 3.478 -7.349 -12.900 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.398 -6.851 -9.979 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.336 -8.354 -10.878 1.00 0.00 H new ATOM 0 HG LEU A 69 5.768 -6.662 -10.274 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.565 -8.701 -9.153 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.040 -8.106 -8.455 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.030 -9.511 -9.547 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.094 -8.294 -11.548 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.594 -9.078 -12.096 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.952 -7.404 -12.583 1.00 0.00 H new ATOM 1040 N LEU A 70 1.105 -6.732 -12.159 1.00 0.00 N ATOM 1041 CA LEU A 70 -0.253 -6.215 -12.145 1.00 0.00 C ATOM 1042 C LEU A 70 -1.045 -6.902 -11.031 1.00 0.00 C ATOM 1043 O LEU A 70 -0.677 -7.987 -10.581 1.00 0.00 O ATOM 1044 CB LEU A 70 -0.892 -6.354 -13.529 1.00 0.00 C ATOM 1045 CG LEU A 70 -2.415 -6.208 -13.581 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -2.885 -5.875 -14.999 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -3.104 -7.456 -13.027 1.00 0.00 C ATOM 0 H LEU A 70 1.174 -7.747 -12.237 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.252 -5.148 -11.924 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.452 -5.605 -14.188 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.626 -7.330 -13.934 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.701 -5.372 -12.942 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.971 -5.777 -15.009 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.433 -4.937 -15.321 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.587 -6.674 -15.678 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.185 -7.326 -13.075 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.816 -8.324 -13.620 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.803 -7.608 -11.991 1.00 0.00 H new ATOM 1059 N TYR A 71 -2.116 -6.242 -10.616 1.00 0.00 N ATOM 1060 CA TYR A 71 -2.963 -6.776 -9.563 1.00 0.00 C ATOM 1061 C TYR A 71 -4.443 -6.601 -9.907 1.00 0.00 C ATOM 1062 O TYR A 71 -4.903 -5.483 -10.133 1.00 0.00 O ATOM 1063 CB TYR A 71 -2.643 -5.958 -8.310 1.00 0.00 C ATOM 1064 CG TYR A 71 -1.150 -5.692 -8.105 1.00 0.00 C ATOM 1065 CD1 TYR A 71 -0.274 -6.748 -7.964 1.00 0.00 C ATOM 1066 CD2 TYR A 71 -0.680 -4.395 -8.061 1.00 0.00 C ATOM 1067 CE1 TYR A 71 1.131 -6.498 -7.771 1.00 0.00 C ATOM 1068 CE2 TYR A 71 0.725 -4.144 -7.868 1.00 0.00 C ATOM 1069 CZ TYR A 71 1.561 -5.208 -7.733 1.00 0.00 C ATOM 1070 OH TYR A 71 2.888 -4.972 -7.550 1.00 0.00 O ATOM 0 H TYR A 71 -2.417 -5.342 -10.990 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.779 -7.842 -9.426 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.167 -5.004 -8.368 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.031 -6.483 -7.437 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.642 -7.763 -7.998 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.366 -3.568 -8.171 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.827 -7.316 -7.659 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.106 -3.134 -7.831 1.00 0.00 H new ATOM 0 HH TYR A 71 3.051 -4.006 -7.545 1.00 0.00 H new ATOM 1080 N ARG A 72 -5.148 -7.722 -9.936 1.00 0.00 N ATOM 1081 CA ARG A 72 -6.566 -7.707 -10.249 1.00 0.00 C ATOM 1082 C ARG A 72 -7.352 -8.482 -9.189 1.00 0.00 C ATOM 1083 O ARG A 72 -6.770 -9.018 -8.248 1.00 0.00 O ATOM 1084 CB ARG A 72 -6.834 -8.323 -11.624 1.00 0.00 C ATOM 1085 CG ARG A 72 -7.159 -9.813 -11.503 1.00 0.00 C ATOM 1086 CD ARG A 72 -7.032 -10.514 -12.858 1.00 0.00 C ATOM 1087 NE ARG A 72 -7.626 -11.867 -12.785 1.00 0.00 N ATOM 1088 CZ ARG A 72 -7.404 -12.834 -13.686 1.00 0.00 C ATOM 1089 NH1 ARG A 72 -6.600 -12.603 -14.733 1.00 0.00 N ATOM 1090 NH2 ARG A 72 -7.986 -14.032 -13.540 1.00 0.00 N ATOM 0 H ARG A 72 -4.763 -8.648 -9.748 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.892 -6.667 -10.260 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.664 -7.804 -12.104 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.961 -8.188 -12.263 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.485 -10.279 -10.784 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.171 -9.938 -11.118 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.534 -9.928 -13.628 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.982 -10.583 -13.144 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.243 -12.077 -12.000 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.157 -11.691 -14.844 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.431 -13.339 -15.419 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.598 -14.208 -12.743 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.817 -14.768 -14.226 1.00 0.00 H new ATOM 1104 N ILE A 73 -8.663 -8.516 -9.378 1.00 0.00 N ATOM 1105 CA ILE A 73 -9.535 -9.217 -8.450 1.00 0.00 C ATOM 1106 C ILE A 73 -9.346 -10.725 -8.619 1.00 0.00 C ATOM 1107 O ILE A 73 -9.461 -11.249 -9.726 1.00 0.00 O ATOM 1108 CB ILE A 73 -10.983 -8.755 -8.624 1.00 0.00 C ATOM 1109 CG1 ILE A 73 -11.442 -7.926 -7.422 1.00 0.00 C ATOM 1110 CG2 ILE A 73 -11.909 -9.944 -8.888 1.00 0.00 C ATOM 1111 CD1 ILE A 73 -11.182 -8.671 -6.111 1.00 0.00 C ATOM 0 H ILE A 73 -9.143 -8.070 -10.160 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.269 -8.976 -7.421 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.033 -8.107 -9.499 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.916 -6.971 -7.412 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.505 -7.704 -7.514 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.932 -9.589 -9.008 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.594 -10.456 -9.797 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.862 -10.636 -8.047 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.517 -8.060 -5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.728 -9.614 -6.114 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.115 -8.870 -6.011 1.00 0.00 H new ATOM 1123 N LYS A 74 -9.058 -11.382 -7.505 1.00 0.00 N ATOM 1124 CA LYS A 74 -8.851 -12.820 -7.516 1.00 0.00 C ATOM 1125 C LYS A 74 -10.147 -13.514 -7.942 1.00 0.00 C ATOM 1126 O LYS A 74 -11.239 -13.028 -7.652 1.00 0.00 O ATOM 1127 CB LYS A 74 -8.315 -13.295 -6.164 1.00 0.00 C ATOM 1128 CG LYS A 74 -7.502 -14.582 -6.318 1.00 0.00 C ATOM 1129 CD LYS A 74 -6.347 -14.624 -5.314 1.00 0.00 C ATOM 1130 CE LYS A 74 -5.933 -16.066 -5.015 1.00 0.00 C ATOM 1131 NZ LYS A 74 -4.550 -16.315 -5.479 1.00 0.00 N ATOM 0 H LYS A 74 -8.963 -10.945 -6.588 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.089 -13.089 -8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.692 -12.517 -5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.146 -13.465 -5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.150 -15.446 -6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.109 -14.649 -7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.495 -14.072 -5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.645 -14.128 -4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.003 -16.256 -3.944 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.618 -16.757 -5.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.409 -17.336 -5.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.390 -15.817 -6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.877 -15.968 -4.766 1.00 0.00 H new ATOM 1145 N ASP A 75 -9.982 -14.638 -8.623 1.00 0.00 N ATOM 1146 CA ASP A 75 -11.125 -15.403 -9.092 1.00 0.00 C ATOM 1147 C ASP A 75 -10.638 -16.725 -9.688 1.00 0.00 C ATOM 1148 O ASP A 75 -9.580 -16.776 -10.313 1.00 0.00 O ATOM 1149 CB ASP A 75 -11.887 -14.645 -10.181 1.00 0.00 C ATOM 1150 CG ASP A 75 -13.394 -14.902 -10.214 1.00 0.00 C ATOM 1151 OD1 ASP A 75 -13.794 -15.994 -9.755 1.00 0.00 O ATOM 1152 OD2 ASP A 75 -14.113 -14.001 -10.699 1.00 0.00 O ATOM 0 H ASP A 75 -9.074 -15.038 -8.861 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.787 -15.575 -8.243 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.719 -13.577 -10.044 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -11.467 -14.912 -11.151 1.00 0.00 H new ATOM 1157 N SER A 76 -11.434 -17.763 -9.474 1.00 0.00 N ATOM 1158 CA SER A 76 -11.098 -19.081 -9.983 1.00 0.00 C ATOM 1159 C SER A 76 -12.281 -20.033 -9.795 1.00 0.00 C ATOM 1160 O SER A 76 -12.714 -20.686 -10.743 1.00 0.00 O ATOM 1161 CB SER A 76 -9.853 -19.639 -9.289 1.00 0.00 C ATOM 1162 OG SER A 76 -9.907 -19.464 -7.876 1.00 0.00 O ATOM 0 H SER A 76 -12.311 -17.717 -8.955 1.00 0.00 H new ATOM 0 HA SER A 76 -10.879 -18.990 -11.047 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.754 -20.700 -9.520 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.966 -19.143 -9.682 1.00 0.00 H new ATOM 0 HG SER A 76 -9.096 -19.834 -7.469 1.00 0.00 H new ATOM 1168 N GLY A 77 -12.771 -20.080 -8.565 1.00 0.00 N ATOM 1169 CA GLY A 77 -13.896 -20.941 -8.240 1.00 0.00 C ATOM 1170 C GLY A 77 -14.524 -20.541 -6.903 1.00 0.00 C ATOM 1171 O GLY A 77 -13.860 -19.951 -6.053 1.00 0.00 O ATOM 0 H GLY A 77 -12.410 -19.536 -7.781 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.645 -20.881 -9.030 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.564 -21.978 -8.194 1.00 0.00 H new ATOM 1175 N PRO A 78 -15.832 -20.886 -6.757 1.00 0.00 N ATOM 1176 CA PRO A 78 -16.557 -20.570 -5.538 1.00 0.00 C ATOM 1177 C PRO A 78 -16.146 -21.503 -4.397 1.00 0.00 C ATOM 1178 O PRO A 78 -16.087 -22.719 -4.576 1.00 0.00 O ATOM 1179 CB PRO A 78 -18.025 -20.697 -5.910 1.00 0.00 C ATOM 1180 CG PRO A 78 -18.062 -21.527 -7.183 1.00 0.00 C ATOM 1181 CD PRO A 78 -16.650 -21.585 -7.743 1.00 0.00 C ATOM 0 HA PRO A 78 -16.339 -19.569 -5.166 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -18.590 -21.180 -5.112 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -18.474 -19.717 -6.070 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -18.431 -22.531 -6.973 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -18.743 -21.082 -7.909 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -16.318 -22.615 -7.875 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -16.591 -21.104 -8.719 1.00 0.00 H new ATOM 1189 N SER A 79 -15.873 -20.898 -3.250 1.00 0.00 N ATOM 1190 CA SER A 79 -15.470 -21.660 -2.081 1.00 0.00 C ATOM 1191 C SER A 79 -16.560 -21.590 -1.009 1.00 0.00 C ATOM 1192 O SER A 79 -16.576 -20.668 -0.195 1.00 0.00 O ATOM 1193 CB SER A 79 -14.141 -21.148 -1.521 1.00 0.00 C ATOM 1194 OG SER A 79 -13.143 -22.164 -1.500 1.00 0.00 O ATOM 0 H SER A 79 -15.923 -19.889 -3.106 1.00 0.00 H new ATOM 0 HA SER A 79 -15.331 -22.699 -2.381 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.792 -20.310 -2.125 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.295 -20.770 -0.510 1.00 0.00 H new ATOM 0 HG SER A 79 -12.310 -21.797 -1.138 1.00 0.00 H new ATOM 1200 N SER A 80 -17.444 -22.576 -1.044 1.00 0.00 N ATOM 1201 CA SER A 80 -18.534 -22.638 -0.086 1.00 0.00 C ATOM 1202 C SER A 80 -18.790 -24.090 0.323 1.00 0.00 C ATOM 1203 O SER A 80 -19.442 -24.838 -0.403 1.00 0.00 O ATOM 1204 CB SER A 80 -19.808 -22.017 -0.661 1.00 0.00 C ATOM 1205 OG SER A 80 -20.180 -22.612 -1.901 1.00 0.00 O ATOM 0 H SER A 80 -17.427 -23.339 -1.721 1.00 0.00 H new ATOM 0 HA SER A 80 -18.247 -22.064 0.795 1.00 0.00 H new ATOM 0 HB2 SER A 80 -20.622 -22.132 0.055 1.00 0.00 H new ATOM 0 HB3 SER A 80 -19.657 -20.947 -0.803 1.00 0.00 H new ATOM 0 HG SER A 80 -20.064 -23.584 -1.846 1.00 0.00 H new ATOM 1211 N GLY A 81 -18.262 -24.446 1.485 1.00 0.00 N ATOM 1212 CA GLY A 81 -18.425 -25.795 2.000 1.00 0.00 C ATOM 1213 C GLY A 81 -19.872 -26.048 2.426 1.00 0.00 C ATOM 1214 O GLY A 81 -20.305 -27.196 2.513 1.00 0.00 O ATOM 0 H GLY A 81 -17.721 -23.823 2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -18.135 -26.517 1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.760 -25.946 2.850 1.00 0.00 H new TER 1218 GLY A 81