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 2:sc= 0.503! USER MOD Single : A 5 SER OG : rot 31:sc= 0.69 USER MOD Single : A 6 SER OG : rot 45:sc= 0.487 USER MOD Single : A 17 ASN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 23 CYS SG : rot 58:sc= -6.6! USER MOD Single : A 24 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.41) USER MOD Single : A 25 GLN : amide:sc= -1.44! C(o=-1.4!,f=-4.2!) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0306 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 36 GLN : amide:sc= -0.031 K(o=-0.031,f=-0.96) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl 160:sc= -1.05 (180deg=-1.84) USER MOD Single : A 41 HIS : no HD1:sc= -0.0414 X(o=-0.041,f=-0.37) USER MOD Single : A 45 GLN : amide:sc= -0.0264 K(o=-0.026,f=-1.1) USER MOD Single : A 46 GLN : amide:sc= -0.104 K(o=-0.1,f=-2.3!) USER MOD Single : A 52 ASN : amide:sc= -0.0331 K(o=-0.033,f=-0.59) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -145:sc= -1.96 (180deg=-3.57!) 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= -0.0197 K(o=-0.02,f=-0.53) 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 14.922 15.158 -3.319 1.00 0.00 N ATOM 2 CA GLY A 1 14.814 14.553 -2.002 1.00 0.00 C ATOM 3 C GLY A 1 14.800 15.622 -0.908 1.00 0.00 C ATOM 4 O GLY A 1 15.847 15.983 -0.374 1.00 0.00 O ATOM 0 H1 GLY A 1 14.929 14.412 -4.044 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.110 15.788 -3.479 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.803 15.707 -3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.903 13.957 -1.945 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.650 13.873 -1.840 1.00 0.00 H new ATOM 8 N SER A 2 13.601 16.098 -0.606 1.00 0.00 N ATOM 9 CA SER A 2 13.436 17.118 0.416 1.00 0.00 C ATOM 10 C SER A 2 12.668 16.545 1.608 1.00 0.00 C ATOM 11 O SER A 2 11.756 15.738 1.435 1.00 0.00 O ATOM 12 CB SER A 2 12.711 18.344 -0.143 1.00 0.00 C ATOM 13 OG SER A 2 13.508 19.051 -1.089 1.00 0.00 O ATOM 0 H SER A 2 12.734 15.796 -1.051 1.00 0.00 H new ATOM 0 HA SER A 2 14.425 17.434 0.748 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.780 18.030 -0.616 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.443 19.011 0.676 1.00 0.00 H new ATOM 0 HG SER A 2 13.009 19.825 -1.423 1.00 0.00 H new ATOM 19 N SER A 3 13.065 16.985 2.794 1.00 0.00 N ATOM 20 CA SER A 3 12.425 16.526 4.015 1.00 0.00 C ATOM 21 C SER A 3 10.906 16.504 3.834 1.00 0.00 C ATOM 22 O SER A 3 10.294 17.536 3.563 1.00 0.00 O ATOM 23 CB SER A 3 12.805 17.413 5.202 1.00 0.00 C ATOM 24 OG SER A 3 12.052 18.623 5.228 1.00 0.00 O ATOM 0 H SER A 3 13.822 17.654 2.935 1.00 0.00 H new ATOM 0 HA SER A 3 12.774 15.515 4.225 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.643 16.865 6.130 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.868 17.649 5.153 1.00 0.00 H new ATOM 0 HG SER A 3 11.410 18.625 4.487 1.00 0.00 H new ATOM 30 N GLY A 4 10.341 15.315 3.990 1.00 0.00 N ATOM 31 CA GLY A 4 8.905 15.145 3.847 1.00 0.00 C ATOM 32 C GLY A 4 8.433 13.867 4.544 1.00 0.00 C ATOM 33 O GLY A 4 9.243 13.008 4.888 1.00 0.00 O ATOM 0 H GLY A 4 10.852 14.461 4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.389 16.007 4.271 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.643 15.105 2.790 1.00 0.00 H new ATOM 37 N SER A 5 7.124 13.783 4.731 1.00 0.00 N ATOM 38 CA SER A 5 6.534 12.625 5.380 1.00 0.00 C ATOM 39 C SER A 5 5.045 12.535 5.039 1.00 0.00 C ATOM 40 O SER A 5 4.281 13.453 5.333 1.00 0.00 O ATOM 41 CB SER A 5 6.728 12.685 6.896 1.00 0.00 C ATOM 42 OG SER A 5 7.982 12.139 7.296 1.00 0.00 O ATOM 0 H SER A 5 6.456 14.498 4.444 1.00 0.00 H new ATOM 0 HA SER A 5 7.039 11.732 5.011 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.661 13.721 7.229 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.922 12.139 7.386 1.00 0.00 H new ATOM 0 HG SER A 5 8.645 12.292 6.591 1.00 0.00 H new ATOM 48 N SER A 6 4.678 11.422 4.422 1.00 0.00 N ATOM 49 CA SER A 6 3.294 11.200 4.037 1.00 0.00 C ATOM 50 C SER A 6 2.877 9.770 4.385 1.00 0.00 C ATOM 51 O SER A 6 2.843 8.901 3.516 1.00 0.00 O ATOM 52 CB SER A 6 3.089 11.465 2.545 1.00 0.00 C ATOM 53 OG SER A 6 3.948 10.665 1.737 1.00 0.00 O ATOM 0 H SER A 6 5.315 10.663 4.179 1.00 0.00 H new ATOM 0 HA SER A 6 2.668 11.899 4.592 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.051 11.263 2.280 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.272 12.519 2.336 1.00 0.00 H new ATOM 0 HG SER A 6 3.942 9.742 2.067 1.00 0.00 H new ATOM 59 N GLY A 7 2.569 9.571 5.658 1.00 0.00 N ATOM 60 CA GLY A 7 2.155 8.261 6.132 1.00 0.00 C ATOM 61 C GLY A 7 2.511 8.074 7.608 1.00 0.00 C ATOM 62 O GLY A 7 3.453 7.355 7.937 1.00 0.00 O ATOM 0 H GLY A 7 2.598 10.295 6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.080 8.144 5.996 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.638 7.486 5.537 1.00 0.00 H new ATOM 66 N PRO A 8 1.718 8.751 8.481 1.00 0.00 N ATOM 67 CA PRO A 8 1.940 8.666 9.914 1.00 0.00 C ATOM 68 C PRO A 8 1.458 7.322 10.465 1.00 0.00 C ATOM 69 O PRO A 8 2.166 6.672 11.233 1.00 0.00 O ATOM 70 CB PRO A 8 1.189 9.851 10.499 1.00 0.00 C ATOM 71 CG PRO A 8 0.197 10.284 9.432 1.00 0.00 C ATOM 72 CD PRO A 8 0.593 9.611 8.128 1.00 0.00 C ATOM 0 HA PRO A 8 2.996 8.710 10.179 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.676 9.572 11.419 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.873 10.662 10.749 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.817 10.001 9.715 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.205 11.368 9.320 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.233 9.032 7.714 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.877 10.345 7.374 1.00 0.00 H new ATOM 80 N ASP A 9 0.257 6.945 10.052 1.00 0.00 N ATOM 81 CA ASP A 9 -0.327 5.691 10.494 1.00 0.00 C ATOM 82 C ASP A 9 -1.591 5.406 9.680 1.00 0.00 C ATOM 83 O ASP A 9 -2.593 6.106 9.817 1.00 0.00 O ATOM 84 CB ASP A 9 -0.722 5.757 11.971 1.00 0.00 C ATOM 85 CG ASP A 9 0.197 4.986 12.921 1.00 0.00 C ATOM 86 OD1 ASP A 9 -0.018 3.761 13.048 1.00 0.00 O ATOM 87 OD2 ASP A 9 1.092 5.639 13.500 1.00 0.00 O ATOM 0 H ASP A 9 -0.328 7.487 9.416 1.00 0.00 H new ATOM 0 HA ASP A 9 0.416 4.906 10.354 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.744 6.802 12.279 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.736 5.372 12.078 1.00 0.00 H new ATOM 92 N ALA A 10 -1.502 4.377 8.850 1.00 0.00 N ATOM 93 CA ALA A 10 -2.625 3.991 8.013 1.00 0.00 C ATOM 94 C ALA A 10 -2.861 2.486 8.146 1.00 0.00 C ATOM 95 O ALA A 10 -2.097 1.685 7.609 1.00 0.00 O ATOM 96 CB ALA A 10 -2.355 4.415 6.568 1.00 0.00 C ATOM 0 H ALA A 10 -0.669 3.799 8.739 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.535 4.496 8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.198 4.125 5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.225 5.496 6.524 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.450 3.926 6.208 1.00 0.00 H new ATOM 102 N ASP A 11 -3.922 2.146 8.863 1.00 0.00 N ATOM 103 CA ASP A 11 -4.267 0.750 9.073 1.00 0.00 C ATOM 104 C ASP A 11 -4.023 -0.031 7.780 1.00 0.00 C ATOM 105 O ASP A 11 -4.133 0.521 6.686 1.00 0.00 O ATOM 106 CB ASP A 11 -5.743 0.598 9.445 1.00 0.00 C ATOM 107 CG ASP A 11 -6.634 1.778 9.052 1.00 0.00 C ATOM 108 OD1 ASP A 11 -6.267 2.466 8.075 1.00 0.00 O ATOM 109 OD2 ASP A 11 -7.663 1.965 9.737 1.00 0.00 O ATOM 0 H ASP A 11 -4.554 2.813 9.306 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.649 0.368 9.885 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.130 -0.304 8.971 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.817 0.449 10.522 1.00 0.00 H new ATOM 114 N PRO A 12 -3.688 -1.338 7.952 1.00 0.00 N ATOM 115 CA PRO A 12 -3.427 -2.201 6.812 1.00 0.00 C ATOM 116 C PRO A 12 -4.730 -2.591 6.111 1.00 0.00 C ATOM 117 O PRO A 12 -4.918 -2.294 4.933 1.00 0.00 O ATOM 118 CB PRO A 12 -2.680 -3.394 7.385 1.00 0.00 C ATOM 119 CG PRO A 12 -2.956 -3.381 8.879 1.00 0.00 C ATOM 120 CD PRO A 12 -3.549 -2.026 9.232 1.00 0.00 C ATOM 0 HA PRO A 12 -2.834 -1.711 6.040 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.024 -4.324 6.933 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.611 -3.318 7.185 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.646 -4.181 9.147 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.036 -3.553 9.439 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.512 -2.133 9.731 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.899 -1.473 9.910 1.00 0.00 H new ATOM 128 N VAL A 13 -5.596 -3.252 6.866 1.00 0.00 N ATOM 129 CA VAL A 13 -6.875 -3.686 6.332 1.00 0.00 C ATOM 130 C VAL A 13 -7.437 -2.597 5.417 1.00 0.00 C ATOM 131 O VAL A 13 -7.785 -2.865 4.267 1.00 0.00 O ATOM 132 CB VAL A 13 -7.823 -4.053 7.476 1.00 0.00 C ATOM 133 CG1 VAL A 13 -7.877 -2.937 8.522 1.00 0.00 C ATOM 134 CG2 VAL A 13 -9.221 -4.378 6.947 1.00 0.00 C ATOM 0 H VAL A 13 -5.436 -3.497 7.843 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.751 -4.586 5.729 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.433 -4.948 7.961 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.558 -3.223 9.324 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.880 -2.774 8.932 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.232 -2.018 8.055 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.875 -4.635 7.780 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.623 -3.510 6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.163 -5.221 6.258 1.00 0.00 H new ATOM 144 N GLU A 14 -7.509 -1.391 5.960 1.00 0.00 N ATOM 145 CA GLU A 14 -8.023 -0.259 5.207 1.00 0.00 C ATOM 146 C GLU A 14 -7.299 -0.143 3.864 1.00 0.00 C ATOM 147 O GLU A 14 -7.929 -0.192 2.809 1.00 0.00 O ATOM 148 CB GLU A 14 -7.900 1.037 6.011 1.00 0.00 C ATOM 149 CG GLU A 14 -9.236 1.412 6.654 1.00 0.00 C ATOM 150 CD GLU A 14 -10.176 2.053 5.631 1.00 0.00 C ATOM 151 OE1 GLU A 14 -9.681 2.904 4.860 1.00 0.00 O ATOM 152 OE2 GLU A 14 -11.368 1.678 5.644 1.00 0.00 O ATOM 0 H GLU A 14 -7.220 -1.173 6.913 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.082 -0.427 5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.141 0.919 6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.567 1.844 5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.704 0.522 7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.065 2.103 7.479 1.00 0.00 H new ATOM 159 N ILE A 15 -5.986 0.008 3.947 1.00 0.00 N ATOM 160 CA ILE A 15 -5.169 0.132 2.752 1.00 0.00 C ATOM 161 C ILE A 15 -5.549 -0.973 1.764 1.00 0.00 C ATOM 162 O ILE A 15 -5.768 -0.706 0.583 1.00 0.00 O ATOM 163 CB ILE A 15 -3.683 0.147 3.117 1.00 0.00 C ATOM 164 CG1 ILE A 15 -3.353 1.336 4.021 1.00 0.00 C ATOM 165 CG2 ILE A 15 -2.810 0.122 1.861 1.00 0.00 C ATOM 166 CD1 ILE A 15 -2.052 1.096 4.789 1.00 0.00 C ATOM 0 H ILE A 15 -5.467 0.047 4.824 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.360 1.084 2.256 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.460 -0.758 3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.263 2.241 3.420 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.170 1.501 4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.759 0.133 2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.020 -0.782 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.028 0.997 1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.840 1.956 5.424 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.154 0.204 5.408 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.233 0.956 4.083 1.00 0.00 H new ATOM 178 N GLU A 16 -5.614 -2.190 2.283 1.00 0.00 N ATOM 179 CA GLU A 16 -5.963 -3.337 1.462 1.00 0.00 C ATOM 180 C GLU A 16 -7.331 -3.126 0.810 1.00 0.00 C ATOM 181 O GLU A 16 -7.448 -3.139 -0.414 1.00 0.00 O ATOM 182 CB GLU A 16 -5.939 -4.627 2.283 1.00 0.00 C ATOM 183 CG GLU A 16 -4.584 -4.817 2.967 1.00 0.00 C ATOM 184 CD GLU A 16 -4.404 -6.263 3.435 1.00 0.00 C ATOM 185 OE1 GLU A 16 -4.838 -7.161 2.682 1.00 0.00 O ATOM 186 OE2 GLU A 16 -3.836 -6.437 4.535 1.00 0.00 O ATOM 0 H GLU A 16 -5.431 -2.407 3.263 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.218 -3.435 0.673 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.729 -4.599 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.146 -5.479 1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.784 -4.552 2.276 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.505 -4.143 3.820 1.00 0.00 H new ATOM 193 N ASN A 17 -8.331 -2.936 1.658 1.00 0.00 N ATOM 194 CA ASN A 17 -9.687 -2.723 1.180 1.00 0.00 C ATOM 195 C ASN A 17 -9.652 -1.816 -0.052 1.00 0.00 C ATOM 196 O ASN A 17 -10.281 -2.116 -1.066 1.00 0.00 O ATOM 197 CB ASN A 17 -10.546 -2.039 2.245 1.00 0.00 C ATOM 198 CG ASN A 17 -11.477 -3.044 2.926 1.00 0.00 C ATOM 199 OD1 ASN A 17 -12.486 -3.461 2.382 1.00 0.00 O ATOM 200 ND2 ASN A 17 -11.084 -3.407 4.144 1.00 0.00 N ATOM 0 H ASN A 17 -8.230 -2.925 2.673 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.116 -3.696 0.940 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.903 -1.570 2.990 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.135 -1.244 1.787 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.639 -4.073 4.681 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.228 -3.019 4.540 1.00 0.00 H new ATOM 207 N ARG A 18 -8.910 -0.726 0.076 1.00 0.00 N ATOM 208 CA ARG A 18 -8.785 0.226 -1.015 1.00 0.00 C ATOM 209 C ARG A 18 -8.454 -0.501 -2.319 1.00 0.00 C ATOM 210 O ARG A 18 -9.055 -0.227 -3.357 1.00 0.00 O ATOM 211 CB ARG A 18 -7.694 1.258 -0.722 1.00 0.00 C ATOM 212 CG ARG A 18 -8.282 2.667 -0.629 1.00 0.00 C ATOM 213 CD ARG A 18 -9.173 2.971 -1.835 1.00 0.00 C ATOM 214 NE ARG A 18 -8.780 4.261 -2.443 1.00 0.00 N ATOM 215 CZ ARG A 18 -9.197 5.457 -2.004 1.00 0.00 C ATOM 216 NH1 ARG A 18 -10.023 5.533 -0.952 1.00 0.00 N ATOM 217 NH2 ARG A 18 -8.788 6.576 -2.617 1.00 0.00 N ATOM 0 H ARG A 18 -8.389 -0.481 0.918 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.740 0.742 -1.116 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.193 1.007 0.213 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.939 1.227 -1.507 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.862 2.763 0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.476 3.398 -0.575 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.087 2.172 -2.571 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.217 3.009 -1.525 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.152 4.239 -3.247 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.334 4.681 -0.485 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.341 6.443 -0.618 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.159 6.518 -3.418 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.106 7.486 -2.283 1.00 0.00 H new ATOM 231 N ILE A 19 -7.498 -1.414 -2.224 1.00 0.00 N ATOM 232 CA ILE A 19 -7.079 -2.182 -3.384 1.00 0.00 C ATOM 233 C ILE A 19 -8.261 -3.006 -3.898 1.00 0.00 C ATOM 234 O ILE A 19 -8.458 -3.128 -5.106 1.00 0.00 O ATOM 235 CB ILE A 19 -5.843 -3.021 -3.052 1.00 0.00 C ATOM 236 CG1 ILE A 19 -4.681 -2.133 -2.603 1.00 0.00 C ATOM 237 CG2 ILE A 19 -5.457 -3.918 -4.231 1.00 0.00 C ATOM 238 CD1 ILE A 19 -3.615 -2.952 -1.874 1.00 0.00 C ATOM 0 H ILE A 19 -7.002 -1.639 -1.362 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.777 -1.517 -4.193 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.089 -3.675 -2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.238 -1.642 -3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.052 -1.346 -1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.576 -4.504 -3.969 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.283 -4.590 -4.463 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.236 -3.300 -5.101 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.800 -2.297 -1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.055 -3.422 -0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.228 -3.722 -2.541 1.00 0.00 H new ATOM 250 N ILE A 20 -9.018 -3.549 -2.956 1.00 0.00 N ATOM 251 CA ILE A 20 -10.175 -4.357 -3.299 1.00 0.00 C ATOM 252 C ILE A 20 -11.132 -3.530 -4.161 1.00 0.00 C ATOM 253 O ILE A 20 -11.510 -3.951 -5.253 1.00 0.00 O ATOM 254 CB ILE A 20 -10.823 -4.929 -2.037 1.00 0.00 C ATOM 255 CG1 ILE A 20 -9.809 -5.724 -1.212 1.00 0.00 C ATOM 256 CG2 ILE A 20 -12.059 -5.762 -2.383 1.00 0.00 C ATOM 257 CD1 ILE A 20 -8.997 -6.667 -2.102 1.00 0.00 C ATOM 0 H ILE A 20 -8.852 -3.445 -1.955 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.874 -5.220 -3.893 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.159 -4.096 -1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.138 -5.038 -0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.329 -6.299 -0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.500 -6.157 -1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -12.788 -5.135 -2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.771 -6.589 -3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.284 -7.220 -1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.669 -7.367 -2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.459 -6.087 -2.852 1.00 0.00 H new ATOM 269 N GLU A 21 -11.496 -2.369 -3.637 1.00 0.00 N ATOM 270 CA GLU A 21 -12.401 -1.480 -4.344 1.00 0.00 C ATOM 271 C GLU A 21 -11.888 -1.218 -5.761 1.00 0.00 C ATOM 272 O GLU A 21 -12.677 -1.031 -6.686 1.00 0.00 O ATOM 273 CB GLU A 21 -12.591 -0.169 -3.579 1.00 0.00 C ATOM 274 CG GLU A 21 -13.540 -0.359 -2.393 1.00 0.00 C ATOM 275 CD GLU A 21 -14.736 0.591 -2.491 1.00 0.00 C ATOM 276 OE1 GLU A 21 -15.147 0.869 -3.638 1.00 0.00 O ATOM 277 OE2 GLU A 21 -15.212 1.016 -1.417 1.00 0.00 O ATOM 0 H GLU A 21 -11.180 -2.024 -2.731 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.374 -1.966 -4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.626 0.192 -3.223 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.989 0.593 -4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.891 -1.390 -2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.004 -0.180 -1.461 1.00 0.00 H new ATOM 284 N LEU A 22 -10.569 -1.212 -5.887 1.00 0.00 N ATOM 285 CA LEU A 22 -9.941 -0.976 -7.176 1.00 0.00 C ATOM 286 C LEU A 22 -10.010 -2.254 -8.014 1.00 0.00 C ATOM 287 O LEU A 22 -10.549 -2.247 -9.120 1.00 0.00 O ATOM 288 CB LEU A 22 -8.520 -0.440 -6.990 1.00 0.00 C ATOM 289 CG LEU A 22 -8.355 1.077 -7.107 1.00 0.00 C ATOM 290 CD1 LEU A 22 -7.614 1.643 -5.895 1.00 0.00 C ATOM 291 CD2 LEU A 22 -7.673 1.454 -8.424 1.00 0.00 C ATOM 0 H LEU A 22 -9.918 -1.367 -5.117 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.479 -0.204 -7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.162 -0.750 -6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.874 -0.914 -7.729 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.347 1.529 -7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.510 2.723 -6.004 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.177 1.422 -4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.626 1.188 -5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.568 2.537 -8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.687 0.991 -8.469 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.277 1.103 -9.260 1.00 0.00 H new ATOM 303 N CYS A 23 -9.458 -3.321 -7.456 1.00 0.00 N ATOM 304 CA CYS A 23 -9.451 -4.604 -8.138 1.00 0.00 C ATOM 305 C CYS A 23 -10.835 -4.832 -8.747 1.00 0.00 C ATOM 306 O CYS A 23 -10.964 -5.501 -9.771 1.00 0.00 O ATOM 307 CB CYS A 23 -9.046 -5.742 -7.198 1.00 0.00 C ATOM 308 SG CYS A 23 -7.402 -5.399 -6.471 1.00 0.00 S ATOM 0 H CYS A 23 -9.012 -3.323 -6.539 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.704 -4.593 -8.932 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.787 -5.852 -6.406 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -9.021 -6.685 -7.745 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.435 -4.263 -5.839 1.00 0.00 H new ATOM 314 N HIS A 24 -11.836 -4.262 -8.092 1.00 0.00 N ATOM 315 CA HIS A 24 -13.206 -4.395 -8.557 1.00 0.00 C ATOM 316 C HIS A 24 -13.438 -3.461 -9.746 1.00 0.00 C ATOM 317 O HIS A 24 -13.993 -3.871 -10.764 1.00 0.00 O ATOM 318 CB HIS A 24 -14.194 -4.155 -7.413 1.00 0.00 C ATOM 319 CG HIS A 24 -14.680 -5.420 -6.746 1.00 0.00 C ATOM 320 ND1 HIS A 24 -15.108 -6.526 -7.458 1.00 0.00 N ATOM 321 CD2 HIS A 24 -14.800 -5.742 -5.426 1.00 0.00 C ATOM 322 CE1 HIS A 24 -15.469 -7.465 -6.596 1.00 0.00 C ATOM 323 NE2 HIS A 24 -15.277 -6.977 -5.337 1.00 0.00 N ATOM 0 H HIS A 24 -11.725 -3.707 -7.243 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.379 -5.415 -8.901 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.720 -3.521 -6.664 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -15.053 -3.606 -7.798 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.549 -5.100 -4.594 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.849 -8.445 -6.846 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -15.469 -7.479 -4.470 1.00 0.00 H new ATOM 331 N GLN A 25 -13.001 -2.221 -9.577 1.00 0.00 N ATOM 332 CA GLN A 25 -13.154 -1.225 -10.623 1.00 0.00 C ATOM 333 C GLN A 25 -12.405 -1.660 -11.884 1.00 0.00 C ATOM 334 O GLN A 25 -12.869 -1.424 -12.999 1.00 0.00 O ATOM 335 CB GLN A 25 -12.674 0.148 -10.147 1.00 0.00 C ATOM 336 CG GLN A 25 -13.845 0.991 -9.637 1.00 0.00 C ATOM 337 CD GLN A 25 -14.941 1.107 -10.698 1.00 0.00 C ATOM 338 OE1 GLN A 25 -14.784 0.700 -11.837 1.00 0.00 O ATOM 339 NE2 GLN A 25 -16.057 1.683 -10.262 1.00 0.00 N ATOM 0 H GLN A 25 -12.541 -1.884 -8.731 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.214 -1.140 -10.864 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.937 0.025 -9.353 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.177 0.668 -10.966 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.255 0.541 -8.733 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.491 1.985 -9.365 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -16.122 2.001 -9.295 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.848 1.806 -10.894 1.00 0.00 H new ATOM 348 N PHE A 26 -11.259 -2.289 -11.666 1.00 0.00 N ATOM 349 CA PHE A 26 -10.442 -2.760 -12.771 1.00 0.00 C ATOM 350 C PHE A 26 -10.338 -4.286 -12.765 1.00 0.00 C ATOM 351 O PHE A 26 -9.612 -4.859 -11.954 1.00 0.00 O ATOM 352 CB PHE A 26 -9.046 -2.164 -12.580 1.00 0.00 C ATOM 353 CG PHE A 26 -9.035 -0.643 -12.416 1.00 0.00 C ATOM 354 CD1 PHE A 26 -9.325 -0.088 -11.209 1.00 0.00 C ATOM 355 CD2 PHE A 26 -8.735 0.153 -13.477 1.00 0.00 C ATOM 356 CE1 PHE A 26 -9.315 1.324 -11.057 1.00 0.00 C ATOM 357 CE2 PHE A 26 -8.726 1.565 -13.324 1.00 0.00 C ATOM 358 CZ PHE A 26 -9.016 2.121 -12.118 1.00 0.00 C ATOM 0 H PHE A 26 -10.877 -2.483 -10.740 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.887 -2.458 -13.719 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.586 -2.617 -11.702 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.428 -2.431 -13.437 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.563 -0.721 -10.367 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.504 -0.288 -14.435 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.545 1.765 -10.098 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.489 2.197 -14.167 1.00 0.00 H new ATOM 0 HZ PHE A 26 -9.009 3.195 -12.002 1.00 0.00 H new ATOM 368 N PRO A 27 -11.093 -4.918 -13.702 1.00 0.00 N ATOM 369 CA PRO A 27 -11.093 -6.367 -13.812 1.00 0.00 C ATOM 370 C PRO A 27 -9.802 -6.867 -14.465 1.00 0.00 C ATOM 371 O PRO A 27 -9.348 -7.974 -14.182 1.00 0.00 O ATOM 372 CB PRO A 27 -12.336 -6.701 -14.621 1.00 0.00 C ATOM 373 CG PRO A 27 -12.731 -5.414 -15.327 1.00 0.00 C ATOM 374 CD PRO A 27 -11.965 -4.272 -14.679 1.00 0.00 C ATOM 0 HA PRO A 27 -11.121 -6.862 -12.842 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.133 -7.495 -15.340 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.139 -7.055 -13.975 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.498 -5.475 -16.390 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.805 -5.248 -15.245 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.388 -3.713 -15.416 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.641 -3.564 -14.200 1.00 0.00 H new ATOM 382 N HIS A 28 -9.249 -6.026 -15.327 1.00 0.00 N ATOM 383 CA HIS A 28 -8.020 -6.369 -16.022 1.00 0.00 C ATOM 384 C HIS A 28 -6.862 -6.417 -15.024 1.00 0.00 C ATOM 385 O HIS A 28 -6.003 -7.294 -15.105 1.00 0.00 O ATOM 386 CB HIS A 28 -7.764 -5.403 -17.181 1.00 0.00 C ATOM 387 CG HIS A 28 -8.913 -5.294 -18.154 1.00 0.00 C ATOM 388 ND1 HIS A 28 -9.648 -4.133 -18.320 1.00 0.00 N ATOM 389 CD2 HIS A 28 -9.446 -6.212 -19.011 1.00 0.00 C ATOM 390 CE1 HIS A 28 -10.578 -4.353 -19.237 1.00 0.00 C ATOM 391 NE2 HIS A 28 -10.452 -5.643 -19.664 1.00 0.00 N ATOM 0 H HIS A 28 -9.629 -5.109 -15.560 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.113 -7.361 -16.465 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.549 -4.414 -16.776 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.874 -5.727 -17.720 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.107 -7.230 -19.137 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.308 -3.637 -19.586 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.035 -6.095 -20.369 1.00 0.00 H new ATOM 399 N GLY A 29 -6.875 -5.463 -14.105 1.00 0.00 N ATOM 400 CA GLY A 29 -5.836 -5.385 -13.092 1.00 0.00 C ATOM 401 C GLY A 29 -5.441 -3.932 -12.822 1.00 0.00 C ATOM 402 O GLY A 29 -5.955 -3.016 -13.462 1.00 0.00 O ATOM 0 H GLY A 29 -7.589 -4.737 -14.041 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.187 -5.847 -12.170 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.962 -5.949 -13.418 1.00 0.00 H new ATOM 406 N ILE A 30 -4.531 -3.766 -11.873 1.00 0.00 N ATOM 407 CA ILE A 30 -4.062 -2.440 -11.510 1.00 0.00 C ATOM 408 C ILE A 30 -2.553 -2.488 -11.261 1.00 0.00 C ATOM 409 O ILE A 30 -2.060 -3.392 -10.588 1.00 0.00 O ATOM 410 CB ILE A 30 -4.862 -1.892 -10.327 1.00 0.00 C ATOM 411 CG1 ILE A 30 -4.628 -2.733 -9.070 1.00 0.00 C ATOM 412 CG2 ILE A 30 -6.348 -1.783 -10.675 1.00 0.00 C ATOM 413 CD1 ILE A 30 -5.251 -2.068 -7.841 1.00 0.00 C ATOM 0 H ILE A 30 -4.106 -4.528 -11.345 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.229 -1.741 -12.329 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.506 -0.885 -10.111 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.057 -3.726 -9.207 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.558 -2.867 -8.912 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.895 -1.391 -9.817 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.475 -1.111 -11.524 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.735 -2.769 -10.932 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.070 -2.686 -6.962 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.803 -1.086 -7.692 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.325 -1.958 -7.992 1.00 0.00 H new ATOM 425 N THR A 31 -1.862 -1.504 -11.818 1.00 0.00 N ATOM 426 CA THR A 31 -0.419 -1.423 -11.665 1.00 0.00 C ATOM 427 C THR A 31 -0.058 -0.524 -10.481 1.00 0.00 C ATOM 428 O THR A 31 -0.815 0.379 -10.129 1.00 0.00 O ATOM 429 CB THR A 31 0.171 -0.946 -12.993 1.00 0.00 C ATOM 430 OG1 THR A 31 -0.363 0.365 -13.159 1.00 0.00 O ATOM 431 CG2 THR A 31 -0.375 -1.726 -14.191 1.00 0.00 C ATOM 0 H THR A 31 -2.274 -0.756 -12.376 1.00 0.00 H new ATOM 0 HA THR A 31 0.010 -2.398 -11.434 1.00 0.00 H new ATOM 0 HB THR A 31 1.256 -1.041 -12.963 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.030 0.750 -13.996 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.076 -1.347 -15.108 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.134 -2.783 -14.078 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.457 -1.604 -14.242 1.00 0.00 H new ATOM 439 N ASP A 32 1.100 -0.802 -9.899 1.00 0.00 N ATOM 440 CA ASP A 32 1.571 -0.029 -8.763 1.00 0.00 C ATOM 441 C ASP A 32 1.257 1.451 -8.992 1.00 0.00 C ATOM 442 O ASP A 32 0.772 2.133 -8.091 1.00 0.00 O ATOM 443 CB ASP A 32 3.084 -0.170 -8.590 1.00 0.00 C ATOM 444 CG ASP A 32 3.926 0.578 -9.625 1.00 0.00 C ATOM 445 OD1 ASP A 32 3.703 0.323 -10.829 1.00 0.00 O ATOM 446 OD2 ASP A 32 4.774 1.387 -9.190 1.00 0.00 O ATOM 0 H ASP A 32 1.726 -1.552 -10.193 1.00 0.00 H new ATOM 0 HA ASP A 32 1.070 -0.403 -7.870 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.356 0.187 -7.597 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.342 -1.228 -8.630 1.00 0.00 H new ATOM 451 N GLN A 33 1.547 1.903 -10.203 1.00 0.00 N ATOM 452 CA GLN A 33 1.302 3.290 -10.563 1.00 0.00 C ATOM 453 C GLN A 33 -0.097 3.715 -10.112 1.00 0.00 C ATOM 454 O GLN A 33 -0.242 4.646 -9.321 1.00 0.00 O ATOM 455 CB GLN A 33 1.484 3.507 -12.066 1.00 0.00 C ATOM 456 CG GLN A 33 1.396 4.993 -12.420 1.00 0.00 C ATOM 457 CD GLN A 33 2.751 5.680 -12.238 1.00 0.00 C ATOM 458 OE1 GLN A 33 3.140 6.065 -11.148 1.00 0.00 O ATOM 459 NE2 GLN A 33 3.447 5.811 -13.364 1.00 0.00 N ATOM 0 H GLN A 33 1.949 1.334 -10.948 1.00 0.00 H new ATOM 0 HA GLN A 33 2.033 3.914 -10.049 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.450 3.111 -12.380 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.720 2.954 -12.612 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.062 5.106 -13.452 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.651 5.477 -11.789 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.063 5.466 -14.244 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.365 6.256 -13.347 1.00 0.00 H new ATOM 468 N VAL A 34 -1.092 3.013 -10.636 1.00 0.00 N ATOM 469 CA VAL A 34 -2.474 3.307 -10.298 1.00 0.00 C ATOM 470 C VAL A 34 -2.586 3.546 -8.791 1.00 0.00 C ATOM 471 O VAL A 34 -2.792 4.677 -8.352 1.00 0.00 O ATOM 472 CB VAL A 34 -3.384 2.182 -10.794 1.00 0.00 C ATOM 473 CG1 VAL A 34 -4.820 2.383 -10.305 1.00 0.00 C ATOM 474 CG2 VAL A 34 -3.335 2.068 -12.319 1.00 0.00 C ATOM 0 H VAL A 34 -0.968 2.242 -11.292 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.804 4.218 -10.797 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.016 1.245 -10.377 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.446 1.570 -10.671 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.836 2.390 -9.215 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.202 3.333 -10.680 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.991 1.261 -12.645 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.665 3.006 -12.765 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.314 1.856 -12.635 1.00 0.00 H new ATOM 484 N ILE A 35 -2.446 2.464 -8.040 1.00 0.00 N ATOM 485 CA ILE A 35 -2.529 2.541 -6.591 1.00 0.00 C ATOM 486 C ILE A 35 -1.730 3.751 -6.103 1.00 0.00 C ATOM 487 O ILE A 35 -2.031 4.316 -5.053 1.00 0.00 O ATOM 488 CB ILE A 35 -2.092 1.219 -5.958 1.00 0.00 C ATOM 489 CG1 ILE A 35 -2.945 0.057 -6.470 1.00 0.00 C ATOM 490 CG2 ILE A 35 -2.106 1.312 -4.431 1.00 0.00 C ATOM 491 CD1 ILE A 35 -2.065 -1.086 -6.979 1.00 0.00 C ATOM 0 H ILE A 35 -2.275 1.528 -8.408 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.561 2.692 -6.276 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.064 1.019 -6.259 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.591 -0.305 -5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.596 0.405 -7.272 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.791 0.359 -4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.422 2.097 -4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.114 1.546 -4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.696 -1.899 -7.337 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.438 -0.727 -7.795 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.433 -1.448 -6.168 1.00 0.00 H new ATOM 503 N GLN A 36 -0.727 4.114 -6.890 1.00 0.00 N ATOM 504 CA GLN A 36 0.117 5.247 -6.551 1.00 0.00 C ATOM 505 C GLN A 36 -0.656 6.556 -6.722 1.00 0.00 C ATOM 506 O GLN A 36 -0.716 7.370 -5.802 1.00 0.00 O ATOM 507 CB GLN A 36 1.394 5.250 -7.394 1.00 0.00 C ATOM 508 CG GLN A 36 2.613 5.613 -6.542 1.00 0.00 C ATOM 509 CD GLN A 36 3.913 5.288 -7.280 1.00 0.00 C ATOM 510 OE1 GLN A 36 4.011 4.328 -8.026 1.00 0.00 O ATOM 511 NE2 GLN A 36 4.903 6.141 -7.031 1.00 0.00 N ATOM 0 H GLN A 36 -0.480 3.644 -7.761 1.00 0.00 H new ATOM 0 HA GLN A 36 0.411 5.156 -5.505 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.540 4.268 -7.844 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.292 5.963 -8.212 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.586 6.674 -6.295 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.579 5.066 -5.600 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.753 6.925 -6.395 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.812 6.011 -7.476 1.00 0.00 H new ATOM 520 N ASN A 37 -1.229 6.717 -7.906 1.00 0.00 N ATOM 521 CA ASN A 37 -1.996 7.913 -8.209 1.00 0.00 C ATOM 522 C ASN A 37 -3.308 7.886 -7.422 1.00 0.00 C ATOM 523 O ASN A 37 -3.930 8.925 -7.210 1.00 0.00 O ATOM 524 CB ASN A 37 -2.339 7.984 -9.698 1.00 0.00 C ATOM 525 CG ASN A 37 -1.620 9.155 -10.372 1.00 0.00 C ATOM 526 OD1 ASN A 37 -1.949 10.314 -10.177 1.00 0.00 O ATOM 527 ND2 ASN A 37 -0.624 8.789 -11.173 1.00 0.00 N ATOM 0 H ASN A 37 -1.177 6.039 -8.666 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.393 8.779 -7.936 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.056 7.051 -10.185 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.416 8.094 -9.822 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.082 9.497 -11.669 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.401 7.801 -11.291 1.00 0.00 H new ATOM 534 N GLU A 38 -3.688 6.686 -7.010 1.00 0.00 N ATOM 535 CA GLU A 38 -4.915 6.509 -6.251 1.00 0.00 C ATOM 536 C GLU A 38 -4.653 6.732 -4.760 1.00 0.00 C ATOM 537 O GLU A 38 -5.385 7.470 -4.102 1.00 0.00 O ATOM 538 CB GLU A 38 -5.520 5.126 -6.501 1.00 0.00 C ATOM 539 CG GLU A 38 -5.880 4.943 -7.976 1.00 0.00 C ATOM 540 CD GLU A 38 -6.997 5.903 -8.391 1.00 0.00 C ATOM 541 OE1 GLU A 38 -8.172 5.528 -8.188 1.00 0.00 O ATOM 542 OE2 GLU A 38 -6.651 6.990 -8.902 1.00 0.00 O ATOM 0 H GLU A 38 -3.168 5.826 -7.187 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.638 7.251 -6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.812 4.355 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.412 4.999 -5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.999 5.116 -8.593 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.195 3.915 -8.152 1.00 0.00 H new ATOM 549 N MET A 39 -3.607 6.082 -4.272 1.00 0.00 N ATOM 550 CA MET A 39 -3.240 6.200 -2.871 1.00 0.00 C ATOM 551 C MET A 39 -1.735 6.424 -2.716 1.00 0.00 C ATOM 552 O MET A 39 -1.020 5.548 -2.231 1.00 0.00 O ATOM 553 CB MET A 39 -3.646 4.926 -2.127 1.00 0.00 C ATOM 554 CG MET A 39 -5.135 4.630 -2.318 1.00 0.00 C ATOM 555 SD MET A 39 -5.360 2.937 -2.836 1.00 0.00 S ATOM 556 CE MET A 39 -4.500 2.093 -1.519 1.00 0.00 C ATOM 0 H MET A 39 -3.002 5.472 -4.822 1.00 0.00 H new ATOM 0 HA MET A 39 -3.762 7.059 -2.449 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.055 4.085 -2.490 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.427 5.035 -1.065 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.672 4.808 -1.386 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.556 5.306 -3.063 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.829 1.055 -1.476 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.427 2.126 -1.706 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.719 2.582 -0.570 1.00 0.00 H new ATOM 566 N PRO A 40 -1.286 7.633 -3.147 1.00 0.00 N ATOM 567 CA PRO A 40 0.121 7.984 -3.061 1.00 0.00 C ATOM 568 C PRO A 40 0.517 8.312 -1.620 1.00 0.00 C ATOM 569 O PRO A 40 1.698 8.285 -1.276 1.00 0.00 O ATOM 570 CB PRO A 40 0.292 9.161 -4.007 1.00 0.00 C ATOM 571 CG PRO A 40 -1.103 9.721 -4.232 1.00 0.00 C ATOM 572 CD PRO A 40 -2.104 8.695 -3.726 1.00 0.00 C ATOM 0 HA PRO A 40 0.778 7.162 -3.347 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.951 9.915 -3.577 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.742 8.844 -4.948 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.225 10.666 -3.703 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.267 9.924 -5.290 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.774 9.128 -2.983 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.728 8.317 -4.536 1.00 0.00 H new ATOM 580 N HIS A 41 -0.492 8.616 -0.818 1.00 0.00 N ATOM 581 CA HIS A 41 -0.264 8.950 0.578 1.00 0.00 C ATOM 582 C HIS A 41 0.171 7.697 1.341 1.00 0.00 C ATOM 583 O HIS A 41 0.547 7.776 2.509 1.00 0.00 O ATOM 584 CB HIS A 41 -1.500 9.615 1.187 1.00 0.00 C ATOM 585 CG HIS A 41 -2.742 8.758 1.145 1.00 0.00 C ATOM 586 ND1 HIS A 41 -3.651 8.805 0.103 1.00 0.00 N ATOM 587 CD2 HIS A 41 -3.216 7.831 2.027 1.00 0.00 C ATOM 588 CE1 HIS A 41 -4.624 7.942 0.357 1.00 0.00 C ATOM 589 NE2 HIS A 41 -4.353 7.340 1.550 1.00 0.00 N ATOM 0 H HIS A 41 -1.470 8.638 -1.108 1.00 0.00 H new ATOM 0 HA HIS A 41 0.543 9.678 0.654 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -1.286 9.876 2.223 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -1.696 10.547 0.658 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -2.745 7.545 2.956 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -5.481 7.749 -0.271 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.929 6.630 2.001 1.00 0.00 H new ATOM 597 N ILE A 42 0.104 6.569 0.649 1.00 0.00 N ATOM 598 CA ILE A 42 0.487 5.301 1.246 1.00 0.00 C ATOM 599 C ILE A 42 2.011 5.169 1.221 1.00 0.00 C ATOM 600 O ILE A 42 2.672 5.737 0.353 1.00 0.00 O ATOM 601 CB ILE A 42 -0.242 4.144 0.560 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.757 4.360 0.580 1.00 0.00 C ATOM 603 CG2 ILE A 42 0.154 2.802 1.179 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.328 4.107 1.977 1.00 0.00 C ATOM 0 H ILE A 42 -0.210 6.507 -0.320 1.00 0.00 H new ATOM 0 HA ILE A 42 0.181 5.265 2.292 1.00 0.00 H new ATOM 0 HB ILE A 42 0.065 4.120 -0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.987 5.379 0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.233 3.692 -0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.378 1.997 0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.228 2.653 1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.105 2.799 2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.406 4.267 1.964 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.117 3.080 2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.868 4.793 2.688 1.00 0.00 H new ATOM 616 N GLU A 43 2.523 4.417 2.183 1.00 0.00 N ATOM 617 CA GLU A 43 3.957 4.203 2.283 1.00 0.00 C ATOM 618 C GLU A 43 4.399 3.104 1.314 1.00 0.00 C ATOM 619 O GLU A 43 3.568 2.362 0.791 1.00 0.00 O ATOM 620 CB GLU A 43 4.363 3.863 3.718 1.00 0.00 C ATOM 621 CG GLU A 43 4.399 5.120 4.590 1.00 0.00 C ATOM 622 CD GLU A 43 5.377 4.952 5.755 1.00 0.00 C ATOM 623 OE1 GLU A 43 4.927 4.440 6.803 1.00 0.00 O ATOM 624 OE2 GLU A 43 6.551 5.338 5.571 1.00 0.00 O ATOM 0 H GLU A 43 1.971 3.948 2.901 1.00 0.00 H new ATOM 0 HA GLU A 43 4.462 5.129 2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.659 3.145 4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.344 3.387 3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.692 5.978 3.985 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.401 5.328 4.976 1.00 0.00 H new ATOM 631 N ALA A 44 5.705 3.035 1.103 1.00 0.00 N ATOM 632 CA ALA A 44 6.266 2.039 0.206 1.00 0.00 C ATOM 633 C ALA A 44 5.987 0.641 0.763 1.00 0.00 C ATOM 634 O ALA A 44 5.499 -0.230 0.046 1.00 0.00 O ATOM 635 CB ALA A 44 7.762 2.304 0.020 1.00 0.00 C ATOM 0 H ALA A 44 6.391 3.652 1.538 1.00 0.00 H new ATOM 0 HA ALA A 44 5.799 2.102 -0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.183 1.557 -0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.905 3.297 -0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.264 2.247 0.986 1.00 0.00 H new ATOM 641 N GLN A 45 6.308 0.472 2.037 1.00 0.00 N ATOM 642 CA GLN A 45 6.098 -0.804 2.699 1.00 0.00 C ATOM 643 C GLN A 45 4.602 -1.069 2.879 1.00 0.00 C ATOM 644 O GLN A 45 4.155 -2.211 2.788 1.00 0.00 O ATOM 645 CB GLN A 45 6.829 -0.853 4.042 1.00 0.00 C ATOM 646 CG GLN A 45 8.225 -1.459 3.886 1.00 0.00 C ATOM 647 CD GLN A 45 9.173 -0.937 4.967 1.00 0.00 C ATOM 648 OE1 GLN A 45 8.769 -0.320 5.939 1.00 0.00 O ATOM 649 NE2 GLN A 45 10.454 -1.219 4.746 1.00 0.00 N ATOM 0 H GLN A 45 6.712 1.198 2.629 1.00 0.00 H new ATOM 0 HA GLN A 45 6.513 -1.590 2.068 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.910 0.153 4.453 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.250 -1.442 4.753 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.162 -2.546 3.946 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.623 -1.216 2.901 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.725 -1.740 3.912 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.165 -0.915 5.411 1.00 0.00 H new ATOM 658 N GLN A 46 3.869 0.006 3.130 1.00 0.00 N ATOM 659 CA GLN A 46 2.433 -0.096 3.323 1.00 0.00 C ATOM 660 C GLN A 46 1.756 -0.570 2.036 1.00 0.00 C ATOM 661 O GLN A 46 1.013 -1.550 2.045 1.00 0.00 O ATOM 662 CB GLN A 46 1.847 1.238 3.792 1.00 0.00 C ATOM 663 CG GLN A 46 2.194 1.505 5.258 1.00 0.00 C ATOM 664 CD GLN A 46 1.491 2.765 5.767 1.00 0.00 C ATOM 665 OE1 GLN A 46 0.984 3.573 5.007 1.00 0.00 O ATOM 666 NE2 GLN A 46 1.491 2.886 7.091 1.00 0.00 N ATOM 0 H GLN A 46 4.243 0.952 3.204 1.00 0.00 H new ATOM 0 HA GLN A 46 2.243 -0.834 4.103 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.232 2.047 3.171 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.764 1.227 3.667 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.901 0.650 5.866 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.273 1.618 5.365 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.934 2.172 7.668 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.048 3.693 7.529 1.00 0.00 H new ATOM 675 N ARG A 47 2.039 0.147 0.958 1.00 0.00 N ATOM 676 CA ARG A 47 1.467 -0.188 -0.335 1.00 0.00 C ATOM 677 C ARG A 47 1.715 -1.662 -0.659 1.00 0.00 C ATOM 678 O ARG A 47 0.804 -2.370 -1.085 1.00 0.00 O ATOM 679 CB ARG A 47 2.066 0.679 -1.444 1.00 0.00 C ATOM 680 CG ARG A 47 1.103 1.797 -1.847 1.00 0.00 C ATOM 681 CD ARG A 47 1.350 2.241 -3.290 1.00 0.00 C ATOM 682 NE ARG A 47 2.292 3.383 -3.314 1.00 0.00 N ATOM 683 CZ ARG A 47 3.626 3.257 -3.308 1.00 0.00 C ATOM 684 NH1 ARG A 47 4.184 2.039 -3.279 1.00 0.00 N ATOM 685 NH2 ARG A 47 4.402 4.349 -3.331 1.00 0.00 N ATOM 0 H ARG A 47 2.657 0.959 0.954 1.00 0.00 H new ATOM 0 HA ARG A 47 0.395 0.000 -0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.008 1.110 -1.105 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.293 0.060 -2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.075 1.452 -1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.225 2.647 -1.175 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.756 1.412 -3.870 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.408 2.526 -3.758 1.00 0.00 H new ATOM 0 HE ARG A 47 1.901 4.325 -3.337 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.593 1.208 -3.262 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.199 1.943 -3.274 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.977 5.276 -3.353 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.417 4.253 -3.326 1.00 0.00 H new ATOM 699 N ALA A 48 2.954 -2.082 -0.445 1.00 0.00 N ATOM 700 CA ALA A 48 3.334 -3.459 -0.709 1.00 0.00 C ATOM 701 C ALA A 48 2.641 -4.377 0.300 1.00 0.00 C ATOM 702 O ALA A 48 1.930 -5.304 -0.085 1.00 0.00 O ATOM 703 CB ALA A 48 4.858 -3.586 -0.663 1.00 0.00 C ATOM 0 H ALA A 48 3.707 -1.492 -0.092 1.00 0.00 H new ATOM 0 HA ALA A 48 3.012 -3.762 -1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.143 -4.619 -0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.300 -2.936 -1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.218 -3.293 0.323 1.00 0.00 H new ATOM 709 N VAL A 49 2.874 -4.087 1.572 1.00 0.00 N ATOM 710 CA VAL A 49 2.282 -4.875 2.639 1.00 0.00 C ATOM 711 C VAL A 49 0.840 -5.227 2.268 1.00 0.00 C ATOM 712 O VAL A 49 0.521 -6.391 2.033 1.00 0.00 O ATOM 713 CB VAL A 49 2.391 -4.124 3.967 1.00 0.00 C ATOM 714 CG1 VAL A 49 1.251 -4.510 4.912 1.00 0.00 C ATOM 715 CG2 VAL A 49 3.752 -4.365 4.623 1.00 0.00 C ATOM 0 H VAL A 49 3.465 -3.317 1.887 1.00 0.00 H new ATOM 0 HA VAL A 49 2.823 -5.813 2.766 1.00 0.00 H new ATOM 0 HB VAL A 49 2.304 -3.058 3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.353 -3.961 5.848 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.295 -4.263 4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.291 -5.581 5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.803 -3.820 5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.881 -5.431 4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.543 -4.017 3.959 1.00 0.00 H new ATOM 725 N ALA A 50 0.006 -4.198 2.227 1.00 0.00 N ATOM 726 CA ALA A 50 -1.395 -4.383 1.888 1.00 0.00 C ATOM 727 C ALA A 50 -1.504 -5.300 0.668 1.00 0.00 C ATOM 728 O ALA A 50 -2.279 -6.255 0.672 1.00 0.00 O ATOM 729 CB ALA A 50 -2.048 -3.020 1.653 1.00 0.00 C ATOM 0 H ALA A 50 0.274 -3.233 2.423 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.928 -4.862 2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.099 -3.159 1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.970 -2.418 2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.541 -2.510 0.834 1.00 0.00 H new ATOM 735 N ILE A 51 -0.715 -4.978 -0.346 1.00 0.00 N ATOM 736 CA ILE A 51 -0.712 -5.760 -1.570 1.00 0.00 C ATOM 737 C ILE A 51 -0.396 -7.220 -1.237 1.00 0.00 C ATOM 738 O ILE A 51 -1.222 -8.104 -1.459 1.00 0.00 O ATOM 739 CB ILE A 51 0.239 -5.145 -2.598 1.00 0.00 C ATOM 740 CG1 ILE A 51 -0.376 -3.898 -3.237 1.00 0.00 C ATOM 741 CG2 ILE A 51 0.658 -6.178 -3.646 1.00 0.00 C ATOM 742 CD1 ILE A 51 0.688 -3.070 -3.960 1.00 0.00 C ATOM 0 H ILE A 51 -0.073 -4.185 -0.345 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.698 -5.744 -2.033 1.00 0.00 H new ATOM 0 HB ILE A 51 1.144 -4.829 -2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.154 -4.192 -3.942 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.855 -3.290 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.334 -5.714 -4.364 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.165 -7.009 -3.155 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.226 -6.548 -4.166 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.224 -2.190 -4.405 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.451 -2.757 -3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.148 -3.673 -4.743 1.00 0.00 H new ATOM 754 N ASN A 52 0.801 -7.427 -0.708 1.00 0.00 N ATOM 755 CA ASN A 52 1.236 -8.764 -0.342 1.00 0.00 C ATOM 756 C ASN A 52 0.124 -9.460 0.445 1.00 0.00 C ATOM 757 O ASN A 52 -0.274 -10.574 0.110 1.00 0.00 O ATOM 758 CB ASN A 52 2.482 -8.714 0.545 1.00 0.00 C ATOM 759 CG ASN A 52 3.459 -9.834 0.183 1.00 0.00 C ATOM 760 OD1 ASN A 52 3.085 -10.878 -0.326 1.00 0.00 O ATOM 761 ND2 ASN A 52 4.727 -9.561 0.472 1.00 0.00 N ATOM 0 H ASN A 52 1.483 -6.691 -0.524 1.00 0.00 H new ATOM 0 HA ASN A 52 1.467 -9.306 -1.259 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.974 -7.748 0.433 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.191 -8.804 1.592 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.455 -10.245 0.268 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.972 -8.667 0.898 1.00 0.00 H new ATOM 768 N ARG A 53 -0.347 -8.774 1.476 1.00 0.00 N ATOM 769 CA ARG A 53 -1.406 -9.312 2.313 1.00 0.00 C ATOM 770 C ARG A 53 -2.545 -9.851 1.446 1.00 0.00 C ATOM 771 O ARG A 53 -2.884 -11.031 1.523 1.00 0.00 O ATOM 772 CB ARG A 53 -1.956 -8.244 3.260 1.00 0.00 C ATOM 773 CG ARG A 53 -1.423 -8.445 4.681 1.00 0.00 C ATOM 774 CD ARG A 53 -0.299 -7.453 4.989 1.00 0.00 C ATOM 775 NE ARG A 53 1.010 -8.046 4.634 1.00 0.00 N ATOM 776 CZ ARG A 53 1.650 -8.956 5.381 1.00 0.00 C ATOM 777 NH1 ARG A 53 1.106 -9.384 6.529 1.00 0.00 N ATOM 778 NH2 ARG A 53 2.834 -9.439 4.981 1.00 0.00 N ATOM 0 H ARG A 53 -0.014 -7.850 1.751 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.981 -10.122 2.906 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.676 -7.254 2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.045 -8.285 3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.233 -8.317 5.399 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.055 -9.465 4.795 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.453 -6.530 4.429 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.314 -7.191 6.047 1.00 0.00 H new ATOM 0 HE ARG A 53 1.453 -7.743 3.766 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.205 -9.017 6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.593 -10.077 7.097 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.249 -9.114 4.108 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.321 -10.132 5.550 1.00 0.00 H new ATOM 792 N LEU A 54 -3.106 -8.960 0.641 1.00 0.00 N ATOM 793 CA LEU A 54 -4.200 -9.332 -0.240 1.00 0.00 C ATOM 794 C LEU A 54 -3.792 -10.552 -1.067 1.00 0.00 C ATOM 795 O LEU A 54 -4.548 -11.517 -1.172 1.00 0.00 O ATOM 796 CB LEU A 54 -4.637 -8.134 -1.085 1.00 0.00 C ATOM 797 CG LEU A 54 -5.264 -6.966 -0.321 1.00 0.00 C ATOM 798 CD1 LEU A 54 -5.355 -5.719 -1.203 1.00 0.00 C ATOM 799 CD2 LEU A 54 -6.623 -7.357 0.261 1.00 0.00 C ATOM 0 H LEU A 54 -2.823 -7.982 0.581 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.076 -9.620 0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.768 -7.762 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.354 -8.482 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.614 -6.720 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.804 -4.904 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.355 -5.428 -1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.970 -5.935 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.046 -6.509 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.295 -7.646 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.498 -8.195 0.947 1.00 0.00 H new ATOM 811 N LEU A 55 -2.597 -10.470 -1.633 1.00 0.00 N ATOM 812 CA LEU A 55 -2.079 -11.557 -2.448 1.00 0.00 C ATOM 813 C LEU A 55 -2.201 -12.871 -1.675 1.00 0.00 C ATOM 814 O LEU A 55 -2.710 -13.860 -2.201 1.00 0.00 O ATOM 815 CB LEU A 55 -0.655 -11.246 -2.912 1.00 0.00 C ATOM 816 CG LEU A 55 -0.511 -10.103 -3.919 1.00 0.00 C ATOM 817 CD1 LEU A 55 0.961 -9.748 -4.139 1.00 0.00 C ATOM 818 CD2 LEU A 55 -1.223 -10.435 -5.231 1.00 0.00 C ATOM 0 H LEU A 55 -1.973 -9.668 -1.544 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.669 -11.666 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.052 -11.009 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.233 -12.149 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.996 -9.220 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.035 -8.933 -4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.406 -9.438 -3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.492 -10.619 -4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.105 -9.606 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.789 -11.337 -5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.283 -10.599 -5.038 1.00 0.00 H new ATOM 830 N SER A 56 -1.726 -12.840 -0.439 1.00 0.00 N ATOM 831 CA SER A 56 -1.776 -14.017 0.412 1.00 0.00 C ATOM 832 C SER A 56 -3.223 -14.314 0.810 1.00 0.00 C ATOM 833 O SER A 56 -3.735 -15.399 0.539 1.00 0.00 O ATOM 834 CB SER A 56 -0.909 -13.832 1.659 1.00 0.00 C ATOM 835 OG SER A 56 -1.262 -14.746 2.694 1.00 0.00 O ATOM 0 H SER A 56 -1.304 -12.018 -0.006 1.00 0.00 H new ATOM 0 HA SER A 56 -1.380 -14.863 -0.150 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.140 -13.970 1.395 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.014 -12.811 2.026 1.00 0.00 H new ATOM 0 HG SER A 56 -0.685 -14.597 3.472 1.00 0.00 H new ATOM 841 N MET A 57 -3.841 -13.331 1.447 1.00 0.00 N ATOM 842 CA MET A 57 -5.219 -13.473 1.886 1.00 0.00 C ATOM 843 C MET A 57 -6.040 -14.265 0.866 1.00 0.00 C ATOM 844 O MET A 57 -6.839 -15.123 1.239 1.00 0.00 O ATOM 845 CB MET A 57 -5.840 -12.088 2.076 1.00 0.00 C ATOM 846 CG MET A 57 -5.240 -11.380 3.293 1.00 0.00 C ATOM 847 SD MET A 57 -6.541 -10.693 4.303 1.00 0.00 S ATOM 848 CE MET A 57 -6.002 -8.994 4.391 1.00 0.00 C ATOM 0 H MET A 57 -3.413 -12.432 1.670 1.00 0.00 H new ATOM 0 HA MET A 57 -5.225 -14.016 2.831 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.675 -11.486 1.183 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.919 -12.183 2.201 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.648 -12.084 3.878 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.565 -10.589 2.967 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.249 -8.584 5.370 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.924 -8.946 4.239 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.504 -8.413 3.617 1.00 0.00 H new ATOM 858 N GLY A 58 -5.815 -13.949 -0.401 1.00 0.00 N ATOM 859 CA GLY A 58 -6.524 -14.621 -1.477 1.00 0.00 C ATOM 860 C GLY A 58 -7.627 -13.727 -2.048 1.00 0.00 C ATOM 861 O GLY A 58 -8.573 -14.218 -2.661 1.00 0.00 O ATOM 0 H GLY A 58 -5.152 -13.237 -0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.823 -14.890 -2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.959 -15.550 -1.107 1.00 0.00 H new ATOM 865 N GLN A 59 -7.467 -12.430 -1.827 1.00 0.00 N ATOM 866 CA GLN A 59 -8.437 -11.464 -2.313 1.00 0.00 C ATOM 867 C GLN A 59 -7.913 -10.773 -3.573 1.00 0.00 C ATOM 868 O GLN A 59 -8.690 -10.410 -4.455 1.00 0.00 O ATOM 869 CB GLN A 59 -8.781 -10.440 -1.229 1.00 0.00 C ATOM 870 CG GLN A 59 -9.378 -11.125 0.002 1.00 0.00 C ATOM 871 CD GLN A 59 -10.750 -10.538 0.344 1.00 0.00 C ATOM 872 OE1 GLN A 59 -11.752 -10.827 -0.288 1.00 0.00 O ATOM 873 NE2 GLN A 59 -10.738 -9.702 1.378 1.00 0.00 N ATOM 0 H GLN A 59 -6.681 -12.026 -1.318 1.00 0.00 H new ATOM 0 HA GLN A 59 -9.353 -11.996 -2.569 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.884 -9.891 -0.945 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.489 -9.711 -1.624 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.472 -12.195 -0.182 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.705 -11.006 0.851 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.863 -9.504 1.863 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.604 -9.259 1.686 1.00 0.00 H new ATOM 882 N LEU A 60 -6.599 -10.611 -3.618 1.00 0.00 N ATOM 883 CA LEU A 60 -5.962 -9.970 -4.755 1.00 0.00 C ATOM 884 C LEU A 60 -5.190 -11.017 -5.559 1.00 0.00 C ATOM 885 O LEU A 60 -4.630 -11.953 -4.990 1.00 0.00 O ATOM 886 CB LEU A 60 -5.102 -8.792 -4.294 1.00 0.00 C ATOM 887 CG LEU A 60 -4.247 -8.122 -5.372 1.00 0.00 C ATOM 888 CD1 LEU A 60 -5.114 -7.637 -6.536 1.00 0.00 C ATOM 889 CD2 LEU A 60 -3.401 -6.994 -4.779 1.00 0.00 C ATOM 0 H LEU A 60 -5.958 -10.913 -2.885 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.712 -9.545 -5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.758 -8.038 -3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.442 -9.139 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.557 -8.865 -5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.482 -7.165 -7.288 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.635 -8.485 -6.980 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.844 -6.915 -6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.803 -6.535 -5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.055 -6.243 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.741 -7.399 -4.012 1.00 0.00 H new ATOM 901 N ASP A 61 -5.184 -10.825 -6.870 1.00 0.00 N ATOM 902 CA ASP A 61 -4.489 -11.742 -7.758 1.00 0.00 C ATOM 903 C ASP A 61 -3.333 -11.007 -8.440 1.00 0.00 C ATOM 904 O ASP A 61 -3.508 -9.898 -8.942 1.00 0.00 O ATOM 905 CB ASP A 61 -5.425 -12.267 -8.849 1.00 0.00 C ATOM 906 CG ASP A 61 -5.570 -13.789 -8.898 1.00 0.00 C ATOM 907 OD1 ASP A 61 -5.039 -14.441 -7.973 1.00 0.00 O ATOM 908 OD2 ASP A 61 -6.208 -14.268 -9.861 1.00 0.00 O ATOM 0 H ASP A 61 -5.649 -10.048 -7.339 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.125 -12.579 -7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.412 -11.827 -8.703 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.062 -11.920 -9.816 1.00 0.00 H new ATOM 913 N LEU A 62 -2.178 -11.656 -8.436 1.00 0.00 N ATOM 914 CA LEU A 62 -0.994 -11.078 -9.048 1.00 0.00 C ATOM 915 C LEU A 62 -0.886 -11.560 -10.496 1.00 0.00 C ATOM 916 O LEU A 62 -1.129 -12.731 -10.784 1.00 0.00 O ATOM 917 CB LEU A 62 0.247 -11.381 -8.206 1.00 0.00 C ATOM 918 CG LEU A 62 1.205 -10.210 -7.977 1.00 0.00 C ATOM 919 CD1 LEU A 62 2.556 -10.701 -7.453 1.00 0.00 C ATOM 920 CD2 LEU A 62 1.354 -9.368 -9.246 1.00 0.00 C ATOM 0 H LEU A 62 -2.037 -12.576 -8.019 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.074 -9.991 -9.078 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.079 -11.753 -7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.800 -12.188 -8.687 1.00 0.00 H new ATOM 0 HG LEU A 62 0.778 -9.564 -7.210 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.218 -9.849 -7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.411 -11.224 -6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.003 -11.381 -8.179 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.040 -8.542 -9.056 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.747 -9.989 -10.051 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.381 -8.972 -9.536 1.00 0.00 H new ATOM 932 N LEU A 63 -0.522 -10.633 -11.370 1.00 0.00 N ATOM 933 CA LEU A 63 -0.379 -10.949 -12.781 1.00 0.00 C ATOM 934 C LEU A 63 0.859 -10.241 -13.335 1.00 0.00 C ATOM 935 O LEU A 63 0.844 -9.028 -13.542 1.00 0.00 O ATOM 936 CB LEU A 63 -1.667 -10.617 -13.537 1.00 0.00 C ATOM 937 CG LEU A 63 -2.487 -11.815 -14.022 1.00 0.00 C ATOM 938 CD1 LEU A 63 -3.900 -11.785 -13.437 1.00 0.00 C ATOM 939 CD2 LEU A 63 -2.501 -11.886 -15.551 1.00 0.00 C ATOM 0 H LEU A 63 -0.322 -9.663 -11.128 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.223 -12.019 -12.918 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.298 -10.008 -12.890 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.410 -10.004 -14.401 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.009 -12.726 -13.661 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.461 -12.647 -13.797 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.844 -11.818 -12.349 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.403 -10.869 -13.747 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.090 -12.746 -15.870 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.942 -10.974 -15.954 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.480 -11.989 -15.920 1.00 0.00 H new ATOM 951 N ARG A 64 1.900 -11.028 -13.560 1.00 0.00 N ATOM 952 CA ARG A 64 3.144 -10.491 -14.086 1.00 0.00 C ATOM 953 C ARG A 64 3.045 -10.312 -15.602 1.00 0.00 C ATOM 954 O ARG A 64 3.053 -11.289 -16.349 1.00 0.00 O ATOM 955 CB ARG A 64 4.322 -11.414 -13.765 1.00 0.00 C ATOM 956 CG ARG A 64 4.464 -11.615 -12.255 1.00 0.00 C ATOM 957 CD ARG A 64 4.006 -13.015 -11.843 1.00 0.00 C ATOM 958 NE ARG A 64 5.042 -14.011 -12.195 1.00 0.00 N ATOM 959 CZ ARG A 64 4.854 -15.337 -12.158 1.00 0.00 C ATOM 960 NH1 ARG A 64 3.667 -15.835 -11.785 1.00 0.00 N ATOM 961 NH2 ARG A 64 5.852 -16.166 -12.494 1.00 0.00 N ATOM 0 H ARG A 64 1.908 -12.033 -13.388 1.00 0.00 H new ATOM 0 HA ARG A 64 3.315 -9.524 -13.612 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.177 -12.378 -14.252 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.242 -10.989 -14.167 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.503 -11.467 -11.961 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.874 -10.866 -11.728 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.813 -13.042 -10.771 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.069 -13.261 -12.342 1.00 0.00 H new ATOM 0 HE ARG A 64 5.957 -13.666 -12.484 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.907 -15.205 -11.529 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.524 -16.844 -11.757 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.756 -15.788 -12.778 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.708 -17.175 -12.466 1.00 0.00 H new ATOM 975 N SER A 65 2.955 -9.055 -16.013 1.00 0.00 N ATOM 976 CA SER A 65 2.854 -8.735 -17.426 1.00 0.00 C ATOM 977 C SER A 65 3.429 -7.341 -17.689 1.00 0.00 C ATOM 978 O SER A 65 3.244 -6.428 -16.886 1.00 0.00 O ATOM 979 CB SER A 65 1.404 -8.811 -17.907 1.00 0.00 C ATOM 980 OG SER A 65 1.301 -9.386 -19.206 1.00 0.00 O ATOM 0 H SER A 65 2.950 -8.246 -15.391 1.00 0.00 H new ATOM 0 HA SER A 65 3.432 -9.471 -17.985 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.819 -9.402 -17.202 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.973 -7.810 -17.919 1.00 0.00 H new ATOM 0 HG SER A 65 0.359 -9.418 -19.476 1.00 0.00 H new ATOM 986 N ASN A 66 4.113 -7.221 -18.817 1.00 0.00 N ATOM 987 CA ASN A 66 4.716 -5.955 -19.196 1.00 0.00 C ATOM 988 C ASN A 66 5.532 -5.411 -18.021 1.00 0.00 C ATOM 989 O ASN A 66 5.690 -6.087 -17.006 1.00 0.00 O ATOM 990 CB ASN A 66 3.645 -4.919 -19.547 1.00 0.00 C ATOM 991 CG ASN A 66 3.370 -4.904 -21.052 1.00 0.00 C ATOM 992 OD1 ASN A 66 3.563 -5.883 -21.755 1.00 0.00 O ATOM 993 ND2 ASN A 66 2.908 -3.743 -21.506 1.00 0.00 N ATOM 0 H ASN A 66 4.263 -7.980 -19.481 1.00 0.00 H new ATOM 0 HA ASN A 66 5.349 -6.130 -20.066 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.725 -5.145 -19.008 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.970 -3.930 -19.223 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.692 -3.632 -22.497 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.769 -2.963 -20.864 1.00 0.00 H new ATOM 1000 N THR A 67 6.028 -4.196 -18.199 1.00 0.00 N ATOM 1001 CA THR A 67 6.823 -3.554 -17.166 1.00 0.00 C ATOM 1002 C THR A 67 6.054 -3.520 -15.844 1.00 0.00 C ATOM 1003 O THR A 67 5.033 -2.844 -15.733 1.00 0.00 O ATOM 1004 CB THR A 67 7.224 -2.167 -17.672 1.00 0.00 C ATOM 1005 OG1 THR A 67 8.016 -1.628 -16.616 1.00 0.00 O ATOM 1006 CG2 THR A 67 6.032 -1.212 -17.768 1.00 0.00 C ATOM 0 H THR A 67 5.895 -3.639 -19.043 1.00 0.00 H new ATOM 0 HA THR A 67 7.734 -4.117 -16.961 1.00 0.00 H new ATOM 0 HB THR A 67 7.695 -2.260 -18.651 1.00 0.00 H new ATOM 0 HG1 THR A 67 8.320 -0.729 -16.861 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.371 -0.242 -18.132 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.293 -1.620 -18.458 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.581 -1.092 -16.783 1.00 0.00 H new ATOM 1014 N GLY A 68 6.574 -4.259 -14.875 1.00 0.00 N ATOM 1015 CA GLY A 68 5.949 -4.322 -13.565 1.00 0.00 C ATOM 1016 C GLY A 68 4.936 -5.466 -13.495 1.00 0.00 C ATOM 1017 O GLY A 68 4.791 -6.231 -14.448 1.00 0.00 O ATOM 0 H GLY A 68 7.421 -4.819 -14.971 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.713 -4.461 -12.800 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.451 -3.377 -13.350 1.00 0.00 H new ATOM 1021 N LEU A 69 4.261 -5.548 -12.358 1.00 0.00 N ATOM 1022 CA LEU A 69 3.266 -6.587 -12.151 1.00 0.00 C ATOM 1023 C LEU A 69 1.869 -5.964 -12.193 1.00 0.00 C ATOM 1024 O LEU A 69 1.727 -4.745 -12.109 1.00 0.00 O ATOM 1025 CB LEU A 69 3.557 -7.359 -10.863 1.00 0.00 C ATOM 1026 CG LEU A 69 5.029 -7.459 -10.459 1.00 0.00 C ATOM 1027 CD1 LEU A 69 5.179 -8.141 -9.098 1.00 0.00 C ATOM 1028 CD2 LEU A 69 5.850 -8.159 -11.544 1.00 0.00 C ATOM 0 H LEU A 69 4.383 -4.912 -11.570 1.00 0.00 H new ATOM 0 HA LEU A 69 3.311 -7.324 -12.953 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.008 -6.887 -10.048 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.161 -8.369 -10.971 1.00 0.00 H new ATOM 0 HG LEU A 69 5.424 -6.448 -10.358 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.235 -8.199 -8.835 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.648 -7.564 -8.341 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.761 -9.147 -9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.893 -8.217 -11.231 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.462 -9.165 -11.701 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.781 -7.594 -12.474 1.00 0.00 H new ATOM 1040 N LEU A 70 0.874 -6.829 -12.322 1.00 0.00 N ATOM 1041 CA LEU A 70 -0.507 -6.379 -12.375 1.00 0.00 C ATOM 1042 C LEU A 70 -1.301 -7.051 -11.254 1.00 0.00 C ATOM 1043 O LEU A 70 -1.039 -8.201 -10.905 1.00 0.00 O ATOM 1044 CB LEU A 70 -1.092 -6.612 -13.769 1.00 0.00 C ATOM 1045 CG LEU A 70 -2.616 -6.528 -13.879 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -3.038 -5.962 -15.236 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -3.261 -7.887 -13.599 1.00 0.00 C ATOM 0 H LEU A 70 0.996 -7.839 -12.391 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.565 -5.304 -12.206 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.657 -5.881 -14.451 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.776 -7.597 -14.114 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.976 -5.837 -13.117 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.126 -5.913 -15.288 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.624 -4.961 -15.358 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.666 -6.608 -16.031 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.344 -7.800 -13.684 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.898 -8.618 -14.322 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.001 -8.213 -12.592 1.00 0.00 H new ATOM 1059 N TYR A 71 -2.257 -6.305 -10.720 1.00 0.00 N ATOM 1060 CA TYR A 71 -3.092 -6.814 -9.645 1.00 0.00 C ATOM 1061 C TYR A 71 -4.576 -6.693 -9.999 1.00 0.00 C ATOM 1062 O TYR A 71 -5.060 -5.602 -10.294 1.00 0.00 O ATOM 1063 CB TYR A 71 -2.797 -5.935 -8.429 1.00 0.00 C ATOM 1064 CG TYR A 71 -1.305 -5.757 -8.136 1.00 0.00 C ATOM 1065 CD1 TYR A 71 -0.510 -6.863 -7.913 1.00 0.00 C ATOM 1066 CD2 TYR A 71 -0.756 -4.492 -8.096 1.00 0.00 C ATOM 1067 CE1 TYR A 71 0.893 -6.696 -7.637 1.00 0.00 C ATOM 1068 CE2 TYR A 71 0.648 -4.326 -7.821 1.00 0.00 C ATOM 1069 CZ TYR A 71 1.403 -5.436 -7.605 1.00 0.00 C ATOM 1070 OH TYR A 71 2.729 -5.278 -7.345 1.00 0.00 O ATOM 0 H TYR A 71 -2.472 -5.352 -11.012 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.880 -7.867 -9.461 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.246 -4.954 -8.585 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.279 -6.370 -7.554 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.940 -7.853 -7.946 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.378 -3.627 -8.271 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.526 -7.553 -7.459 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.091 -3.342 -7.787 1.00 0.00 H new ATOM 0 HH TYR A 71 2.953 -4.324 -7.355 1.00 0.00 H new ATOM 1080 N ARG A 72 -5.255 -7.830 -9.958 1.00 0.00 N ATOM 1081 CA ARG A 72 -6.674 -7.865 -10.271 1.00 0.00 C ATOM 1082 C ARG A 72 -7.435 -8.646 -9.198 1.00 0.00 C ATOM 1083 O ARG A 72 -6.832 -9.171 -8.263 1.00 0.00 O ATOM 1084 CB ARG A 72 -6.922 -8.512 -11.635 1.00 0.00 C ATOM 1085 CG ARG A 72 -6.533 -9.992 -11.618 1.00 0.00 C ATOM 1086 CD ARG A 72 -7.248 -10.759 -12.733 1.00 0.00 C ATOM 1087 NE ARG A 72 -7.743 -12.055 -12.217 1.00 0.00 N ATOM 1088 CZ ARG A 72 -7.986 -13.126 -12.986 1.00 0.00 C ATOM 1089 NH1 ARG A 72 -7.781 -13.061 -14.309 1.00 0.00 N ATOM 1090 NH2 ARG A 72 -8.434 -14.261 -12.432 1.00 0.00 N ATOM 0 H ARG A 72 -4.849 -8.733 -9.713 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.032 -6.836 -10.299 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.974 -8.412 -11.903 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.347 -7.990 -12.399 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.454 -10.090 -11.738 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.787 -10.427 -10.651 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.080 -10.169 -13.116 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.566 -10.926 -13.566 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.910 -12.138 -11.214 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.440 -12.197 -14.730 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.966 -13.876 -14.894 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.590 -14.310 -11.425 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.619 -15.076 -13.017 1.00 0.00 H new ATOM 1104 N ILE A 73 -8.748 -8.698 -9.368 1.00 0.00 N ATOM 1105 CA ILE A 73 -9.597 -9.406 -8.426 1.00 0.00 C ATOM 1106 C ILE A 73 -9.369 -10.912 -8.572 1.00 0.00 C ATOM 1107 O ILE A 73 -9.429 -11.448 -9.678 1.00 0.00 O ATOM 1108 CB ILE A 73 -11.058 -8.986 -8.600 1.00 0.00 C ATOM 1109 CG1 ILE A 73 -11.503 -8.066 -7.462 1.00 0.00 C ATOM 1110 CG2 ILE A 73 -11.968 -10.208 -8.738 1.00 0.00 C ATOM 1111 CD1 ILE A 73 -11.229 -8.706 -6.100 1.00 0.00 C ATOM 0 H ILE A 73 -9.244 -8.261 -10.145 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.333 -9.141 -7.402 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.141 -8.417 -9.526 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.977 -7.114 -7.533 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.567 -7.850 -7.559 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.001 -9.881 -8.860 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.666 -10.790 -9.609 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.887 -10.825 -7.843 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.555 -8.031 -5.309 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.776 -9.646 -6.023 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.161 -8.898 -5.996 1.00 0.00 H new ATOM 1123 N LYS A 74 -9.112 -11.552 -7.441 1.00 0.00 N ATOM 1124 CA LYS A 74 -8.875 -12.986 -7.429 1.00 0.00 C ATOM 1125 C LYS A 74 -10.104 -13.706 -7.985 1.00 0.00 C ATOM 1126 O LYS A 74 -11.234 -13.269 -7.771 1.00 0.00 O ATOM 1127 CB LYS A 74 -8.470 -13.451 -6.029 1.00 0.00 C ATOM 1128 CG LYS A 74 -7.648 -14.740 -6.095 1.00 0.00 C ATOM 1129 CD LYS A 74 -6.480 -14.696 -5.109 1.00 0.00 C ATOM 1130 CE LYS A 74 -6.127 -16.100 -4.615 1.00 0.00 C ATOM 1131 NZ LYS A 74 -4.661 -16.242 -4.460 1.00 0.00 N ATOM 0 H LYS A 74 -9.063 -11.104 -6.526 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.036 -13.239 -8.078 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.890 -12.671 -5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.362 -13.615 -5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.286 -15.595 -5.870 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.269 -14.883 -7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.611 -14.246 -5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.739 -14.062 -4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.620 -16.291 -3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.498 -16.844 -5.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.439 -17.201 -4.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.198 -16.080 -5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.316 -15.545 -3.770 1.00 0.00 H new ATOM 1145 N ASP A 75 -9.843 -14.799 -8.688 1.00 0.00 N ATOM 1146 CA ASP A 75 -10.915 -15.584 -9.276 1.00 0.00 C ATOM 1147 C ASP A 75 -11.977 -15.868 -8.212 1.00 0.00 C ATOM 1148 O ASP A 75 -11.647 -16.190 -7.071 1.00 0.00 O ATOM 1149 CB ASP A 75 -10.394 -16.926 -9.794 1.00 0.00 C ATOM 1150 CG ASP A 75 -9.635 -16.857 -11.121 1.00 0.00 C ATOM 1151 OD1 ASP A 75 -10.092 -16.091 -11.997 1.00 0.00 O ATOM 1152 OD2 ASP A 75 -8.616 -17.572 -11.230 1.00 0.00 O ATOM 0 H ASP A 75 -8.905 -15.159 -8.863 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.334 -15.015 -10.106 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -9.738 -17.359 -9.039 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -11.238 -17.606 -9.911 1.00 0.00 H new ATOM 1157 N SER A 76 -13.230 -15.739 -8.622 1.00 0.00 N ATOM 1158 CA SER A 76 -14.342 -15.977 -7.718 1.00 0.00 C ATOM 1159 C SER A 76 -14.878 -17.397 -7.912 1.00 0.00 C ATOM 1160 O SER A 76 -14.892 -18.192 -6.973 1.00 0.00 O ATOM 1161 CB SER A 76 -15.458 -14.954 -7.936 1.00 0.00 C ATOM 1162 OG SER A 76 -16.658 -15.321 -7.260 1.00 0.00 O ATOM 0 H SER A 76 -13.500 -15.473 -9.569 1.00 0.00 H new ATOM 0 HA SER A 76 -13.981 -15.868 -6.695 1.00 0.00 H new ATOM 0 HB2 SER A 76 -15.128 -13.977 -7.584 1.00 0.00 H new ATOM 0 HB3 SER A 76 -15.658 -14.857 -9.003 1.00 0.00 H new ATOM 0 HG SER A 76 -17.346 -14.642 -7.423 1.00 0.00 H new ATOM 1168 N GLY A 77 -15.306 -17.672 -9.135 1.00 0.00 N ATOM 1169 CA GLY A 77 -15.842 -18.982 -9.463 1.00 0.00 C ATOM 1170 C GLY A 77 -15.236 -19.512 -10.765 1.00 0.00 C ATOM 1171 O GLY A 77 -14.797 -18.734 -11.611 1.00 0.00 O ATOM 0 H GLY A 77 -15.293 -17.010 -9.911 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -15.633 -19.678 -8.651 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.926 -18.921 -9.560 1.00 0.00 H new ATOM 1175 N PRO A 78 -15.232 -20.866 -10.887 1.00 0.00 N ATOM 1176 CA PRO A 78 -14.687 -21.509 -12.071 1.00 0.00 C ATOM 1177 C PRO A 78 -15.642 -21.370 -13.259 1.00 0.00 C ATOM 1178 O PRO A 78 -15.260 -20.859 -14.310 1.00 0.00 O ATOM 1179 CB PRO A 78 -14.455 -22.954 -11.662 1.00 0.00 C ATOM 1180 CG PRO A 78 -15.304 -23.178 -10.422 1.00 0.00 C ATOM 1181 CD PRO A 78 -15.744 -21.818 -9.905 1.00 0.00 C ATOM 0 HA PRO A 78 -13.758 -21.050 -12.409 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -14.743 -23.637 -12.461 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.401 -23.136 -11.452 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.171 -23.795 -10.659 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.734 -23.710 -9.660 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -16.829 -21.757 -9.823 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -15.338 -21.621 -8.913 1.00 0.00 H new ATOM 1189 N SER A 79 -16.866 -21.834 -13.051 1.00 0.00 N ATOM 1190 CA SER A 79 -17.878 -21.767 -14.091 1.00 0.00 C ATOM 1191 C SER A 79 -19.204 -21.285 -13.501 1.00 0.00 C ATOM 1192 O SER A 79 -19.602 -21.720 -12.421 1.00 0.00 O ATOM 1193 CB SER A 79 -18.062 -23.127 -14.768 1.00 0.00 C ATOM 1194 OG SER A 79 -17.110 -23.340 -15.807 1.00 0.00 O ATOM 0 H SER A 79 -17.179 -22.258 -12.178 1.00 0.00 H new ATOM 0 HA SER A 79 -17.545 -21.056 -14.847 1.00 0.00 H new ATOM 0 HB2 SER A 79 -17.969 -23.918 -14.024 1.00 0.00 H new ATOM 0 HB3 SER A 79 -19.069 -23.194 -15.180 1.00 0.00 H new ATOM 0 HG SER A 79 -17.260 -24.219 -16.213 1.00 0.00 H new ATOM 1200 N SER A 80 -19.852 -20.392 -14.235 1.00 0.00 N ATOM 1201 CA SER A 80 -21.125 -19.845 -13.797 1.00 0.00 C ATOM 1202 C SER A 80 -20.935 -19.041 -12.509 1.00 0.00 C ATOM 1203 O SER A 80 -19.991 -19.281 -11.758 1.00 0.00 O ATOM 1204 CB SER A 80 -22.156 -20.954 -13.583 1.00 0.00 C ATOM 1205 OG SER A 80 -23.313 -20.772 -14.395 1.00 0.00 O ATOM 0 H SER A 80 -19.519 -20.034 -15.130 1.00 0.00 H new ATOM 0 HA SER A 80 -21.499 -19.183 -14.578 1.00 0.00 H new ATOM 0 HB2 SER A 80 -21.703 -21.919 -13.809 1.00 0.00 H new ATOM 0 HB3 SER A 80 -22.450 -20.978 -12.534 1.00 0.00 H new ATOM 0 HG SER A 80 -23.946 -21.502 -14.230 1.00 0.00 H new ATOM 1211 N GLY A 81 -21.846 -18.104 -12.294 1.00 0.00 N ATOM 1212 CA GLY A 81 -21.790 -17.264 -11.110 1.00 0.00 C ATOM 1213 C GLY A 81 -21.910 -15.784 -11.482 1.00 0.00 C ATOM 1214 O GLY A 81 -21.271 -14.932 -10.867 1.00 0.00 O ATOM 0 H GLY A 81 -22.627 -17.908 -12.920 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -22.594 -17.538 -10.427 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -20.852 -17.435 -10.582 1.00 0.00 H new TER 1218 GLY A 81