USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 559 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+ -132:sc= 0.037 (180deg=0) USER MOD Single : A 2 SER OG : rot 35:sc= 1.12 USER MOD Single : A 3 SER OG : rot 31:sc= 0.677 USER MOD Single : A 5 SER OG : rot 5:sc= 0.317 USER MOD Single : A 6 SER OG : rot 13:sc= 1.24 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 106:sc= 0.542 USER MOD Single : A 19 HIS : no HD1:sc= -0.482 X(o=-0.48,f=-0.16) USER MOD Single : A 21 THR OG1 : rot 105:sc= 1.05 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc=-0.00907 X(o=-0.0091,f=-0.0091) USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= -0.0155 (180deg=-0.149) USER MOD Single : A 49 GLN : amide:sc= -1.39 K(o=-1.4,f=-5.3!) USER MOD Single : A 60 SER OG : rot -38:sc= 0.219 USER MOD Single : A 67 ASN : amide:sc= -3.22! C(o=-3.2!,f=-12!) USER MOD Single : A 68 GLN : amide:sc= -2.99! C(o=-3!,f=-3.2!) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0337 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 26.210 -1.230 -14.423 1.00 0.00 N ATOM 2 CA GLY A 1 25.010 -0.939 -15.185 1.00 0.00 C ATOM 3 C GLY A 1 23.743 -1.225 -14.403 1.00 0.00 C ATOM 4 O GLY A 1 23.742 -1.184 -13.173 1.00 0.00 O ATOM 0 H1 GLY A 1 26.869 -0.429 -14.494 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.959 -1.384 -13.426 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.663 -2.086 -14.802 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.019 0.109 -15.485 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.011 -1.533 -16.099 1.00 0.00 H new ATOM 8 N SER A 2 22.661 -1.514 -15.118 1.00 0.00 N ATOM 9 CA SER A 2 21.380 -1.802 -14.483 1.00 0.00 C ATOM 10 C SER A 2 20.418 -2.455 -15.472 1.00 0.00 C ATOM 11 O SER A 2 20.022 -1.844 -16.465 1.00 0.00 O ATOM 12 CB SER A 2 20.762 -0.518 -13.926 1.00 0.00 C ATOM 13 OG SER A 2 21.236 -0.251 -12.617 1.00 0.00 O ATOM 0 H SER A 2 22.645 -1.555 -16.137 1.00 0.00 H new ATOM 0 HA SER A 2 21.558 -2.497 -13.662 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.002 0.319 -14.581 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.676 -0.610 -13.911 1.00 0.00 H new ATOM 0 HG SER A 2 22.172 -0.531 -12.545 1.00 0.00 H new ATOM 19 N SER A 3 20.046 -3.700 -15.192 1.00 0.00 N ATOM 20 CA SER A 3 19.134 -4.438 -16.057 1.00 0.00 C ATOM 21 C SER A 3 18.466 -5.578 -15.295 1.00 0.00 C ATOM 22 O SER A 3 18.927 -5.981 -14.228 1.00 0.00 O ATOM 23 CB SER A 3 19.884 -4.991 -17.271 1.00 0.00 C ATOM 24 OG SER A 3 19.966 -4.025 -18.304 1.00 0.00 O ATOM 0 H SER A 3 20.362 -4.219 -14.373 1.00 0.00 H new ATOM 0 HA SER A 3 18.360 -3.750 -16.399 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.887 -5.296 -16.974 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.376 -5.882 -17.641 1.00 0.00 H new ATOM 0 HG SER A 3 19.999 -3.128 -17.911 1.00 0.00 H new ATOM 30 N GLY A 4 17.374 -6.094 -15.853 1.00 0.00 N ATOM 31 CA GLY A 4 16.658 -7.182 -15.213 1.00 0.00 C ATOM 32 C GLY A 4 15.181 -7.183 -15.552 1.00 0.00 C ATOM 33 O GLY A 4 14.614 -6.144 -15.888 1.00 0.00 O ATOM 0 H GLY A 4 16.973 -5.778 -16.736 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.098 -8.131 -15.518 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.779 -7.107 -14.132 1.00 0.00 H new ATOM 37 N SER A 5 14.556 -8.353 -15.466 1.00 0.00 N ATOM 38 CA SER A 5 13.136 -8.486 -15.771 1.00 0.00 C ATOM 39 C SER A 5 12.514 -9.630 -14.977 1.00 0.00 C ATOM 40 O SER A 5 13.204 -10.337 -14.241 1.00 0.00 O ATOM 41 CB SER A 5 12.935 -8.722 -17.269 1.00 0.00 C ATOM 42 OG SER A 5 13.241 -7.556 -18.015 1.00 0.00 O ATOM 0 H SER A 5 15.011 -9.223 -15.188 1.00 0.00 H new ATOM 0 HA SER A 5 12.640 -7.558 -15.486 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.569 -9.545 -17.599 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.903 -9.018 -17.458 1.00 0.00 H new ATOM 0 HG SER A 5 13.597 -6.868 -17.415 1.00 0.00 H new ATOM 48 N SER A 6 11.206 -9.806 -15.130 1.00 0.00 N ATOM 49 CA SER A 6 10.488 -10.862 -14.425 1.00 0.00 C ATOM 50 C SER A 6 9.102 -11.072 -15.027 1.00 0.00 C ATOM 51 O SER A 6 8.576 -10.204 -15.721 1.00 0.00 O ATOM 52 CB SER A 6 10.365 -10.518 -12.939 1.00 0.00 C ATOM 53 OG SER A 6 11.556 -10.837 -12.241 1.00 0.00 O ATOM 0 H SER A 6 10.621 -9.231 -15.736 1.00 0.00 H new ATOM 0 HA SER A 6 11.054 -11.787 -14.531 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.147 -9.456 -12.825 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.528 -11.064 -12.504 1.00 0.00 H new ATOM 0 HG SER A 6 12.275 -11.010 -12.884 1.00 0.00 H new ATOM 59 N GLY A 7 8.516 -12.235 -14.755 1.00 0.00 N ATOM 60 CA GLY A 7 7.197 -12.540 -15.277 1.00 0.00 C ATOM 61 C GLY A 7 6.307 -11.316 -15.355 1.00 0.00 C ATOM 62 O GLY A 7 6.369 -10.439 -14.493 1.00 0.00 O ATOM 0 H GLY A 7 8.931 -12.970 -14.183 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.295 -12.978 -16.270 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.723 -13.290 -14.643 1.00 0.00 H new ATOM 66 N ASP A 8 5.477 -11.255 -16.391 1.00 0.00 N ATOM 67 CA ASP A 8 4.570 -10.128 -16.579 1.00 0.00 C ATOM 68 C ASP A 8 3.178 -10.458 -16.051 1.00 0.00 C ATOM 69 O ASP A 8 2.323 -10.946 -16.790 1.00 0.00 O ATOM 70 CB ASP A 8 4.493 -9.750 -18.059 1.00 0.00 C ATOM 71 CG ASP A 8 5.748 -9.053 -18.545 1.00 0.00 C ATOM 72 OD1 ASP A 8 6.338 -8.281 -17.761 1.00 0.00 O ATOM 73 OD2 ASP A 8 6.139 -9.278 -19.710 1.00 0.00 O ATOM 0 H ASP A 8 5.413 -11.972 -17.113 1.00 0.00 H new ATOM 0 HA ASP A 8 4.960 -9.280 -16.016 1.00 0.00 H new ATOM 0 HB2 ASP A 8 4.328 -10.649 -18.652 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.634 -9.099 -18.220 1.00 0.00 H new ATOM 78 N SER A 9 2.957 -10.190 -14.768 1.00 0.00 N ATOM 79 CA SER A 9 1.670 -10.462 -14.140 1.00 0.00 C ATOM 80 C SER A 9 1.295 -9.351 -13.165 1.00 0.00 C ATOM 81 O SER A 9 2.013 -9.089 -12.200 1.00 0.00 O ATOM 82 CB SER A 9 1.710 -11.806 -13.409 1.00 0.00 C ATOM 83 OG SER A 9 1.813 -12.882 -14.326 1.00 0.00 O ATOM 0 H SER A 9 3.653 -9.784 -14.143 1.00 0.00 H new ATOM 0 HA SER A 9 0.913 -10.504 -14.923 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.557 -11.826 -12.724 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.809 -11.923 -12.806 1.00 0.00 H new ATOM 0 HG SER A 9 1.838 -13.729 -13.834 1.00 0.00 H new ATOM 89 N ILE A 10 0.165 -8.701 -13.424 1.00 0.00 N ATOM 90 CA ILE A 10 -0.306 -7.619 -12.569 1.00 0.00 C ATOM 91 C ILE A 10 -1.430 -8.092 -11.653 1.00 0.00 C ATOM 92 O ILE A 10 -2.488 -8.516 -12.118 1.00 0.00 O ATOM 93 CB ILE A 10 -0.806 -6.422 -13.400 1.00 0.00 C ATOM 94 CG1 ILE A 10 0.328 -5.862 -14.261 1.00 0.00 C ATOM 95 CG2 ILE A 10 -1.368 -5.342 -12.488 1.00 0.00 C ATOM 96 CD1 ILE A 10 -0.153 -5.025 -15.426 1.00 0.00 C ATOM 0 H ILE A 10 -0.441 -8.905 -14.219 1.00 0.00 H new ATOM 0 HA ILE A 10 0.544 -7.302 -11.964 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.603 -6.764 -14.060 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.983 -5.256 -13.635 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.927 -6.690 -14.642 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.717 -4.503 -13.090 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.201 -5.748 -11.914 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.589 -5.000 -11.806 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.705 -4.662 -15.992 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.784 -5.633 -16.074 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.727 -4.177 -15.052 1.00 0.00 H new ATOM 108 N VAL A 11 -1.194 -8.014 -10.347 1.00 0.00 N ATOM 109 CA VAL A 11 -2.187 -8.431 -9.365 1.00 0.00 C ATOM 110 C VAL A 11 -2.921 -7.229 -8.781 1.00 0.00 C ATOM 111 O VAL A 11 -2.303 -6.232 -8.409 1.00 0.00 O ATOM 112 CB VAL A 11 -1.540 -9.230 -8.218 1.00 0.00 C ATOM 113 CG1 VAL A 11 -2.607 -9.912 -7.375 1.00 0.00 C ATOM 114 CG2 VAL A 11 -0.553 -10.248 -8.769 1.00 0.00 C ATOM 0 H VAL A 11 -0.324 -7.666 -9.945 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.900 -9.070 -9.887 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.993 -8.537 -7.578 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.132 -10.472 -6.570 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.272 -9.159 -6.951 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.183 -10.594 -8.000 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.105 -10.804 -7.945 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.075 -10.939 -9.431 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.229 -9.732 -9.326 1.00 0.00 H new ATOM 124 N SER A 12 -4.244 -7.331 -8.703 1.00 0.00 N ATOM 125 CA SER A 12 -5.064 -6.251 -8.167 1.00 0.00 C ATOM 126 C SER A 12 -5.865 -6.725 -6.959 1.00 0.00 C ATOM 127 O SER A 12 -6.678 -7.643 -7.061 1.00 0.00 O ATOM 128 CB SER A 12 -6.010 -5.718 -9.245 1.00 0.00 C ATOM 129 OG SER A 12 -6.704 -6.776 -9.882 1.00 0.00 O ATOM 0 H SER A 12 -4.771 -8.151 -9.004 1.00 0.00 H new ATOM 0 HA SER A 12 -4.400 -5.448 -7.847 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.725 -5.028 -8.797 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.442 -5.154 -9.985 1.00 0.00 H new ATOM 0 HG SER A 12 -7.635 -6.788 -9.576 1.00 0.00 H new ATOM 135 N ALA A 13 -5.630 -6.092 -5.815 1.00 0.00 N ATOM 136 CA ALA A 13 -6.330 -6.447 -4.587 1.00 0.00 C ATOM 137 C ALA A 13 -7.314 -5.355 -4.181 1.00 0.00 C ATOM 138 O ALA A 13 -7.272 -4.243 -4.706 1.00 0.00 O ATOM 139 CB ALA A 13 -5.334 -6.705 -3.466 1.00 0.00 C ATOM 0 H ALA A 13 -4.960 -5.330 -5.713 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.896 -7.360 -4.772 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.872 -6.969 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.673 -7.525 -3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.743 -5.806 -3.291 1.00 0.00 H new ATOM 145 N GLU A 14 -8.199 -5.680 -3.244 1.00 0.00 N ATOM 146 CA GLU A 14 -9.194 -4.726 -2.770 1.00 0.00 C ATOM 147 C GLU A 14 -9.186 -4.642 -1.246 1.00 0.00 C ATOM 148 O GLU A 14 -9.318 -5.654 -0.558 1.00 0.00 O ATOM 149 CB GLU A 14 -10.588 -5.122 -3.262 1.00 0.00 C ATOM 150 CG GLU A 14 -11.712 -4.341 -2.601 1.00 0.00 C ATOM 151 CD GLU A 14 -13.077 -4.946 -2.865 1.00 0.00 C ATOM 152 OE1 GLU A 14 -13.237 -5.618 -3.905 1.00 0.00 O ATOM 153 OE2 GLU A 14 -13.984 -4.747 -2.031 1.00 0.00 O ATOM 0 H GLU A 14 -8.247 -6.596 -2.798 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.939 -3.745 -3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.639 -4.973 -4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.740 -6.186 -3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.538 -4.301 -1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.698 -3.313 -2.964 1.00 0.00 H new ATOM 160 N ALA A 15 -9.028 -3.429 -0.727 1.00 0.00 N ATOM 161 CA ALA A 15 -9.003 -3.213 0.714 1.00 0.00 C ATOM 162 C ALA A 15 -10.248 -3.791 1.378 1.00 0.00 C ATOM 163 O ALA A 15 -11.363 -3.322 1.147 1.00 0.00 O ATOM 164 CB ALA A 15 -8.880 -1.728 1.023 1.00 0.00 C ATOM 0 H ALA A 15 -8.915 -2.581 -1.283 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.133 -3.731 1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.863 -1.581 2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.958 -1.341 0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.731 -1.196 0.598 1.00 0.00 H new ATOM 170 N VAL A 16 -10.052 -4.814 2.204 1.00 0.00 N ATOM 171 CA VAL A 16 -11.159 -5.457 2.901 1.00 0.00 C ATOM 172 C VAL A 16 -11.633 -4.611 4.078 1.00 0.00 C ATOM 173 O VAL A 16 -12.816 -4.612 4.419 1.00 0.00 O ATOM 174 CB VAL A 16 -10.763 -6.854 3.415 1.00 0.00 C ATOM 175 CG1 VAL A 16 -11.976 -7.771 3.457 1.00 0.00 C ATOM 176 CG2 VAL A 16 -9.664 -7.449 2.547 1.00 0.00 C ATOM 0 H VAL A 16 -9.136 -5.215 2.407 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.970 -5.559 2.180 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.378 -6.753 4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.677 -8.753 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.728 -7.349 4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.393 -7.868 2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.396 -8.436 2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.019 -7.537 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.788 -6.801 2.574 1.00 0.00 H new ATOM 186 N TRP A 17 -10.703 -3.890 4.693 1.00 0.00 N ATOM 187 CA TRP A 17 -11.026 -3.037 5.831 1.00 0.00 C ATOM 188 C TRP A 17 -10.169 -1.776 5.828 1.00 0.00 C ATOM 189 O TRP A 17 -9.078 -1.758 5.257 1.00 0.00 O ATOM 190 CB TRP A 17 -10.825 -3.802 7.141 1.00 0.00 C ATOM 191 CG TRP A 17 -11.804 -4.921 7.331 1.00 0.00 C ATOM 192 CD1 TRP A 17 -11.614 -6.238 7.024 1.00 0.00 C ATOM 193 CD2 TRP A 17 -13.126 -4.819 7.871 1.00 0.00 C ATOM 194 NE1 TRP A 17 -12.739 -6.961 7.340 1.00 0.00 N ATOM 195 CE2 TRP A 17 -13.680 -6.115 7.862 1.00 0.00 C ATOM 196 CE3 TRP A 17 -13.896 -3.761 8.363 1.00 0.00 C ATOM 197 CZ2 TRP A 17 -14.967 -6.377 8.324 1.00 0.00 C ATOM 198 CZ3 TRP A 17 -15.173 -4.023 8.821 1.00 0.00 C ATOM 199 CH2 TRP A 17 -15.698 -5.322 8.800 1.00 0.00 C ATOM 0 H TRP A 17 -9.719 -3.879 4.423 1.00 0.00 H new ATOM 0 HA TRP A 17 -12.072 -2.742 5.747 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -9.813 -4.206 7.166 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.912 -3.107 7.976 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -10.712 -6.651 6.596 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.854 -7.966 7.207 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -13.500 -2.757 8.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -15.374 -7.377 8.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -15.777 -3.213 9.202 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -16.699 -5.494 9.167 1.00 0.00 H new ATOM 210 N ASP A 18 -10.668 -0.725 6.469 1.00 0.00 N ATOM 211 CA ASP A 18 -9.947 0.540 6.540 1.00 0.00 C ATOM 212 C ASP A 18 -8.646 0.380 7.322 1.00 0.00 C ATOM 213 O ASP A 18 -8.661 0.144 8.530 1.00 0.00 O ATOM 214 CB ASP A 18 -10.820 1.613 7.192 1.00 0.00 C ATOM 215 CG ASP A 18 -11.368 1.175 8.536 1.00 0.00 C ATOM 216 OD1 ASP A 18 -12.447 0.547 8.559 1.00 0.00 O ATOM 217 OD2 ASP A 18 -10.720 1.462 9.564 1.00 0.00 O ATOM 0 H ASP A 18 -11.569 -0.724 6.947 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.704 0.849 5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.236 2.524 7.321 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.648 1.857 6.527 1.00 0.00 H new ATOM 222 N HIS A 19 -7.522 0.511 6.624 1.00 0.00 N ATOM 223 CA HIS A 19 -6.213 0.380 7.253 1.00 0.00 C ATOM 224 C HIS A 19 -5.631 1.751 7.585 1.00 0.00 C ATOM 225 O HIS A 19 -4.853 2.311 6.813 1.00 0.00 O ATOM 226 CB HIS A 19 -5.257 -0.383 6.335 1.00 0.00 C ATOM 227 CG HIS A 19 -3.927 -0.669 6.961 1.00 0.00 C ATOM 228 ND1 HIS A 19 -2.728 -0.363 6.353 1.00 0.00 N ATOM 229 CD2 HIS A 19 -3.611 -1.236 8.149 1.00 0.00 C ATOM 230 CE1 HIS A 19 -1.731 -0.730 7.140 1.00 0.00 C ATOM 231 NE2 HIS A 19 -2.241 -1.263 8.236 1.00 0.00 N ATOM 0 H HIS A 19 -7.492 0.708 5.624 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.337 -0.178 8.181 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.722 -1.325 6.042 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.104 0.194 5.423 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.307 -1.600 8.890 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.679 -0.614 6.924 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.704 -1.634 9.020 1.00 0.00 H new ATOM 240 N VAL A 20 -6.014 2.287 8.740 1.00 0.00 N ATOM 241 CA VAL A 20 -5.531 3.592 9.175 1.00 0.00 C ATOM 242 C VAL A 20 -4.057 3.531 9.560 1.00 0.00 C ATOM 243 O VAL A 20 -3.562 2.496 10.008 1.00 0.00 O ATOM 244 CB VAL A 20 -6.342 4.120 10.373 1.00 0.00 C ATOM 245 CG1 VAL A 20 -7.808 4.276 9.998 1.00 0.00 C ATOM 246 CG2 VAL A 20 -6.185 3.196 11.571 1.00 0.00 C ATOM 0 H VAL A 20 -6.658 1.837 9.391 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.656 4.273 8.333 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.955 5.102 10.647 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.365 4.650 10.857 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.899 4.981 9.171 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.211 3.309 9.697 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.765 3.584 12.408 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.544 2.200 11.312 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.133 3.141 11.852 1.00 0.00 H new ATOM 256 N THR A 21 -3.358 4.648 9.384 1.00 0.00 N ATOM 257 CA THR A 21 -1.940 4.723 9.713 1.00 0.00 C ATOM 258 C THR A 21 -1.581 6.086 10.293 1.00 0.00 C ATOM 259 O THR A 21 -1.970 7.122 9.755 1.00 0.00 O ATOM 260 CB THR A 21 -1.062 4.457 8.476 1.00 0.00 C ATOM 261 OG1 THR A 21 -1.198 5.531 7.539 1.00 0.00 O ATOM 262 CG2 THR A 21 -1.448 3.145 7.810 1.00 0.00 C ATOM 0 H THR A 21 -3.751 5.514 9.015 1.00 0.00 H new ATOM 0 HA THR A 21 -1.748 3.952 10.459 1.00 0.00 H new ATOM 0 HB THR A 21 -0.024 4.389 8.802 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.398 6.096 7.571 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.814 2.979 6.939 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.316 2.326 8.517 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.491 3.189 7.497 1.00 0.00 H new ATOM 270 N MET A 22 -0.836 6.078 11.394 1.00 0.00 N ATOM 271 CA MET A 22 -0.423 7.315 12.046 1.00 0.00 C ATOM 272 C MET A 22 0.699 7.992 11.266 1.00 0.00 C ATOM 273 O MET A 22 1.064 9.133 11.549 1.00 0.00 O ATOM 274 CB MET A 22 0.032 7.035 13.479 1.00 0.00 C ATOM 275 CG MET A 22 1.379 6.334 13.562 1.00 0.00 C ATOM 276 SD MET A 22 1.229 4.538 13.552 1.00 0.00 S ATOM 277 CE MET A 22 1.576 4.159 15.268 1.00 0.00 C ATOM 0 H MET A 22 -0.506 5.229 11.853 1.00 0.00 H new ATOM 0 HA MET A 22 -1.281 7.987 12.071 1.00 0.00 H new ATOM 0 HB2 MET A 22 0.087 7.977 14.025 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.719 6.422 13.977 1.00 0.00 H new ATOM 0 HG2 MET A 22 2.000 6.648 12.723 1.00 0.00 H new ATOM 0 HG3 MET A 22 1.892 6.647 14.472 1.00 0.00 H new ATOM 0 HE1 MET A 22 1.521 3.081 15.421 1.00 0.00 H new ATOM 0 HE2 MET A 22 2.575 4.511 15.524 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.843 4.654 15.905 1.00 0.00 H new ATOM 287 N ALA A 23 1.244 7.281 10.284 1.00 0.00 N ATOM 288 CA ALA A 23 2.324 7.814 9.463 1.00 0.00 C ATOM 289 C ALA A 23 1.878 7.987 8.014 1.00 0.00 C ATOM 290 O ALA A 23 1.039 7.236 7.520 1.00 0.00 O ATOM 291 CB ALA A 23 3.542 6.905 9.538 1.00 0.00 C ATOM 0 H ALA A 23 0.955 6.334 10.038 1.00 0.00 H new ATOM 0 HA ALA A 23 2.593 8.796 9.852 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.341 7.315 8.920 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.882 6.836 10.571 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.277 5.911 9.176 1.00 0.00 H new ATOM 297 N ASN A 24 2.447 8.981 7.340 1.00 0.00 N ATOM 298 CA ASN A 24 2.107 9.253 5.948 1.00 0.00 C ATOM 299 C ASN A 24 2.701 8.193 5.026 1.00 0.00 C ATOM 300 O ASN A 24 2.059 7.754 4.072 1.00 0.00 O ATOM 301 CB ASN A 24 2.608 10.639 5.540 1.00 0.00 C ATOM 302 CG ASN A 24 2.246 10.987 4.109 1.00 0.00 C ATOM 303 OD1 ASN A 24 1.090 10.870 3.704 1.00 0.00 O ATOM 304 ND2 ASN A 24 3.237 11.418 3.336 1.00 0.00 N ATOM 0 H ASN A 24 3.145 9.611 7.735 1.00 0.00 H new ATOM 0 HA ASN A 24 1.022 9.225 5.853 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.185 11.387 6.211 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.691 10.680 5.658 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.054 11.668 2.364 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.181 11.499 3.715 1.00 0.00 H new ATOM 311 N ARG A 25 3.932 7.785 5.318 1.00 0.00 N ATOM 312 CA ARG A 25 4.614 6.777 4.515 1.00 0.00 C ATOM 313 C ARG A 25 3.651 5.668 4.102 1.00 0.00 C ATOM 314 O ARG A 25 3.366 5.490 2.918 1.00 0.00 O ATOM 315 CB ARG A 25 5.788 6.182 5.295 1.00 0.00 C ATOM 316 CG ARG A 25 6.854 7.202 5.663 1.00 0.00 C ATOM 317 CD ARG A 25 7.980 6.567 6.463 1.00 0.00 C ATOM 318 NE ARG A 25 9.034 7.526 6.781 1.00 0.00 N ATOM 319 CZ ARG A 25 10.272 7.175 7.114 1.00 0.00 C ATOM 320 NH1 ARG A 25 10.608 5.894 7.172 1.00 0.00 N ATOM 321 NH2 ARG A 25 11.175 8.107 7.389 1.00 0.00 N ATOM 0 H ARG A 25 4.477 8.137 6.105 1.00 0.00 H new ATOM 0 HA ARG A 25 4.992 7.261 3.614 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.410 5.719 6.207 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.244 5.390 4.701 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.259 7.650 4.756 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.404 8.008 6.243 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.578 6.151 7.387 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.404 5.737 5.897 1.00 0.00 H new ATOM 0 HE ARG A 25 8.808 8.520 6.746 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.916 5.175 6.961 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.559 5.627 7.428 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.919 9.093 7.345 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.125 7.837 7.645 1.00 0.00 H new ATOM 335 N GLU A 26 3.153 4.926 5.086 1.00 0.00 N ATOM 336 CA GLU A 26 2.223 3.834 4.823 1.00 0.00 C ATOM 337 C GLU A 26 1.101 4.287 3.893 1.00 0.00 C ATOM 338 O GLU A 26 0.588 5.400 4.017 1.00 0.00 O ATOM 339 CB GLU A 26 1.633 3.311 6.135 1.00 0.00 C ATOM 340 CG GLU A 26 2.683 2.922 7.162 1.00 0.00 C ATOM 341 CD GLU A 26 2.101 2.137 8.322 1.00 0.00 C ATOM 342 OE1 GLU A 26 1.055 1.483 8.131 1.00 0.00 O ATOM 343 OE2 GLU A 26 2.693 2.179 9.421 1.00 0.00 O ATOM 0 H GLU A 26 3.378 5.061 6.072 1.00 0.00 H new ATOM 0 HA GLU A 26 2.774 3.031 4.334 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.985 4.076 6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.007 2.445 5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.457 2.327 6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.165 3.823 7.543 1.00 0.00 H new ATOM 350 N LEU A 27 0.727 3.417 2.961 1.00 0.00 N ATOM 351 CA LEU A 27 -0.334 3.727 2.009 1.00 0.00 C ATOM 352 C LEU A 27 -1.708 3.521 2.638 1.00 0.00 C ATOM 353 O LEU A 27 -2.194 2.394 2.736 1.00 0.00 O ATOM 354 CB LEU A 27 -0.196 2.853 0.760 1.00 0.00 C ATOM 355 CG LEU A 27 -1.183 3.140 -0.372 1.00 0.00 C ATOM 356 CD1 LEU A 27 -0.900 4.497 -0.996 1.00 0.00 C ATOM 357 CD2 LEU A 27 -1.120 2.043 -1.425 1.00 0.00 C ATOM 0 H LEU A 27 1.142 2.493 2.844 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.239 4.775 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.816 2.967 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.307 1.810 1.057 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.190 3.158 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.612 4.684 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.997 5.274 -0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.113 4.508 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.829 2.264 -2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.113 1.993 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.373 1.086 -0.969 1.00 0.00 H new ATOM 369 N ALA A 28 -2.330 4.617 3.060 1.00 0.00 N ATOM 370 CA ALA A 28 -3.650 4.557 3.676 1.00 0.00 C ATOM 371 C ALA A 28 -4.746 4.484 2.618 1.00 0.00 C ATOM 372 O ALA A 28 -4.596 5.012 1.516 1.00 0.00 O ATOM 373 CB ALA A 28 -3.866 5.761 4.580 1.00 0.00 C ATOM 0 H ALA A 28 -1.941 5.557 2.987 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.702 3.650 4.279 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.856 5.703 5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.108 5.768 5.363 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.789 6.676 3.992 1.00 0.00 H new ATOM 379 N PHE A 29 -5.849 3.825 2.960 1.00 0.00 N ATOM 380 CA PHE A 29 -6.970 3.681 2.038 1.00 0.00 C ATOM 381 C PHE A 29 -8.236 3.267 2.782 1.00 0.00 C ATOM 382 O PHE A 29 -8.192 2.926 3.965 1.00 0.00 O ATOM 383 CB PHE A 29 -6.640 2.650 0.957 1.00 0.00 C ATOM 384 CG PHE A 29 -5.917 1.442 1.481 1.00 0.00 C ATOM 385 CD1 PHE A 29 -6.622 0.369 2.002 1.00 0.00 C ATOM 386 CD2 PHE A 29 -4.534 1.379 1.452 1.00 0.00 C ATOM 387 CE1 PHE A 29 -5.960 -0.743 2.485 1.00 0.00 C ATOM 388 CE2 PHE A 29 -3.866 0.269 1.934 1.00 0.00 C ATOM 389 CZ PHE A 29 -4.580 -0.794 2.450 1.00 0.00 C ATOM 0 H PHE A 29 -5.990 3.383 3.868 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.146 4.648 1.566 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.565 2.330 0.477 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.029 3.124 0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.701 0.402 2.031 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.971 2.207 1.048 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.521 -1.572 2.890 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.787 0.233 1.907 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.061 -1.663 2.825 1.00 0.00 H new ATOM 399 N LYS A 30 -9.364 3.299 2.082 1.00 0.00 N ATOM 400 CA LYS A 30 -10.644 2.927 2.673 1.00 0.00 C ATOM 401 C LYS A 30 -11.224 1.696 1.985 1.00 0.00 C ATOM 402 O LYS A 30 -11.126 1.551 0.767 1.00 0.00 O ATOM 403 CB LYS A 30 -11.632 4.092 2.576 1.00 0.00 C ATOM 404 CG LYS A 30 -11.285 5.261 3.482 1.00 0.00 C ATOM 405 CD LYS A 30 -12.515 6.083 3.827 1.00 0.00 C ATOM 406 CE LYS A 30 -12.213 7.115 4.903 1.00 0.00 C ATOM 407 NZ LYS A 30 -13.339 8.071 5.087 1.00 0.00 N ATOM 0 H LYS A 30 -9.418 3.579 1.103 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.475 2.688 3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.669 4.441 1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.630 3.733 2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.826 4.889 4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.548 5.896 2.991 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.881 6.586 2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.311 5.422 4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.010 6.607 5.846 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.310 7.664 4.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.094 8.758 5.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.517 8.574 4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.194 7.550 5.367 1.00 0.00 H new ATOM 421 N ALA A 31 -11.828 0.813 2.773 1.00 0.00 N ATOM 422 CA ALA A 31 -12.427 -0.404 2.238 1.00 0.00 C ATOM 423 C ALA A 31 -13.049 -0.154 0.868 1.00 0.00 C ATOM 424 O ALA A 31 -14.087 0.497 0.757 1.00 0.00 O ATOM 425 CB ALA A 31 -13.471 -0.946 3.203 1.00 0.00 C ATOM 0 H ALA A 31 -11.916 0.917 3.784 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.638 -1.146 2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.910 -1.855 2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.000 -1.172 4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.252 -0.200 3.351 1.00 0.00 H new ATOM 431 N GLY A 32 -12.407 -0.674 -0.173 1.00 0.00 N ATOM 432 CA GLY A 32 -12.912 -0.495 -1.521 1.00 0.00 C ATOM 433 C GLY A 32 -11.844 -0.009 -2.480 1.00 0.00 C ATOM 434 O GLY A 32 -11.771 -0.464 -3.622 1.00 0.00 O ATOM 0 H GLY A 32 -11.546 -1.216 -0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.318 -1.440 -1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.735 0.220 -1.506 1.00 0.00 H new ATOM 438 N ASP A 33 -11.013 0.919 -2.018 1.00 0.00 N ATOM 439 CA ASP A 33 -9.944 1.469 -2.843 1.00 0.00 C ATOM 440 C ASP A 33 -9.144 0.354 -3.509 1.00 0.00 C ATOM 441 O ASP A 33 -8.641 -0.549 -2.840 1.00 0.00 O ATOM 442 CB ASP A 33 -9.017 2.343 -1.998 1.00 0.00 C ATOM 443 CG ASP A 33 -9.643 3.677 -1.643 1.00 0.00 C ATOM 444 OD1 ASP A 33 -10.537 4.130 -2.388 1.00 0.00 O ATOM 445 OD2 ASP A 33 -9.240 4.269 -0.620 1.00 0.00 O ATOM 0 H ASP A 33 -11.059 1.306 -1.076 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.398 2.082 -3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.757 1.812 -1.082 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.088 2.514 -2.542 1.00 0.00 H new ATOM 450 N VAL A 34 -9.032 0.422 -4.832 1.00 0.00 N ATOM 451 CA VAL A 34 -8.293 -0.581 -5.589 1.00 0.00 C ATOM 452 C VAL A 34 -6.848 -0.150 -5.810 1.00 0.00 C ATOM 453 O VAL A 34 -6.586 0.888 -6.418 1.00 0.00 O ATOM 454 CB VAL A 34 -8.952 -0.850 -6.956 1.00 0.00 C ATOM 455 CG1 VAL A 34 -8.164 -1.894 -7.732 1.00 0.00 C ATOM 456 CG2 VAL A 34 -10.397 -1.287 -6.773 1.00 0.00 C ATOM 0 H VAL A 34 -9.444 1.161 -5.401 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.309 -1.497 -4.999 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.947 0.076 -7.532 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.644 -2.071 -8.694 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.147 -1.536 -7.894 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.135 -2.824 -7.164 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.847 -1.473 -7.748 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.428 -2.200 -6.179 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.953 -0.502 -6.261 1.00 0.00 H new ATOM 466 N ILE A 35 -5.914 -0.953 -5.313 1.00 0.00 N ATOM 467 CA ILE A 35 -4.494 -0.655 -5.457 1.00 0.00 C ATOM 468 C ILE A 35 -3.837 -1.588 -6.468 1.00 0.00 C ATOM 469 O ILE A 35 -4.224 -2.749 -6.601 1.00 0.00 O ATOM 470 CB ILE A 35 -3.755 -0.771 -4.111 1.00 0.00 C ATOM 471 CG1 ILE A 35 -4.434 0.102 -3.054 1.00 0.00 C ATOM 472 CG2 ILE A 35 -2.295 -0.376 -4.273 1.00 0.00 C ATOM 473 CD1 ILE A 35 -5.529 -0.613 -2.292 1.00 0.00 C ATOM 0 H ILE A 35 -6.115 -1.815 -4.807 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.421 0.372 -5.814 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.796 -1.808 -3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.682 0.455 -2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.855 0.983 -3.538 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.786 -0.463 -3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.818 -1.035 -4.998 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.234 0.654 -4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.966 0.066 -1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.301 -0.942 -2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.110 -1.479 -1.779 1.00 0.00 H new ATOM 485 N LYS A 36 -2.838 -1.073 -7.177 1.00 0.00 N ATOM 486 CA LYS A 36 -2.122 -1.860 -8.175 1.00 0.00 C ATOM 487 C LYS A 36 -0.795 -2.366 -7.619 1.00 0.00 C ATOM 488 O LYS A 36 0.088 -1.578 -7.279 1.00 0.00 O ATOM 489 CB LYS A 36 -1.876 -1.024 -9.433 1.00 0.00 C ATOM 490 CG LYS A 36 -1.522 -1.854 -10.655 1.00 0.00 C ATOM 491 CD LYS A 36 -1.769 -1.085 -11.942 1.00 0.00 C ATOM 492 CE LYS A 36 -1.301 -1.869 -13.158 1.00 0.00 C ATOM 493 NZ LYS A 36 -1.213 -1.010 -14.371 1.00 0.00 N ATOM 0 H LYS A 36 -2.506 -0.114 -7.079 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.739 -2.721 -8.434 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.768 -0.437 -9.649 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.069 -0.318 -9.238 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.475 -2.151 -10.603 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.113 -2.770 -10.658 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.832 -0.865 -12.037 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.248 -0.129 -11.902 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.325 -2.309 -12.953 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.989 -2.693 -13.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.891 -1.581 -15.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.150 -0.610 -14.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.537 -0.238 -14.201 1.00 0.00 H new ATOM 507 N VAL A 37 -0.659 -3.685 -7.530 1.00 0.00 N ATOM 508 CA VAL A 37 0.561 -4.296 -7.018 1.00 0.00 C ATOM 509 C VAL A 37 1.669 -4.272 -8.066 1.00 0.00 C ATOM 510 O VAL A 37 1.511 -4.807 -9.165 1.00 0.00 O ATOM 511 CB VAL A 37 0.319 -5.751 -6.576 1.00 0.00 C ATOM 512 CG1 VAL A 37 1.521 -6.285 -5.814 1.00 0.00 C ATOM 513 CG2 VAL A 37 -0.944 -5.848 -5.733 1.00 0.00 C ATOM 0 H VAL A 37 -1.380 -4.352 -7.806 1.00 0.00 H new ATOM 0 HA VAL A 37 0.869 -3.709 -6.153 1.00 0.00 H new ATOM 0 HB VAL A 37 0.182 -6.365 -7.466 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.331 -7.314 -5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.402 -6.253 -6.455 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.693 -5.671 -4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.100 -6.883 -5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.839 -5.222 -4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.799 -5.509 -6.318 1.00 0.00 H new ATOM 523 N LEU A 38 2.790 -3.650 -7.720 1.00 0.00 N ATOM 524 CA LEU A 38 3.926 -3.557 -8.630 1.00 0.00 C ATOM 525 C LEU A 38 4.899 -4.710 -8.407 1.00 0.00 C ATOM 526 O LEU A 38 5.243 -5.435 -9.340 1.00 0.00 O ATOM 527 CB LEU A 38 4.648 -2.222 -8.442 1.00 0.00 C ATOM 528 CG LEU A 38 3.840 -0.968 -8.779 1.00 0.00 C ATOM 529 CD1 LEU A 38 4.738 0.259 -8.790 1.00 0.00 C ATOM 530 CD2 LEU A 38 3.140 -1.131 -10.121 1.00 0.00 C ATOM 0 H LEU A 38 2.937 -3.202 -6.815 1.00 0.00 H new ATOM 0 HA LEU A 38 3.548 -3.618 -9.650 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.975 -2.151 -7.404 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.546 -2.228 -9.059 1.00 0.00 H new ATOM 0 HG LEU A 38 3.081 -0.830 -8.009 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.145 1.141 -9.032 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.193 0.385 -7.808 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.520 0.131 -9.539 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.569 -0.230 -10.346 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.883 -1.294 -10.902 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.465 -1.986 -10.078 1.00 0.00 H new ATOM 542 N ASP A 39 5.337 -4.875 -7.163 1.00 0.00 N ATOM 543 CA ASP A 39 6.268 -5.942 -6.816 1.00 0.00 C ATOM 544 C ASP A 39 5.812 -6.674 -5.557 1.00 0.00 C ATOM 545 O ASP A 39 5.214 -6.076 -4.663 1.00 0.00 O ATOM 546 CB ASP A 39 7.674 -5.375 -6.610 1.00 0.00 C ATOM 547 CG ASP A 39 8.755 -6.419 -6.810 1.00 0.00 C ATOM 548 OD1 ASP A 39 9.200 -6.599 -7.963 1.00 0.00 O ATOM 549 OD2 ASP A 39 9.156 -7.056 -5.814 1.00 0.00 O ATOM 0 H ASP A 39 5.062 -4.283 -6.379 1.00 0.00 H new ATOM 0 HA ASP A 39 6.289 -6.654 -7.641 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.836 -4.551 -7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.753 -4.963 -5.604 1.00 0.00 H new ATOM 554 N ALA A 40 6.096 -7.970 -5.497 1.00 0.00 N ATOM 555 CA ALA A 40 5.715 -8.783 -4.348 1.00 0.00 C ATOM 556 C ALA A 40 6.883 -9.639 -3.870 1.00 0.00 C ATOM 557 O ALA A 40 6.776 -10.862 -3.788 1.00 0.00 O ATOM 558 CB ALA A 40 4.522 -9.661 -4.694 1.00 0.00 C ATOM 0 H ALA A 40 6.589 -8.480 -6.230 1.00 0.00 H new ATOM 0 HA ALA A 40 5.434 -8.111 -3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.249 -10.262 -3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.679 -9.033 -4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.782 -10.318 -5.524 1.00 0.00 H new ATOM 564 N SER A 41 7.999 -8.987 -3.556 1.00 0.00 N ATOM 565 CA SER A 41 9.189 -9.690 -3.090 1.00 0.00 C ATOM 566 C SER A 41 8.898 -10.456 -1.803 1.00 0.00 C ATOM 567 O SER A 41 8.907 -11.686 -1.785 1.00 0.00 O ATOM 568 CB SER A 41 10.333 -8.701 -2.861 1.00 0.00 C ATOM 569 OG SER A 41 11.579 -9.372 -2.782 1.00 0.00 O ATOM 0 H SER A 41 8.104 -7.974 -3.616 1.00 0.00 H new ATOM 0 HA SER A 41 9.484 -10.405 -3.858 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.358 -7.975 -3.674 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.157 -8.144 -1.941 1.00 0.00 H new ATOM 0 HG SER A 41 12.294 -8.718 -2.637 1.00 0.00 H new ATOM 575 N ASN A 42 8.641 -9.719 -0.728 1.00 0.00 N ATOM 576 CA ASN A 42 8.348 -10.328 0.565 1.00 0.00 C ATOM 577 C ASN A 42 7.206 -11.332 0.446 1.00 0.00 C ATOM 578 O ASN A 42 6.648 -11.531 -0.633 1.00 0.00 O ATOM 579 CB ASN A 42 7.991 -9.250 1.590 1.00 0.00 C ATOM 580 CG ASN A 42 9.207 -8.735 2.335 1.00 0.00 C ATOM 581 OD1 ASN A 42 9.848 -9.472 3.084 1.00 0.00 O ATOM 582 ND2 ASN A 42 9.530 -7.463 2.132 1.00 0.00 N ATOM 0 H ASN A 42 8.630 -8.699 -0.726 1.00 0.00 H new ATOM 0 HA ASN A 42 9.240 -10.857 0.901 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.500 -8.419 1.083 1.00 0.00 H new ATOM 0 HB3 ASN A 42 7.275 -9.655 2.305 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.338 -7.060 2.606 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.970 -6.889 1.502 1.00 0.00 H new ATOM 589 N LYS A 43 6.862 -11.963 1.564 1.00 0.00 N ATOM 590 CA LYS A 43 5.785 -12.945 1.588 1.00 0.00 C ATOM 591 C LYS A 43 4.447 -12.279 1.892 1.00 0.00 C ATOM 592 O LYS A 43 3.422 -12.625 1.304 1.00 0.00 O ATOM 593 CB LYS A 43 6.076 -14.026 2.631 1.00 0.00 C ATOM 594 CG LYS A 43 6.150 -13.496 4.053 1.00 0.00 C ATOM 595 CD LYS A 43 6.492 -14.598 5.042 1.00 0.00 C ATOM 596 CE LYS A 43 6.569 -14.066 6.464 1.00 0.00 C ATOM 597 NZ LYS A 43 7.680 -13.088 6.631 1.00 0.00 N ATOM 0 H LYS A 43 7.314 -11.811 2.466 1.00 0.00 H new ATOM 0 HA LYS A 43 5.726 -13.406 0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.300 -14.789 2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.020 -14.513 2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.902 -12.709 4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.195 -13.046 4.325 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.739 -15.384 4.987 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.446 -15.050 4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.624 -13.590 6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.709 -14.897 7.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.819 -12.890 7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.555 -13.485 6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.443 -12.205 6.135 1.00 0.00 H new ATOM 611 N ASP A 44 4.464 -11.321 2.812 1.00 0.00 N ATOM 612 CA ASP A 44 3.252 -10.604 3.192 1.00 0.00 C ATOM 613 C ASP A 44 3.479 -9.096 3.156 1.00 0.00 C ATOM 614 O ASP A 44 2.881 -8.349 3.931 1.00 0.00 O ATOM 615 CB ASP A 44 2.798 -11.030 4.589 1.00 0.00 C ATOM 616 CG ASP A 44 1.367 -10.626 4.881 1.00 0.00 C ATOM 617 OD1 ASP A 44 1.157 -9.498 5.374 1.00 0.00 O ATOM 618 OD2 ASP A 44 0.456 -11.438 4.617 1.00 0.00 O ATOM 0 H ASP A 44 5.304 -11.023 3.309 1.00 0.00 H new ATOM 0 HA ASP A 44 2.472 -10.854 2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.894 -12.112 4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.457 -10.584 5.334 1.00 0.00 H new ATOM 623 N TRP A 45 4.346 -8.655 2.252 1.00 0.00 N ATOM 624 CA TRP A 45 4.653 -7.235 2.115 1.00 0.00 C ATOM 625 C TRP A 45 4.918 -6.874 0.658 1.00 0.00 C ATOM 626 O TRP A 45 5.958 -7.226 0.101 1.00 0.00 O ATOM 627 CB TRP A 45 5.865 -6.870 2.973 1.00 0.00 C ATOM 628 CG TRP A 45 5.576 -6.878 4.444 1.00 0.00 C ATOM 629 CD1 TRP A 45 6.038 -7.774 5.365 1.00 0.00 C ATOM 630 CD2 TRP A 45 4.758 -5.948 5.162 1.00 0.00 C ATOM 631 NE1 TRP A 45 5.557 -7.457 6.612 1.00 0.00 N ATOM 632 CE2 TRP A 45 4.769 -6.341 6.515 1.00 0.00 C ATOM 633 CE3 TRP A 45 4.018 -4.821 4.794 1.00 0.00 C ATOM 634 CZ2 TRP A 45 4.069 -5.646 7.497 1.00 0.00 C ATOM 635 CZ3 TRP A 45 3.323 -4.133 5.770 1.00 0.00 C ATOM 636 CH2 TRP A 45 3.353 -4.546 7.109 1.00 0.00 C ATOM 0 H TRP A 45 4.849 -9.260 1.603 1.00 0.00 H new ATOM 0 HA TRP A 45 3.789 -6.666 2.459 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.673 -7.572 2.765 1.00 0.00 H new ATOM 0 HB3 TRP A 45 6.220 -5.880 2.685 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.686 -8.609 5.145 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.755 -7.970 7.471 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.990 -4.494 3.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 4.090 -5.964 8.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.747 -3.262 5.496 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.801 -3.986 7.849 1.00 0.00 H new ATOM 647 N TRP A 46 3.973 -6.169 0.047 1.00 0.00 N ATOM 648 CA TRP A 46 4.106 -5.759 -1.347 1.00 0.00 C ATOM 649 C TRP A 46 3.900 -4.256 -1.494 1.00 0.00 C ATOM 650 O TRP A 46 3.259 -3.623 -0.656 1.00 0.00 O ATOM 651 CB TRP A 46 3.101 -6.513 -2.219 1.00 0.00 C ATOM 652 CG TRP A 46 3.027 -7.977 -1.910 1.00 0.00 C ATOM 653 CD1 TRP A 46 4.068 -8.802 -1.593 1.00 0.00 C ATOM 654 CD2 TRP A 46 1.848 -8.790 -1.891 1.00 0.00 C ATOM 655 NE1 TRP A 46 3.608 -10.079 -1.378 1.00 0.00 N ATOM 656 CE2 TRP A 46 2.250 -10.098 -1.554 1.00 0.00 C ATOM 657 CE3 TRP A 46 0.493 -8.541 -2.124 1.00 0.00 C ATOM 658 CZ2 TRP A 46 1.344 -11.149 -1.445 1.00 0.00 C ATOM 659 CZ3 TRP A 46 -0.405 -9.586 -2.016 1.00 0.00 C ATOM 660 CH2 TRP A 46 0.023 -10.877 -1.679 1.00 0.00 C ATOM 0 H TRP A 46 3.107 -5.869 0.494 1.00 0.00 H new ATOM 0 HA TRP A 46 5.116 -6.002 -1.677 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.113 -6.071 -2.087 1.00 0.00 H new ATOM 0 HB3 TRP A 46 3.371 -6.383 -3.267 1.00 0.00 H new ATOM 0 HD1 TRP A 46 5.101 -8.496 -1.522 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.185 -10.882 -1.128 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.153 -7.549 -2.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 1.672 -12.145 -1.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.455 -9.404 -2.194 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.703 -11.673 -1.602 1.00 0.00 H new ATOM 671 N TRP A 47 4.447 -3.690 -2.564 1.00 0.00 N ATOM 672 CA TRP A 47 4.322 -2.260 -2.821 1.00 0.00 C ATOM 673 C TRP A 47 3.110 -1.969 -3.699 1.00 0.00 C ATOM 674 O TRP A 47 2.951 -2.555 -4.769 1.00 0.00 O ATOM 675 CB TRP A 47 5.591 -1.728 -3.489 1.00 0.00 C ATOM 676 CG TRP A 47 5.575 -0.244 -3.696 1.00 0.00 C ATOM 677 CD1 TRP A 47 5.191 0.422 -4.824 1.00 0.00 C ATOM 678 CD2 TRP A 47 5.963 0.758 -2.749 1.00 0.00 C ATOM 679 NE1 TRP A 47 5.316 1.778 -4.636 1.00 0.00 N ATOM 680 CE2 TRP A 47 5.787 2.009 -3.371 1.00 0.00 C ATOM 681 CE3 TRP A 47 6.439 0.719 -1.436 1.00 0.00 C ATOM 682 CZ2 TRP A 47 6.072 3.209 -2.723 1.00 0.00 C ATOM 683 CZ3 TRP A 47 6.722 1.910 -0.795 1.00 0.00 C ATOM 684 CH2 TRP A 47 6.538 3.141 -1.438 1.00 0.00 C ATOM 0 H TRP A 47 4.981 -4.200 -3.268 1.00 0.00 H new ATOM 0 HA TRP A 47 4.184 -1.755 -1.865 1.00 0.00 H new ATOM 0 HB2 TRP A 47 6.453 -1.993 -2.878 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.720 -2.221 -4.453 1.00 0.00 H new ATOM 0 HD1 TRP A 47 4.840 -0.048 -5.731 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.094 2.495 -5.326 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.583 -0.225 -0.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.930 4.159 -3.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 7.092 1.892 0.220 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.768 4.054 -0.909 1.00 0.00 H new ATOM 695 N GLY A 48 2.256 -1.058 -3.240 1.00 0.00 N ATOM 696 CA GLY A 48 1.070 -0.705 -3.997 1.00 0.00 C ATOM 697 C GLY A 48 1.192 0.648 -4.669 1.00 0.00 C ATOM 698 O GLY A 48 2.005 1.478 -4.263 1.00 0.00 O ATOM 0 H GLY A 48 2.365 -0.559 -2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.885 -1.468 -4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.206 -0.700 -3.332 1.00 0.00 H new ATOM 702 N GLN A 49 0.384 0.870 -5.700 1.00 0.00 N ATOM 703 CA GLN A 49 0.408 2.131 -6.432 1.00 0.00 C ATOM 704 C GLN A 49 -1.008 2.617 -6.725 1.00 0.00 C ATOM 705 O GLN A 49 -1.762 1.964 -7.447 1.00 0.00 O ATOM 706 CB GLN A 49 1.186 1.972 -7.739 1.00 0.00 C ATOM 707 CG GLN A 49 1.111 3.192 -8.644 1.00 0.00 C ATOM 708 CD GLN A 49 1.519 2.885 -10.071 1.00 0.00 C ATOM 709 OE1 GLN A 49 2.295 1.963 -10.323 1.00 0.00 O ATOM 710 NE2 GLN A 49 0.995 3.658 -11.016 1.00 0.00 N ATOM 0 H GLN A 49 -0.295 0.193 -6.048 1.00 0.00 H new ATOM 0 HA GLN A 49 0.906 2.874 -5.809 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.231 1.765 -7.507 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.802 1.106 -8.278 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.094 3.583 -8.637 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.756 3.975 -8.246 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.356 4.411 -10.762 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.232 3.498 -11.995 1.00 0.00 H new ATOM 719 N ILE A 50 -1.362 3.766 -6.160 1.00 0.00 N ATOM 720 CA ILE A 50 -2.687 4.340 -6.362 1.00 0.00 C ATOM 721 C ILE A 50 -2.635 5.517 -7.330 1.00 0.00 C ATOM 722 O ILE A 50 -1.602 6.172 -7.472 1.00 0.00 O ATOM 723 CB ILE A 50 -3.306 4.810 -5.032 1.00 0.00 C ATOM 724 CG1 ILE A 50 -3.728 3.607 -4.187 1.00 0.00 C ATOM 725 CG2 ILE A 50 -4.494 5.723 -5.295 1.00 0.00 C ATOM 726 CD1 ILE A 50 -4.422 3.987 -2.898 1.00 0.00 C ATOM 0 H ILE A 50 -0.750 4.318 -5.559 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.311 3.552 -6.785 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.555 5.373 -4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.393 2.975 -4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.846 3.010 -3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.921 6.047 -4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.165 6.594 -5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.249 5.183 -5.867 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.693 3.084 -2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.752 4.593 -2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.323 4.558 -3.124 1.00 0.00 H new ATOM 738 N ASP A 51 -3.756 5.781 -7.992 1.00 0.00 N ATOM 739 CA ASP A 51 -3.840 6.881 -8.946 1.00 0.00 C ATOM 740 C ASP A 51 -2.978 8.057 -8.496 1.00 0.00 C ATOM 741 O ASP A 51 -2.059 8.472 -9.203 1.00 0.00 O ATOM 742 CB ASP A 51 -5.292 7.332 -9.110 1.00 0.00 C ATOM 743 CG ASP A 51 -6.159 6.267 -9.752 1.00 0.00 C ATOM 744 OD1 ASP A 51 -5.659 5.554 -10.647 1.00 0.00 O ATOM 745 OD2 ASP A 51 -7.338 6.146 -9.359 1.00 0.00 O ATOM 0 H ASP A 51 -4.619 5.248 -7.886 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.467 6.526 -9.907 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.702 7.590 -8.134 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.322 8.236 -9.718 1.00 0.00 H new ATOM 750 N ASP A 52 -3.280 8.589 -7.317 1.00 0.00 N ATOM 751 CA ASP A 52 -2.533 9.716 -6.772 1.00 0.00 C ATOM 752 C ASP A 52 -1.662 9.276 -5.600 1.00 0.00 C ATOM 753 O ASP A 52 -0.524 9.721 -5.459 1.00 0.00 O ATOM 754 CB ASP A 52 -3.491 10.822 -6.325 1.00 0.00 C ATOM 755 CG ASP A 52 -4.312 10.422 -5.115 1.00 0.00 C ATOM 756 OD1 ASP A 52 -5.014 9.393 -5.189 1.00 0.00 O ATOM 757 OD2 ASP A 52 -4.253 11.140 -4.094 1.00 0.00 O ATOM 0 H ASP A 52 -4.038 8.257 -6.720 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.884 10.103 -7.557 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.920 11.721 -6.092 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.160 11.073 -7.148 1.00 0.00 H new ATOM 762 N GLU A 53 -2.207 8.400 -4.761 1.00 0.00 N ATOM 763 CA GLU A 53 -1.479 7.902 -3.599 1.00 0.00 C ATOM 764 C GLU A 53 -0.473 6.829 -4.007 1.00 0.00 C ATOM 765 O GLU A 53 -0.605 6.209 -5.061 1.00 0.00 O ATOM 766 CB GLU A 53 -2.453 7.336 -2.564 1.00 0.00 C ATOM 767 CG GLU A 53 -3.284 8.399 -1.865 1.00 0.00 C ATOM 768 CD GLU A 53 -2.555 9.036 -0.699 1.00 0.00 C ATOM 769 OE1 GLU A 53 -1.421 9.520 -0.900 1.00 0.00 O ATOM 770 OE2 GLU A 53 -3.118 9.052 0.416 1.00 0.00 O ATOM 0 H GLU A 53 -3.148 8.021 -4.864 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.935 8.737 -3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.122 6.629 -3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.891 6.776 -1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.557 9.172 -2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.212 7.953 -1.508 1.00 0.00 H new ATOM 777 N GLU A 54 0.532 6.618 -3.163 1.00 0.00 N ATOM 778 CA GLU A 54 1.562 5.622 -3.436 1.00 0.00 C ATOM 779 C GLU A 54 2.245 5.178 -2.146 1.00 0.00 C ATOM 780 O GLU A 54 2.454 5.978 -1.235 1.00 0.00 O ATOM 781 CB GLU A 54 2.600 6.183 -4.410 1.00 0.00 C ATOM 782 CG GLU A 54 2.129 6.209 -5.854 1.00 0.00 C ATOM 783 CD GLU A 54 3.263 6.441 -6.834 1.00 0.00 C ATOM 784 OE1 GLU A 54 3.661 7.612 -7.012 1.00 0.00 O ATOM 785 OE2 GLU A 54 3.753 5.454 -7.421 1.00 0.00 O ATOM 0 H GLU A 54 0.655 7.123 -2.285 1.00 0.00 H new ATOM 0 HA GLU A 54 1.082 4.755 -3.889 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.863 7.196 -4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.509 5.584 -4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.638 5.265 -6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.383 6.995 -5.975 1.00 0.00 H new ATOM 792 N GLY A 55 2.591 3.896 -2.077 1.00 0.00 N ATOM 793 CA GLY A 55 3.247 3.367 -0.896 1.00 0.00 C ATOM 794 C GLY A 55 3.117 1.861 -0.786 1.00 0.00 C ATOM 795 O GLY A 55 2.870 1.179 -1.780 1.00 0.00 O ATOM 0 H GLY A 55 2.429 3.214 -2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.303 3.637 -0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.819 3.831 -0.008 1.00 0.00 H new ATOM 799 N TRP A 56 3.285 1.341 0.424 1.00 0.00 N ATOM 800 CA TRP A 56 3.187 -0.095 0.660 1.00 0.00 C ATOM 801 C TRP A 56 1.963 -0.426 1.505 1.00 0.00 C ATOM 802 O TRP A 56 1.735 0.183 2.551 1.00 0.00 O ATOM 803 CB TRP A 56 4.452 -0.607 1.350 1.00 0.00 C ATOM 804 CG TRP A 56 4.883 0.242 2.507 1.00 0.00 C ATOM 805 CD1 TRP A 56 5.314 1.537 2.457 1.00 0.00 C ATOM 806 CD2 TRP A 56 4.926 -0.144 3.885 1.00 0.00 C ATOM 807 NE1 TRP A 56 5.622 1.979 3.722 1.00 0.00 N ATOM 808 CE2 TRP A 56 5.392 0.967 4.615 1.00 0.00 C ATOM 809 CE3 TRP A 56 4.615 -1.320 4.573 1.00 0.00 C ATOM 810 CZ2 TRP A 56 5.554 0.933 5.997 1.00 0.00 C ATOM 811 CZ3 TRP A 56 4.777 -1.351 5.945 1.00 0.00 C ATOM 812 CH2 TRP A 56 5.242 -0.231 6.646 1.00 0.00 C ATOM 0 H TRP A 56 3.490 1.892 1.257 1.00 0.00 H new ATOM 0 HA TRP A 56 3.083 -0.590 -0.306 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.280 -1.625 1.700 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.261 -0.653 0.621 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.400 2.127 1.556 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.966 2.910 3.957 1.00 0.00 H new ATOM 0 HE3 TRP A 56 4.255 -2.189 4.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.914 1.795 6.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.541 -2.255 6.487 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.356 -0.287 7.718 1.00 0.00 H new ATOM 823 N PHE A 57 1.176 -1.394 1.047 1.00 0.00 N ATOM 824 CA PHE A 57 -0.027 -1.805 1.762 1.00 0.00 C ATOM 825 C PHE A 57 0.071 -3.264 2.197 1.00 0.00 C ATOM 826 O PHE A 57 0.720 -4.088 1.553 1.00 0.00 O ATOM 827 CB PHE A 57 -1.262 -1.605 0.881 1.00 0.00 C ATOM 828 CG PHE A 57 -1.342 -2.571 -0.267 1.00 0.00 C ATOM 829 CD1 PHE A 57 -1.606 -3.912 -0.044 1.00 0.00 C ATOM 830 CD2 PHE A 57 -1.153 -2.136 -1.569 1.00 0.00 C ATOM 831 CE1 PHE A 57 -1.681 -4.803 -1.098 1.00 0.00 C ATOM 832 CE2 PHE A 57 -1.227 -3.022 -2.627 1.00 0.00 C ATOM 833 CZ PHE A 57 -1.490 -4.358 -2.391 1.00 0.00 C ATOM 0 H PHE A 57 1.350 -1.909 0.184 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.120 -1.184 2.653 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.157 -1.708 1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.259 -0.588 0.490 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.755 -4.266 0.965 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.946 -1.093 -1.759 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.889 -5.846 -0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.079 -2.671 -3.638 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.546 -5.053 -3.216 1.00 0.00 H new ATOM 843 N PRO A 58 -0.588 -3.592 3.318 1.00 0.00 N ATOM 844 CA PRO A 58 -0.592 -4.951 3.866 1.00 0.00 C ATOM 845 C PRO A 58 -1.384 -5.924 2.999 1.00 0.00 C ATOM 846 O PRO A 58 -2.485 -5.611 2.546 1.00 0.00 O ATOM 847 CB PRO A 58 -1.264 -4.782 5.231 1.00 0.00 C ATOM 848 CG PRO A 58 -2.114 -3.568 5.087 1.00 0.00 C ATOM 849 CD PRO A 58 -1.382 -2.660 4.137 1.00 0.00 C ATOM 0 HA PRO A 58 0.412 -5.371 3.919 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.862 -5.656 5.489 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.526 -4.657 6.023 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.100 -3.826 4.699 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.267 -3.082 6.051 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.072 -2.076 3.527 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.747 -1.951 4.668 1.00 0.00 H new ATOM 857 N ALA A 59 -0.816 -7.104 2.772 1.00 0.00 N ATOM 858 CA ALA A 59 -1.471 -8.123 1.961 1.00 0.00 C ATOM 859 C ALA A 59 -2.456 -8.938 2.793 1.00 0.00 C ATOM 860 O ALA A 59 -3.289 -9.664 2.251 1.00 0.00 O ATOM 861 CB ALA A 59 -0.435 -9.035 1.322 1.00 0.00 C ATOM 0 H ALA A 59 0.096 -7.378 3.138 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.031 -7.620 1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.938 -9.791 0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.226 -8.446 0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.150 -9.523 2.101 1.00 0.00 H new ATOM 867 N SER A 60 -2.353 -8.813 4.112 1.00 0.00 N ATOM 868 CA SER A 60 -3.232 -9.542 5.020 1.00 0.00 C ATOM 869 C SER A 60 -4.524 -8.768 5.263 1.00 0.00 C ATOM 870 O SER A 60 -5.436 -9.255 5.932 1.00 0.00 O ATOM 871 CB SER A 60 -2.523 -9.803 6.350 1.00 0.00 C ATOM 872 OG SER A 60 -3.248 -10.729 7.141 1.00 0.00 O ATOM 0 H SER A 60 -1.670 -8.214 4.576 1.00 0.00 H new ATOM 0 HA SER A 60 -3.482 -10.496 4.556 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.520 -10.187 6.162 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.408 -8.866 6.895 1.00 0.00 H new ATOM 0 HG SER A 60 -4.209 -10.564 7.040 1.00 0.00 H new ATOM 878 N PHE A 61 -4.595 -7.560 4.714 1.00 0.00 N ATOM 879 CA PHE A 61 -5.775 -6.717 4.871 1.00 0.00 C ATOM 880 C PHE A 61 -6.382 -6.373 3.514 1.00 0.00 C ATOM 881 O PHE A 61 -7.070 -5.363 3.368 1.00 0.00 O ATOM 882 CB PHE A 61 -5.414 -5.434 5.622 1.00 0.00 C ATOM 883 CG PHE A 61 -5.539 -5.557 7.114 1.00 0.00 C ATOM 884 CD1 PHE A 61 -5.022 -6.659 7.777 1.00 0.00 C ATOM 885 CD2 PHE A 61 -6.173 -4.572 7.853 1.00 0.00 C ATOM 886 CE1 PHE A 61 -5.136 -6.775 9.149 1.00 0.00 C ATOM 887 CE2 PHE A 61 -6.289 -4.682 9.226 1.00 0.00 C ATOM 888 CZ PHE A 61 -5.769 -5.785 9.875 1.00 0.00 C ATOM 0 H PHE A 61 -3.850 -7.143 4.157 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.514 -7.272 5.449 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.391 -5.153 5.373 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.060 -4.627 5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.525 -7.436 7.215 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.582 -3.708 7.351 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.730 -7.639 9.654 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.785 -3.907 9.791 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.857 -5.873 10.948 1.00 0.00 H new ATOM 898 N VAL A 62 -6.120 -7.219 2.523 1.00 0.00 N ATOM 899 CA VAL A 62 -6.640 -7.006 1.178 1.00 0.00 C ATOM 900 C VAL A 62 -7.122 -8.314 0.561 1.00 0.00 C ATOM 901 O VAL A 62 -6.599 -9.386 0.867 1.00 0.00 O ATOM 902 CB VAL A 62 -5.576 -6.378 0.258 1.00 0.00 C ATOM 903 CG1 VAL A 62 -5.213 -4.981 0.737 1.00 0.00 C ATOM 904 CG2 VAL A 62 -4.342 -7.265 0.190 1.00 0.00 C ATOM 0 H VAL A 62 -5.550 -8.059 2.627 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.482 -6.319 1.269 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.992 -6.294 -0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.460 -4.553 0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.103 -4.351 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.816 -5.036 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.600 -6.807 -0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.922 -7.382 1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.618 -8.243 -0.204 1.00 0.00 H new ATOM 914 N ARG A 63 -8.121 -8.218 -0.310 1.00 0.00 N ATOM 915 CA ARG A 63 -8.674 -9.395 -0.970 1.00 0.00 C ATOM 916 C ARG A 63 -8.276 -9.429 -2.443 1.00 0.00 C ATOM 917 O ARG A 63 -8.669 -8.561 -3.223 1.00 0.00 O ATOM 918 CB ARG A 63 -10.199 -9.408 -0.842 1.00 0.00 C ATOM 919 CG ARG A 63 -10.700 -10.129 0.399 1.00 0.00 C ATOM 920 CD ARG A 63 -10.877 -11.618 0.144 1.00 0.00 C ATOM 921 NE ARG A 63 -9.631 -12.356 0.329 1.00 0.00 N ATOM 922 CZ ARG A 63 -9.505 -13.657 0.088 1.00 0.00 C ATOM 923 NH1 ARG A 63 -10.543 -14.358 -0.346 1.00 0.00 N ATOM 924 NH2 ARG A 63 -8.338 -14.258 0.280 1.00 0.00 N ATOM 0 H ARG A 63 -8.564 -7.338 -0.575 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.268 -10.280 -0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.563 -8.381 -0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.625 -9.884 -1.725 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.995 -9.980 1.217 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.650 -9.697 0.714 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.636 -12.014 0.818 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.242 -11.771 -0.872 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.813 -11.846 0.661 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.442 -13.899 -0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.443 -15.356 -0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.537 -13.722 0.613 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.242 -15.256 0.095 1.00 0.00 H new ATOM 938 N LEU A 64 -7.495 -10.436 -2.815 1.00 0.00 N ATOM 939 CA LEU A 64 -7.043 -10.584 -4.194 1.00 0.00 C ATOM 940 C LEU A 64 -8.220 -10.842 -5.129 1.00 0.00 C ATOM 941 O LEU A 64 -9.214 -11.454 -4.736 1.00 0.00 O ATOM 942 CB LEU A 64 -6.032 -11.728 -4.301 1.00 0.00 C ATOM 943 CG LEU A 64 -4.671 -11.484 -3.649 1.00 0.00 C ATOM 944 CD1 LEU A 64 -4.014 -12.803 -3.274 1.00 0.00 C ATOM 945 CD2 LEU A 64 -3.771 -10.682 -4.578 1.00 0.00 C ATOM 0 H LEU A 64 -7.161 -11.162 -2.181 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.562 -9.653 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.473 -12.619 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.873 -11.948 -5.357 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.825 -10.907 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.046 -12.609 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.651 -13.340 -2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.873 -13.407 -4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.806 -10.518 -4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.625 -11.232 -5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.237 -9.721 -4.795 1.00 0.00 H new ATOM 957 N TRP A 65 -8.100 -10.374 -6.366 1.00 0.00 N ATOM 958 CA TRP A 65 -9.155 -10.556 -7.357 1.00 0.00 C ATOM 959 C TRP A 65 -9.081 -11.946 -7.981 1.00 0.00 C ATOM 960 O TRP A 65 -10.089 -12.644 -8.085 1.00 0.00 O ATOM 961 CB TRP A 65 -9.048 -9.488 -8.447 1.00 0.00 C ATOM 962 CG TRP A 65 -9.624 -8.166 -8.041 1.00 0.00 C ATOM 963 CD1 TRP A 65 -10.171 -7.847 -6.830 1.00 0.00 C ATOM 964 CD2 TRP A 65 -9.713 -6.986 -8.846 1.00 0.00 C ATOM 965 NE1 TRP A 65 -10.594 -6.539 -6.835 1.00 0.00 N ATOM 966 CE2 TRP A 65 -10.323 -5.989 -8.060 1.00 0.00 C ATOM 967 CE3 TRP A 65 -9.334 -6.673 -10.155 1.00 0.00 C ATOM 968 CZ2 TRP A 65 -10.563 -4.705 -8.541 1.00 0.00 C ATOM 969 CZ3 TRP A 65 -9.573 -5.398 -10.631 1.00 0.00 C ATOM 970 CH2 TRP A 65 -10.182 -4.426 -9.826 1.00 0.00 C ATOM 0 H TRP A 65 -7.284 -9.866 -6.707 1.00 0.00 H new ATOM 0 HA TRP A 65 -10.116 -10.455 -6.852 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.999 -9.353 -8.712 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.560 -9.840 -9.342 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -10.258 -8.523 -5.992 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -11.038 -6.056 -6.054 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -8.863 -7.415 -10.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -11.033 -3.955 -7.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.285 -5.146 -11.641 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.354 -3.438 -10.227 1.00 0.00 H new ATOM 981 N VAL A 66 -7.881 -12.341 -8.394 1.00 0.00 N ATOM 982 CA VAL A 66 -7.677 -13.649 -9.007 1.00 0.00 C ATOM 983 C VAL A 66 -7.442 -14.721 -7.948 1.00 0.00 C ATOM 984 O VAL A 66 -6.562 -15.568 -8.093 1.00 0.00 O ATOM 985 CB VAL A 66 -6.482 -13.632 -9.979 1.00 0.00 C ATOM 986 CG1 VAL A 66 -6.703 -12.607 -11.080 1.00 0.00 C ATOM 987 CG2 VAL A 66 -5.189 -13.350 -9.228 1.00 0.00 C ATOM 0 H VAL A 66 -7.036 -11.775 -8.316 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.585 -13.884 -9.563 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.399 -14.615 -10.443 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.848 -12.610 -11.757 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.606 -12.859 -11.636 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.813 -11.617 -10.638 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.355 -13.342 -9.930 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.258 -12.380 -8.735 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.026 -14.126 -8.480 1.00 0.00 H new ATOM 997 N ASN A 67 -8.236 -14.677 -6.883 1.00 0.00 N ATOM 998 CA ASN A 67 -8.115 -15.645 -5.799 1.00 0.00 C ATOM 999 C ASN A 67 -8.838 -16.943 -6.146 1.00 0.00 C ATOM 1000 O ASN A 67 -9.869 -16.929 -6.816 1.00 0.00 O ATOM 1001 CB ASN A 67 -8.681 -15.063 -4.502 1.00 0.00 C ATOM 1002 CG ASN A 67 -9.149 -16.139 -3.542 1.00 0.00 C ATOM 1003 OD1 ASN A 67 -8.408 -17.069 -3.225 1.00 0.00 O ATOM 1004 ND2 ASN A 67 -10.386 -16.016 -3.074 1.00 0.00 N ATOM 0 H ASN A 67 -8.970 -13.982 -6.748 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.057 -15.866 -5.658 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.918 -14.454 -4.017 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.515 -14.402 -4.737 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.757 -16.709 -2.424 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.965 -15.228 -3.364 1.00 0.00 H new ATOM 1011 N GLN A 68 -8.289 -18.061 -5.683 1.00 0.00 N ATOM 1012 CA GLN A 68 -8.881 -19.367 -5.944 1.00 0.00 C ATOM 1013 C GLN A 68 -9.388 -20.003 -4.654 1.00 0.00 C ATOM 1014 O GLN A 68 -9.299 -21.217 -4.473 1.00 0.00 O ATOM 1015 CB GLN A 68 -7.861 -20.289 -6.615 1.00 0.00 C ATOM 1016 CG GLN A 68 -6.622 -20.541 -5.771 1.00 0.00 C ATOM 1017 CD GLN A 68 -6.788 -21.715 -4.826 1.00 0.00 C ATOM 1018 OE1 GLN A 68 -7.140 -22.819 -5.245 1.00 0.00 O ATOM 1019 NE2 GLN A 68 -6.536 -21.484 -3.543 1.00 0.00 N ATOM 0 H GLN A 68 -7.435 -18.088 -5.125 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.728 -19.226 -6.615 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.338 -21.243 -6.839 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.559 -19.852 -7.567 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.771 -20.725 -6.427 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.392 -19.645 -5.194 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.247 -20.554 -3.239 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.632 -22.236 -2.861 1.00 0.00 H new ATOM 1028 N GLU A 69 -9.918 -19.174 -3.760 1.00 0.00 N ATOM 1029 CA GLU A 69 -10.438 -19.657 -2.486 1.00 0.00 C ATOM 1030 C GLU A 69 -11.847 -19.128 -2.237 1.00 0.00 C ATOM 1031 O GLU A 69 -12.239 -18.096 -2.782 1.00 0.00 O ATOM 1032 CB GLU A 69 -9.514 -19.236 -1.341 1.00 0.00 C ATOM 1033 CG GLU A 69 -10.040 -19.609 0.035 1.00 0.00 C ATOM 1034 CD GLU A 69 -8.968 -19.550 1.106 1.00 0.00 C ATOM 1035 OE1 GLU A 69 -8.760 -18.460 1.678 1.00 0.00 O ATOM 1036 OE2 GLU A 69 -8.338 -20.595 1.371 1.00 0.00 O ATOM 0 H GLU A 69 -9.999 -18.166 -3.894 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.480 -20.745 -2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.537 -19.698 -1.485 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.365 -18.157 -1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.854 -18.935 0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.458 -20.615 -0.000 1.00 0.00 H new ATOM 1043 N ASP A 70 -12.604 -19.842 -1.411 1.00 0.00 N ATOM 1044 CA ASP A 70 -13.970 -19.445 -1.090 1.00 0.00 C ATOM 1045 C ASP A 70 -14.226 -19.546 0.411 1.00 0.00 C ATOM 1046 O ASP A 70 -14.135 -20.626 0.994 1.00 0.00 O ATOM 1047 CB ASP A 70 -14.970 -20.318 -1.850 1.00 0.00 C ATOM 1048 CG ASP A 70 -15.053 -21.725 -1.291 1.00 0.00 C ATOM 1049 OD1 ASP A 70 -14.206 -22.563 -1.663 1.00 0.00 O ATOM 1050 OD2 ASP A 70 -15.965 -21.987 -0.479 1.00 0.00 O ATOM 0 H ASP A 70 -12.295 -20.699 -0.952 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.102 -18.407 -1.395 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.956 -19.855 -1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.683 -20.364 -2.900 1.00 0.00 H new ATOM 1055 N GLU A 71 -14.545 -18.414 1.029 1.00 0.00 N ATOM 1056 CA GLU A 71 -14.812 -18.376 2.462 1.00 0.00 C ATOM 1057 C GLU A 71 -16.310 -18.274 2.734 1.00 0.00 C ATOM 1058 O GLU A 71 -17.060 -17.711 1.937 1.00 0.00 O ATOM 1059 CB GLU A 71 -14.084 -17.195 3.108 1.00 0.00 C ATOM 1060 CG GLU A 71 -12.611 -17.458 3.373 1.00 0.00 C ATOM 1061 CD GLU A 71 -12.380 -18.728 4.169 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -13.260 -19.088 4.978 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -11.319 -19.360 3.984 1.00 0.00 O ATOM 0 H GLU A 71 -14.625 -17.511 0.561 1.00 0.00 H new ATOM 0 HA GLU A 71 -14.443 -19.304 2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.178 -16.323 2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.575 -16.947 4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.081 -17.528 2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.186 -16.612 3.914 1.00 0.00 H new ATOM 1070 N VAL A 72 -16.739 -18.825 3.866 1.00 0.00 N ATOM 1071 CA VAL A 72 -18.146 -18.797 4.244 1.00 0.00 C ATOM 1072 C VAL A 72 -18.356 -17.995 5.524 1.00 0.00 C ATOM 1073 O VAL A 72 -18.157 -18.505 6.626 1.00 0.00 O ATOM 1074 CB VAL A 72 -18.702 -20.220 4.446 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -20.120 -20.167 4.993 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -18.654 -21.000 3.141 1.00 0.00 C ATOM 0 H VAL A 72 -16.131 -19.296 4.537 1.00 0.00 H new ATOM 0 HA VAL A 72 -18.683 -18.318 3.426 1.00 0.00 H new ATOM 0 HB VAL A 72 -18.077 -20.736 5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -20.496 -21.181 5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -20.121 -19.648 5.952 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -20.761 -19.634 4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -19.050 -22.003 3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -19.255 -20.488 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -17.622 -21.069 2.796 1.00 0.00 H new ATOM 1086 N GLU A 73 -18.758 -16.738 5.369 1.00 0.00 N ATOM 1087 CA GLU A 73 -18.994 -15.866 6.513 1.00 0.00 C ATOM 1088 C GLU A 73 -19.688 -14.577 6.081 1.00 0.00 C ATOM 1089 O GLU A 73 -19.142 -13.798 5.300 1.00 0.00 O ATOM 1090 CB GLU A 73 -17.674 -15.537 7.212 1.00 0.00 C ATOM 1091 CG GLU A 73 -17.843 -15.097 8.657 1.00 0.00 C ATOM 1092 CD GLU A 73 -18.906 -14.027 8.820 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -18.716 -12.915 8.285 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -19.928 -14.303 9.483 1.00 0.00 O ATOM 0 H GLU A 73 -18.927 -16.301 4.463 1.00 0.00 H new ATOM 0 HA GLU A 73 -19.645 -16.393 7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -17.028 -16.414 7.181 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -17.166 -14.748 6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -18.106 -15.961 9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.892 -14.719 9.032 1.00 0.00 H new ATOM 1101 N GLU A 74 -20.895 -14.361 6.594 1.00 0.00 N ATOM 1102 CA GLU A 74 -21.664 -13.167 6.260 1.00 0.00 C ATOM 1103 C GLU A 74 -22.096 -12.427 7.522 1.00 0.00 C ATOM 1104 O GLU A 74 -22.033 -11.200 7.588 1.00 0.00 O ATOM 1105 CB GLU A 74 -22.893 -13.542 5.429 1.00 0.00 C ATOM 1106 CG GLU A 74 -23.694 -14.694 6.013 1.00 0.00 C ATOM 1107 CD GLU A 74 -22.978 -16.025 5.885 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -22.317 -16.247 4.849 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -23.080 -16.845 6.821 1.00 0.00 O ATOM 0 H GLU A 74 -21.361 -14.996 7.242 1.00 0.00 H new ATOM 0 HA GLU A 74 -21.025 -12.506 5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -23.540 -12.670 5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -22.573 -13.807 4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.897 -14.494 7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -24.658 -14.754 5.508 1.00 0.00 H new ATOM 1116 N GLY A 75 -22.535 -13.183 8.524 1.00 0.00 N ATOM 1117 CA GLY A 75 -22.972 -12.583 9.771 1.00 0.00 C ATOM 1118 C GLY A 75 -24.317 -11.896 9.644 1.00 0.00 C ATOM 1119 O GLY A 75 -24.586 -11.222 8.649 1.00 0.00 O ATOM 0 H GLY A 75 -22.596 -14.201 8.494 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -23.032 -13.353 10.540 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -22.228 -11.859 10.103 1.00 0.00 H new ATOM 1123 N SER A 76 -25.165 -12.068 10.653 1.00 0.00 N ATOM 1124 CA SER A 76 -26.492 -11.464 10.647 1.00 0.00 C ATOM 1125 C SER A 76 -27.003 -11.262 12.070 1.00 0.00 C ATOM 1126 O SER A 76 -26.329 -11.609 13.039 1.00 0.00 O ATOM 1127 CB SER A 76 -27.471 -12.340 9.861 1.00 0.00 C ATOM 1128 OG SER A 76 -27.084 -12.443 8.502 1.00 0.00 O ATOM 0 H SER A 76 -24.957 -12.620 11.485 1.00 0.00 H new ATOM 0 HA SER A 76 -26.419 -10.490 10.164 1.00 0.00 H new ATOM 0 HB2 SER A 76 -27.513 -13.334 10.307 1.00 0.00 H new ATOM 0 HB3 SER A 76 -28.474 -11.918 9.926 1.00 0.00 H new ATOM 0 HG SER A 76 -27.724 -13.009 8.022 1.00 0.00 H new ATOM 1134 N GLY A 77 -28.201 -10.697 12.188 1.00 0.00 N ATOM 1135 CA GLY A 77 -28.783 -10.457 13.495 1.00 0.00 C ATOM 1136 C GLY A 77 -28.662 -9.009 13.927 1.00 0.00 C ATOM 1137 O GLY A 77 -27.910 -8.673 14.842 1.00 0.00 O ATOM 0 H GLY A 77 -28.779 -10.401 11.401 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -29.835 -10.741 13.478 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -28.292 -11.094 14.230 1.00 0.00 H new ATOM 1141 N PRO A 78 -29.416 -8.123 13.258 1.00 0.00 N ATOM 1142 CA PRO A 78 -29.406 -6.689 13.560 1.00 0.00 C ATOM 1143 C PRO A 78 -30.055 -6.375 14.904 1.00 0.00 C ATOM 1144 O PRO A 78 -29.494 -5.643 15.719 1.00 0.00 O ATOM 1145 CB PRO A 78 -30.222 -6.080 12.417 1.00 0.00 C ATOM 1146 CG PRO A 78 -31.114 -7.183 11.959 1.00 0.00 C ATOM 1147 CD PRO A 78 -30.335 -8.454 12.157 1.00 0.00 C ATOM 0 HA PRO A 78 -28.392 -6.295 13.635 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -30.799 -5.220 12.757 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -29.576 -5.732 11.611 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -32.040 -7.200 12.533 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -31.390 -7.053 10.912 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -30.987 -9.289 12.415 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -29.794 -8.739 11.254 1.00 0.00 H new ATOM 1155 N SER A 79 -31.241 -6.933 15.128 1.00 0.00 N ATOM 1156 CA SER A 79 -31.968 -6.709 16.372 1.00 0.00 C ATOM 1157 C SER A 79 -33.211 -7.592 16.441 1.00 0.00 C ATOM 1158 O SER A 79 -33.576 -8.245 15.464 1.00 0.00 O ATOM 1159 CB SER A 79 -32.366 -5.237 16.497 1.00 0.00 C ATOM 1160 OG SER A 79 -33.348 -4.891 15.536 1.00 0.00 O ATOM 0 H SER A 79 -31.718 -7.543 14.464 1.00 0.00 H new ATOM 0 HA SER A 79 -31.311 -6.971 17.201 1.00 0.00 H new ATOM 0 HB2 SER A 79 -32.750 -5.045 17.499 1.00 0.00 H new ATOM 0 HB3 SER A 79 -31.486 -4.607 16.366 1.00 0.00 H new ATOM 0 HG SER A 79 -33.587 -3.946 15.638 1.00 0.00 H new ATOM 1166 N SER A 80 -33.856 -7.605 17.603 1.00 0.00 N ATOM 1167 CA SER A 80 -35.055 -8.409 17.802 1.00 0.00 C ATOM 1168 C SER A 80 -35.885 -7.869 18.963 1.00 0.00 C ATOM 1169 O SER A 80 -35.368 -7.632 20.054 1.00 0.00 O ATOM 1170 CB SER A 80 -34.679 -9.868 18.066 1.00 0.00 C ATOM 1171 OG SER A 80 -35.832 -10.658 18.300 1.00 0.00 O ATOM 0 H SER A 80 -33.568 -7.068 18.421 1.00 0.00 H new ATOM 0 HA SER A 80 -35.654 -8.354 16.893 1.00 0.00 H new ATOM 0 HB2 SER A 80 -34.129 -10.265 17.213 1.00 0.00 H new ATOM 0 HB3 SER A 80 -34.014 -9.925 18.928 1.00 0.00 H new ATOM 0 HG SER A 80 -35.565 -11.586 18.464 1.00 0.00 H new ATOM 1177 N GLY A 81 -37.178 -7.675 18.719 1.00 0.00 N ATOM 1178 CA GLY A 81 -38.060 -7.164 19.752 1.00 0.00 C ATOM 1179 C GLY A 81 -38.593 -8.260 20.653 1.00 0.00 C ATOM 1180 O GLY A 81 -39.033 -7.993 21.771 1.00 0.00 O ATOM 0 H GLY A 81 -37.630 -7.863 17.824 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -37.523 -6.432 20.355 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -38.896 -6.642 19.286 1.00 0.00 H new TER 1184 GLY A 81