USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 563 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+ -139:sc= 0.0225 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 38:sc= 0.552 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.376) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -158:sc=0.000161 (180deg=-0.346) USER MOD Single : A 36 HIS : no HD1:sc= -3.42! C(o=-3.4!,f=-8.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.952 K(o=-0.95,f=-2!) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -1.17 F(o=-2.2!,f=-1.2) USER MOD Single : A 46 THR OG1 : rot -40:sc= 0.172 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.319 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.196 K(o=-0.2,f=-2.4!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -3.24! C(o=-3.2!,f=-5.8!) USER MOD Single : A 68 TYR OH : rot 6:sc= 0.476 USER MOD Single : A 70 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.32) USER MOD Single : A 73 SER OG : rot 6:sc= 1.18 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 76:sc= 0.344 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.995 -15.422 20.474 1.00 0.00 N ATOM 2 CA GLY A 1 0.357 -14.134 20.670 1.00 0.00 C ATOM 3 C GLY A 1 -0.676 -13.830 19.603 1.00 0.00 C ATOM 4 O GLY A 1 -1.329 -14.736 19.085 1.00 0.00 O ATOM 0 H1 GLY A 1 1.105 -15.898 21.392 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.408 -16.009 19.847 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.931 -15.284 20.042 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.120 -14.114 21.650 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.116 -13.352 20.669 1.00 0.00 H new ATOM 8 N SER A 2 -0.827 -12.550 19.275 1.00 0.00 N ATOM 9 CA SER A 2 -1.792 -12.128 18.267 1.00 0.00 C ATOM 10 C SER A 2 -1.806 -13.098 17.089 1.00 0.00 C ATOM 11 O SER A 2 -0.804 -13.749 16.794 1.00 0.00 O ATOM 12 CB SER A 2 -1.466 -10.717 17.777 1.00 0.00 C ATOM 13 OG SER A 2 -2.464 -10.240 16.891 1.00 0.00 O ATOM 0 H SER A 2 -0.293 -11.788 19.693 1.00 0.00 H new ATOM 0 HA SER A 2 -2.781 -12.126 18.725 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.381 -10.043 18.630 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.499 -10.718 17.274 1.00 0.00 H new ATOM 0 HG SER A 2 -2.232 -9.335 16.594 1.00 0.00 H new ATOM 19 N SER A 3 -2.950 -13.188 16.418 1.00 0.00 N ATOM 20 CA SER A 3 -3.098 -14.080 15.274 1.00 0.00 C ATOM 21 C SER A 3 -3.435 -13.292 14.011 1.00 0.00 C ATOM 22 O SER A 3 -3.677 -12.087 14.064 1.00 0.00 O ATOM 23 CB SER A 3 -4.187 -15.119 15.547 1.00 0.00 C ATOM 24 OG SER A 3 -3.771 -16.045 16.536 1.00 0.00 O ATOM 0 H SER A 3 -3.788 -12.654 16.647 1.00 0.00 H new ATOM 0 HA SER A 3 -2.149 -14.593 15.119 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.098 -14.618 15.873 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.427 -15.649 14.626 1.00 0.00 H new ATOM 0 HG SER A 3 -4.485 -16.698 16.694 1.00 0.00 H new ATOM 30 N GLY A 4 -3.450 -13.984 12.876 1.00 0.00 N ATOM 31 CA GLY A 4 -3.758 -13.335 11.615 1.00 0.00 C ATOM 32 C GLY A 4 -2.545 -13.209 10.716 1.00 0.00 C ATOM 33 O GLY A 4 -1.415 -13.114 11.196 1.00 0.00 O ATOM 0 H GLY A 4 -3.254 -14.983 12.807 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.532 -13.902 11.098 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.166 -12.343 11.811 1.00 0.00 H new ATOM 37 N SER A 5 -2.777 -13.209 9.407 1.00 0.00 N ATOM 38 CA SER A 5 -1.693 -13.100 8.438 1.00 0.00 C ATOM 39 C SER A 5 -1.057 -11.714 8.490 1.00 0.00 C ATOM 40 O SER A 5 -1.695 -10.713 8.164 1.00 0.00 O ATOM 41 CB SER A 5 -2.212 -13.383 7.027 1.00 0.00 C ATOM 42 OG SER A 5 -3.213 -12.452 6.655 1.00 0.00 O ATOM 0 H SER A 5 -3.706 -13.283 8.993 1.00 0.00 H new ATOM 0 HA SER A 5 -0.934 -13.839 8.693 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.387 -13.337 6.317 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.616 -14.394 6.981 1.00 0.00 H new ATOM 0 HG SER A 5 -2.978 -11.564 6.997 1.00 0.00 H new ATOM 48 N SER A 6 0.206 -11.665 8.901 1.00 0.00 N ATOM 49 CA SER A 6 0.929 -10.402 8.999 1.00 0.00 C ATOM 50 C SER A 6 1.261 -9.857 7.613 1.00 0.00 C ATOM 51 O SER A 6 2.363 -10.056 7.103 1.00 0.00 O ATOM 52 CB SER A 6 2.215 -10.588 9.807 1.00 0.00 C ATOM 53 OG SER A 6 1.927 -10.859 11.168 1.00 0.00 O ATOM 0 H SER A 6 0.750 -12.485 9.171 1.00 0.00 H new ATOM 0 HA SER A 6 0.288 -9.683 9.509 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.798 -11.407 9.385 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.828 -9.689 9.733 1.00 0.00 H new ATOM 0 HG SER A 6 2.765 -10.976 11.663 1.00 0.00 H new ATOM 59 N GLY A 7 0.298 -9.167 7.009 1.00 0.00 N ATOM 60 CA GLY A 7 0.506 -8.603 5.688 1.00 0.00 C ATOM 61 C GLY A 7 -0.754 -7.981 5.119 1.00 0.00 C ATOM 62 O GLY A 7 -1.380 -8.543 4.220 1.00 0.00 O ATOM 0 H GLY A 7 -0.622 -8.989 7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.290 -7.847 5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.858 -9.384 5.014 1.00 0.00 H new ATOM 66 N ASP A 8 -1.127 -6.819 5.643 1.00 0.00 N ATOM 67 CA ASP A 8 -2.321 -6.120 5.182 1.00 0.00 C ATOM 68 C ASP A 8 -1.947 -4.865 4.399 1.00 0.00 C ATOM 69 O ASP A 8 -0.967 -4.192 4.717 1.00 0.00 O ATOM 70 CB ASP A 8 -3.212 -5.750 6.369 1.00 0.00 C ATOM 71 CG ASP A 8 -4.674 -5.639 5.983 1.00 0.00 C ATOM 72 OD1 ASP A 8 -5.112 -6.399 5.094 1.00 0.00 O ATOM 73 OD2 ASP A 8 -5.379 -4.792 6.570 1.00 0.00 O ATOM 0 H ASP A 8 -0.620 -6.341 6.388 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.871 -6.789 4.520 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.102 -6.502 7.151 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.877 -4.802 6.789 1.00 0.00 H new ATOM 78 N TYR A 9 -2.734 -4.557 3.374 1.00 0.00 N ATOM 79 CA TYR A 9 -2.484 -3.385 2.544 1.00 0.00 C ATOM 80 C TYR A 9 -2.411 -2.121 3.394 1.00 0.00 C ATOM 81 O TYR A 9 -1.380 -1.448 3.438 1.00 0.00 O ATOM 82 CB TYR A 9 -3.580 -3.240 1.487 1.00 0.00 C ATOM 83 CG TYR A 9 -3.725 -4.451 0.594 1.00 0.00 C ATOM 84 CD1 TYR A 9 -2.620 -5.220 0.249 1.00 0.00 C ATOM 85 CD2 TYR A 9 -4.965 -4.826 0.093 1.00 0.00 C ATOM 86 CE1 TYR A 9 -2.747 -6.328 -0.567 1.00 0.00 C ATOM 87 CE2 TYR A 9 -5.102 -5.933 -0.723 1.00 0.00 C ATOM 88 CZ TYR A 9 -3.990 -6.680 -1.050 1.00 0.00 C ATOM 89 OH TYR A 9 -4.121 -7.782 -1.864 1.00 0.00 O ATOM 0 H TYR A 9 -3.550 -5.103 3.098 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.524 -3.522 2.046 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.531 -3.051 1.985 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.365 -2.368 0.870 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.645 -4.947 0.625 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.838 -4.242 0.346 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.878 -6.915 -0.825 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.074 -6.211 -1.102 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.062 -7.892 -2.116 1.00 0.00 H new ATOM 99 N TYR A 10 -3.511 -1.804 4.067 1.00 0.00 N ATOM 100 CA TYR A 10 -3.574 -0.620 4.916 1.00 0.00 C ATOM 101 C TYR A 10 -2.304 -0.480 5.750 1.00 0.00 C ATOM 102 O TYR A 10 -1.785 0.621 5.930 1.00 0.00 O ATOM 103 CB TYR A 10 -4.796 -0.688 5.833 1.00 0.00 C ATOM 104 CG TYR A 10 -6.104 -0.434 5.118 1.00 0.00 C ATOM 105 CD1 TYR A 10 -6.285 0.704 4.342 1.00 0.00 C ATOM 106 CD2 TYR A 10 -7.158 -1.334 5.218 1.00 0.00 C ATOM 107 CE1 TYR A 10 -7.479 0.940 3.689 1.00 0.00 C ATOM 108 CE2 TYR A 10 -8.355 -1.106 4.567 1.00 0.00 C ATOM 109 CZ TYR A 10 -8.511 0.032 3.804 1.00 0.00 C ATOM 110 OH TYR A 10 -9.701 0.263 3.153 1.00 0.00 O ATOM 0 H TYR A 10 -4.372 -2.351 4.041 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.661 0.254 4.271 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.833 -1.671 6.303 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.681 0.043 6.633 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.479 1.416 4.248 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.039 -2.226 5.815 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.604 1.831 3.091 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.164 -1.815 4.655 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.322 -0.472 3.336 1.00 0.00 H new ATOM 120 N GLU A 11 -1.810 -1.605 6.258 1.00 0.00 N ATOM 121 CA GLU A 11 -0.602 -1.608 7.074 1.00 0.00 C ATOM 122 C GLU A 11 0.632 -1.329 6.220 1.00 0.00 C ATOM 123 O GLU A 11 1.443 -0.462 6.547 1.00 0.00 O ATOM 124 CB GLU A 11 -0.447 -2.951 7.791 1.00 0.00 C ATOM 125 CG GLU A 11 -1.490 -3.189 8.870 1.00 0.00 C ATOM 126 CD GLU A 11 -1.371 -4.561 9.505 1.00 0.00 C ATOM 127 OE1 GLU A 11 -0.259 -4.911 9.952 1.00 0.00 O ATOM 128 OE2 GLU A 11 -2.388 -5.283 9.554 1.00 0.00 O ATOM 0 H GLU A 11 -2.228 -2.525 6.119 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.695 -0.816 7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.506 -3.754 7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.545 -3.002 8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.389 -2.426 9.642 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.485 -3.077 8.439 1.00 0.00 H new ATOM 135 N ILE A 12 0.767 -2.071 5.126 1.00 0.00 N ATOM 136 CA ILE A 12 1.900 -1.904 4.226 1.00 0.00 C ATOM 137 C ILE A 12 2.160 -0.430 3.936 1.00 0.00 C ATOM 138 O ILE A 12 3.268 -0.045 3.560 1.00 0.00 O ATOM 139 CB ILE A 12 1.676 -2.645 2.894 1.00 0.00 C ATOM 140 CG1 ILE A 12 1.751 -4.158 3.109 1.00 0.00 C ATOM 141 CG2 ILE A 12 2.700 -2.200 1.861 1.00 0.00 C ATOM 142 CD1 ILE A 12 1.305 -4.961 1.907 1.00 0.00 C ATOM 0 H ILE A 12 0.105 -2.794 4.842 1.00 0.00 H new ATOM 0 HA ILE A 12 2.767 -2.332 4.729 1.00 0.00 H new ATOM 0 HB ILE A 12 0.682 -2.398 2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.776 -4.431 3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.132 -4.426 3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.528 -2.733 0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.603 -1.128 1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.703 -2.420 2.225 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.384 -6.025 2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.270 -4.716 1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.939 -4.721 1.054 1.00 0.00 H new ATOM 154 N LEU A 13 1.132 0.393 4.116 1.00 0.00 N ATOM 155 CA LEU A 13 1.249 1.827 3.877 1.00 0.00 C ATOM 156 C LEU A 13 1.254 2.600 5.192 1.00 0.00 C ATOM 157 O LEU A 13 1.745 3.726 5.259 1.00 0.00 O ATOM 158 CB LEU A 13 0.099 2.311 2.992 1.00 0.00 C ATOM 159 CG LEU A 13 -0.157 1.501 1.721 1.00 0.00 C ATOM 160 CD1 LEU A 13 -1.577 1.721 1.224 1.00 0.00 C ATOM 161 CD2 LEU A 13 0.851 1.868 0.641 1.00 0.00 C ATOM 0 H LEU A 13 0.208 0.091 4.427 1.00 0.00 H new ATOM 0 HA LEU A 13 2.195 2.010 3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.814 2.314 3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.297 3.344 2.707 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.037 0.444 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.740 1.136 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.284 1.406 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.726 2.778 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.653 1.281 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.764 2.929 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.859 1.657 0.997 1.00 0.00 H new ATOM 173 N GLY A 14 0.707 1.986 6.236 1.00 0.00 N ATOM 174 CA GLY A 14 0.660 2.630 7.535 1.00 0.00 C ATOM 175 C GLY A 14 -0.460 3.646 7.639 1.00 0.00 C ATOM 176 O GLY A 14 -0.216 4.828 7.880 1.00 0.00 O ATOM 0 H GLY A 14 0.295 1.053 6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.532 1.872 8.308 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.613 3.123 7.727 1.00 0.00 H new ATOM 180 N VAL A 15 -1.693 3.185 7.456 1.00 0.00 N ATOM 181 CA VAL A 15 -2.856 4.061 7.530 1.00 0.00 C ATOM 182 C VAL A 15 -4.026 3.366 8.216 1.00 0.00 C ATOM 183 O VAL A 15 -3.920 2.210 8.627 1.00 0.00 O ATOM 184 CB VAL A 15 -3.299 4.525 6.130 1.00 0.00 C ATOM 185 CG1 VAL A 15 -2.191 5.319 5.455 1.00 0.00 C ATOM 186 CG2 VAL A 15 -3.707 3.333 5.278 1.00 0.00 C ATOM 0 H VAL A 15 -1.912 2.209 7.255 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.559 4.931 8.117 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.165 5.177 6.240 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.522 5.638 4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.952 6.195 6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.304 4.694 5.356 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.017 3.680 4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.861 2.653 5.174 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.536 2.811 5.756 1.00 0.00 H new ATOM 196 N SER A 16 -5.142 4.077 8.338 1.00 0.00 N ATOM 197 CA SER A 16 -6.332 3.530 8.978 1.00 0.00 C ATOM 198 C SER A 16 -7.263 2.900 7.946 1.00 0.00 C ATOM 199 O SER A 16 -7.194 3.215 6.758 1.00 0.00 O ATOM 200 CB SER A 16 -7.073 4.625 9.748 1.00 0.00 C ATOM 201 OG SER A 16 -6.379 4.973 10.934 1.00 0.00 O ATOM 0 H SER A 16 -5.247 5.034 8.002 1.00 0.00 H new ATOM 0 HA SER A 16 -6.015 2.756 9.677 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.185 5.506 9.116 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.077 4.282 9.998 1.00 0.00 H new ATOM 0 HG SER A 16 -6.872 5.676 11.407 1.00 0.00 H new ATOM 207 N ARG A 17 -8.132 2.008 8.409 1.00 0.00 N ATOM 208 CA ARG A 17 -9.077 1.332 7.527 1.00 0.00 C ATOM 209 C ARG A 17 -10.166 2.292 7.059 1.00 0.00 C ATOM 210 O ARG A 17 -11.083 2.621 7.811 1.00 0.00 O ATOM 211 CB ARG A 17 -9.708 0.136 8.242 1.00 0.00 C ATOM 212 CG ARG A 17 -8.781 -1.062 8.360 1.00 0.00 C ATOM 213 CD ARG A 17 -9.243 -2.020 9.448 1.00 0.00 C ATOM 214 NE ARG A 17 -8.822 -1.584 10.776 1.00 0.00 N ATOM 215 CZ ARG A 17 -8.684 -2.406 11.810 1.00 0.00 C ATOM 216 NH1 ARG A 17 -8.932 -3.701 11.670 1.00 0.00 N ATOM 217 NH2 ARG A 17 -8.296 -1.933 12.988 1.00 0.00 N ATOM 0 H ARG A 17 -8.202 1.736 9.390 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.530 0.977 6.653 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.019 0.443 9.240 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.608 -0.164 7.705 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.740 -1.587 7.405 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.770 -0.720 8.580 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.330 -2.102 9.421 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.843 -3.014 9.249 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.623 -0.594 10.918 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.230 -4.068 10.766 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.825 -4.330 12.466 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.104 -0.938 13.100 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.190 -2.565 13.782 1.00 0.00 H new ATOM 231 N GLY A 18 -10.059 2.738 5.811 1.00 0.00 N ATOM 232 CA GLY A 18 -11.041 3.656 5.265 1.00 0.00 C ATOM 233 C GLY A 18 -10.422 4.962 4.807 1.00 0.00 C ATOM 234 O GLY A 18 -11.125 5.948 4.590 1.00 0.00 O ATOM 0 H GLY A 18 -9.310 2.480 5.169 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.548 3.183 4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.800 3.862 6.020 1.00 0.00 H new ATOM 238 N ALA A 19 -9.101 4.969 4.660 1.00 0.00 N ATOM 239 CA ALA A 19 -8.387 6.164 4.225 1.00 0.00 C ATOM 240 C ALA A 19 -8.729 6.511 2.780 1.00 0.00 C ATOM 241 O ALA A 19 -8.717 5.647 1.904 1.00 0.00 O ATOM 242 CB ALA A 19 -6.887 5.968 4.381 1.00 0.00 C ATOM 0 H ALA A 19 -8.504 4.161 4.836 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.701 6.995 4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.366 6.868 4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.652 5.775 5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.566 5.121 3.775 1.00 0.00 H new ATOM 248 N SER A 20 -9.035 7.782 2.538 1.00 0.00 N ATOM 249 CA SER A 20 -9.386 8.243 1.200 1.00 0.00 C ATOM 250 C SER A 20 -8.199 8.108 0.251 1.00 0.00 C ATOM 251 O SER A 20 -7.134 7.624 0.636 1.00 0.00 O ATOM 252 CB SER A 20 -9.854 9.699 1.245 1.00 0.00 C ATOM 253 OG SER A 20 -10.775 9.906 2.302 1.00 0.00 O ATOM 0 H SER A 20 -9.047 8.511 3.252 1.00 0.00 H new ATOM 0 HA SER A 20 -10.199 7.619 0.829 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.994 10.357 1.373 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.319 9.964 0.296 1.00 0.00 H new ATOM 0 HG SER A 20 -11.058 10.844 2.311 1.00 0.00 H new ATOM 259 N ASP A 21 -8.390 8.539 -0.991 1.00 0.00 N ATOM 260 CA ASP A 21 -7.336 8.467 -1.996 1.00 0.00 C ATOM 261 C ASP A 21 -6.164 9.367 -1.619 1.00 0.00 C ATOM 262 O ASP A 21 -5.021 9.100 -1.987 1.00 0.00 O ATOM 263 CB ASP A 21 -7.882 8.868 -3.368 1.00 0.00 C ATOM 264 CG ASP A 21 -9.199 8.188 -3.688 1.00 0.00 C ATOM 265 OD1 ASP A 21 -9.183 6.974 -3.980 1.00 0.00 O ATOM 266 OD2 ASP A 21 -10.245 8.869 -3.647 1.00 0.00 O ATOM 0 H ASP A 21 -9.265 8.942 -1.326 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.981 7.438 -2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.017 9.949 -3.400 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.150 8.615 -4.135 1.00 0.00 H new ATOM 271 N GLU A 22 -6.457 10.436 -0.884 1.00 0.00 N ATOM 272 CA GLU A 22 -5.427 11.376 -0.459 1.00 0.00 C ATOM 273 C GLU A 22 -4.544 10.763 0.624 1.00 0.00 C ATOM 274 O GLU A 22 -3.317 10.772 0.519 1.00 0.00 O ATOM 275 CB GLU A 22 -6.065 12.667 0.057 1.00 0.00 C ATOM 276 CG GLU A 22 -6.641 12.543 1.458 1.00 0.00 C ATOM 277 CD GLU A 22 -7.359 13.801 1.907 1.00 0.00 C ATOM 278 OE1 GLU A 22 -8.578 13.909 1.661 1.00 0.00 O ATOM 279 OE2 GLU A 22 -6.700 14.678 2.504 1.00 0.00 O ATOM 0 H GLU A 22 -7.399 10.672 -0.571 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.804 11.608 -1.323 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.317 13.460 0.049 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.858 12.970 -0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.335 11.703 1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.837 12.318 2.159 1.00 0.00 H new ATOM 286 N ASP A 23 -5.177 10.232 1.664 1.00 0.00 N ATOM 287 CA ASP A 23 -4.450 9.614 2.767 1.00 0.00 C ATOM 288 C ASP A 23 -3.554 8.487 2.264 1.00 0.00 C ATOM 289 O ASP A 23 -2.401 8.363 2.681 1.00 0.00 O ATOM 290 CB ASP A 23 -5.429 9.076 3.813 1.00 0.00 C ATOM 291 CG ASP A 23 -4.847 9.091 5.212 1.00 0.00 C ATOM 292 OD1 ASP A 23 -3.617 8.918 5.346 1.00 0.00 O ATOM 293 OD2 ASP A 23 -5.621 9.277 6.174 1.00 0.00 O ATOM 0 H ASP A 23 -6.192 10.217 1.767 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.821 10.376 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.340 9.674 3.795 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.712 8.056 3.551 1.00 0.00 H new ATOM 298 N LEU A 24 -4.090 7.667 1.367 1.00 0.00 N ATOM 299 CA LEU A 24 -3.339 6.549 0.807 1.00 0.00 C ATOM 300 C LEU A 24 -2.150 7.046 -0.009 1.00 0.00 C ATOM 301 O LEU A 24 -1.080 6.437 -0.001 1.00 0.00 O ATOM 302 CB LEU A 24 -4.249 5.686 -0.070 1.00 0.00 C ATOM 303 CG LEU A 24 -5.494 5.116 0.612 1.00 0.00 C ATOM 304 CD1 LEU A 24 -6.608 4.909 -0.401 1.00 0.00 C ATOM 305 CD2 LEU A 24 -5.163 3.810 1.319 1.00 0.00 C ATOM 0 H LEU A 24 -5.042 7.755 1.012 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.962 5.946 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.568 6.282 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.662 4.856 -0.462 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.838 5.832 1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.486 4.503 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.863 5.863 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.275 4.212 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.060 3.418 1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.795 3.086 0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.397 3.989 2.073 1.00 0.00 H new ATOM 317 N LYS A 25 -2.344 8.157 -0.710 1.00 0.00 N ATOM 318 CA LYS A 25 -1.287 8.740 -1.529 1.00 0.00 C ATOM 319 C LYS A 25 -0.162 9.288 -0.657 1.00 0.00 C ATOM 320 O LYS A 25 0.937 8.735 -0.621 1.00 0.00 O ATOM 321 CB LYS A 25 -1.853 9.855 -2.411 1.00 0.00 C ATOM 322 CG LYS A 25 -0.958 10.216 -3.584 1.00 0.00 C ATOM 323 CD LYS A 25 -1.193 11.645 -4.045 1.00 0.00 C ATOM 324 CE LYS A 25 -2.371 11.735 -5.003 1.00 0.00 C ATOM 325 NZ LYS A 25 -3.667 11.846 -4.278 1.00 0.00 N ATOM 0 H LYS A 25 -3.224 8.673 -0.728 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.879 7.954 -2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.828 9.548 -2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.014 10.744 -1.800 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.086 10.092 -3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.145 9.531 -4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.377 12.282 -3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.295 12.023 -4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.244 12.599 -5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.387 10.853 -5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.372 12.300 -4.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.999 10.897 -4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.537 12.419 -3.420 1.00 0.00 H new ATOM 339 N LYS A 26 -0.445 10.379 0.048 1.00 0.00 N ATOM 340 CA LYS A 26 0.541 11.002 0.923 1.00 0.00 C ATOM 341 C LYS A 26 1.403 9.947 1.609 1.00 0.00 C ATOM 342 O LYS A 26 2.628 9.962 1.495 1.00 0.00 O ATOM 343 CB LYS A 26 -0.155 11.869 1.974 1.00 0.00 C ATOM 344 CG LYS A 26 -0.992 12.989 1.380 1.00 0.00 C ATOM 345 CD LYS A 26 -1.344 14.036 2.424 1.00 0.00 C ATOM 346 CE LYS A 26 -2.372 15.026 1.897 1.00 0.00 C ATOM 347 NZ LYS A 26 -1.740 16.096 1.076 1.00 0.00 N ATOM 0 H LYS A 26 -1.350 10.850 0.030 1.00 0.00 H new ATOM 0 HA LYS A 26 1.187 11.632 0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.794 11.236 2.590 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.598 12.300 2.634 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.445 13.459 0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.907 12.575 0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.734 13.545 3.316 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.442 14.571 2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.112 14.497 1.297 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.905 15.477 2.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.473 16.751 0.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.052 16.618 1.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.253 15.668 0.263 1.00 0.00 H new ATOM 361 N ALA A 27 0.754 9.031 2.321 1.00 0.00 N ATOM 362 CA ALA A 27 1.461 7.966 3.022 1.00 0.00 C ATOM 363 C ALA A 27 2.257 7.103 2.050 1.00 0.00 C ATOM 364 O ALA A 27 3.430 6.810 2.282 1.00 0.00 O ATOM 365 CB ALA A 27 0.480 7.111 3.810 1.00 0.00 C ATOM 0 H ALA A 27 -0.260 9.005 2.427 1.00 0.00 H new ATOM 0 HA ALA A 27 2.164 8.426 3.717 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.022 6.320 4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.040 7.732 4.539 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.245 6.667 3.128 1.00 0.00 H new ATOM 371 N TYR A 28 1.612 6.697 0.962 1.00 0.00 N ATOM 372 CA TYR A 28 2.260 5.864 -0.044 1.00 0.00 C ATOM 373 C TYR A 28 3.570 6.491 -0.510 1.00 0.00 C ATOM 374 O TYR A 28 4.602 5.822 -0.580 1.00 0.00 O ATOM 375 CB TYR A 28 1.329 5.655 -1.240 1.00 0.00 C ATOM 376 CG TYR A 28 2.001 4.994 -2.422 1.00 0.00 C ATOM 377 CD1 TYR A 28 2.744 3.831 -2.263 1.00 0.00 C ATOM 378 CD2 TYR A 28 1.891 5.532 -3.699 1.00 0.00 C ATOM 379 CE1 TYR A 28 3.360 3.224 -3.341 1.00 0.00 C ATOM 380 CE2 TYR A 28 2.502 4.931 -4.782 1.00 0.00 C ATOM 381 CZ TYR A 28 3.236 3.778 -4.598 1.00 0.00 C ATOM 382 OH TYR A 28 3.847 3.175 -5.674 1.00 0.00 O ATOM 0 H TYR A 28 0.641 6.931 0.754 1.00 0.00 H new ATOM 0 HA TYR A 28 2.482 4.898 0.410 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.481 5.046 -0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.930 6.620 -1.552 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.842 3.394 -1.280 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.318 6.435 -3.847 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.935 2.321 -3.200 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.406 5.362 -5.768 1.00 0.00 H new ATOM 0 HH TYR A 28 3.661 3.690 -6.487 1.00 0.00 H new ATOM 392 N ARG A 29 3.522 7.781 -0.827 1.00 0.00 N ATOM 393 CA ARG A 29 4.704 8.500 -1.286 1.00 0.00 C ATOM 394 C ARG A 29 5.788 8.507 -0.212 1.00 0.00 C ATOM 395 O ARG A 29 6.832 7.874 -0.366 1.00 0.00 O ATOM 396 CB ARG A 29 4.338 9.936 -1.666 1.00 0.00 C ATOM 397 CG ARG A 29 3.167 10.032 -2.629 1.00 0.00 C ATOM 398 CD ARG A 29 2.969 11.455 -3.127 1.00 0.00 C ATOM 399 NE ARG A 29 2.339 12.305 -2.120 1.00 0.00 N ATOM 400 CZ ARG A 29 1.702 13.435 -2.406 1.00 0.00 C ATOM 401 NH1 ARG A 29 1.610 13.848 -3.663 1.00 0.00 N ATOM 402 NH2 ARG A 29 1.154 14.153 -1.435 1.00 0.00 N ATOM 0 H ARG A 29 2.677 8.350 -0.774 1.00 0.00 H new ATOM 0 HA ARG A 29 5.092 7.986 -2.166 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.099 10.493 -0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.207 10.417 -2.115 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.337 9.369 -3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.259 9.689 -2.134 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.934 11.879 -3.407 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.354 11.442 -4.027 1.00 0.00 H new ATOM 0 HE ARG A 29 2.391 12.015 -1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.029 13.298 -4.413 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.120 14.716 -3.880 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.221 13.838 -0.467 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.665 15.021 -1.656 1.00 0.00 H new ATOM 416 N ARG A 30 5.532 9.227 0.875 1.00 0.00 N ATOM 417 CA ARG A 30 6.486 9.318 1.974 1.00 0.00 C ATOM 418 C ARG A 30 7.232 8.000 2.156 1.00 0.00 C ATOM 419 O ARG A 30 8.409 7.985 2.518 1.00 0.00 O ATOM 420 CB ARG A 30 5.768 9.693 3.271 1.00 0.00 C ATOM 421 CG ARG A 30 6.646 9.583 4.507 1.00 0.00 C ATOM 422 CD ARG A 30 6.120 10.447 5.643 1.00 0.00 C ATOM 423 NE ARG A 30 7.190 10.898 6.528 1.00 0.00 N ATOM 424 CZ ARG A 30 7.085 11.952 7.330 1.00 0.00 C ATOM 425 NH1 ARG A 30 5.964 12.659 7.358 1.00 0.00 N ATOM 426 NH2 ARG A 30 8.104 12.301 8.106 1.00 0.00 N ATOM 0 H ARG A 30 4.672 9.756 1.018 1.00 0.00 H new ATOM 0 HA ARG A 30 7.210 10.095 1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.397 10.715 3.189 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.898 9.047 3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.692 8.543 4.831 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.664 9.885 4.260 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.602 11.313 5.230 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.387 9.882 6.219 1.00 0.00 H new ATOM 0 HE ARG A 30 8.066 10.375 6.531 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.179 12.394 6.763 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.886 13.468 7.975 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.968 11.760 8.087 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.023 13.110 8.721 1.00 0.00 H new ATOM 440 N LEU A 31 6.540 6.894 1.903 1.00 0.00 N ATOM 441 CA LEU A 31 7.137 5.570 2.039 1.00 0.00 C ATOM 442 C LEU A 31 7.955 5.212 0.802 1.00 0.00 C ATOM 443 O LEU A 31 9.150 4.933 0.896 1.00 0.00 O ATOM 444 CB LEU A 31 6.048 4.519 2.266 1.00 0.00 C ATOM 445 CG LEU A 31 5.223 4.674 3.544 1.00 0.00 C ATOM 446 CD1 LEU A 31 4.034 3.725 3.530 1.00 0.00 C ATOM 447 CD2 LEU A 31 6.089 4.429 4.771 1.00 0.00 C ATOM 0 H LEU A 31 5.565 6.888 1.603 1.00 0.00 H new ATOM 0 HA LEU A 31 7.804 5.586 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.369 4.539 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.517 3.535 2.277 1.00 0.00 H new ATOM 0 HG LEU A 31 4.846 5.696 3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.458 3.849 4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.401 3.948 2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.390 2.697 3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.485 4.544 5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.496 3.419 4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.907 5.149 4.789 1.00 0.00 H new ATOM 459 N ALA A 32 7.303 5.223 -0.356 1.00 0.00 N ATOM 460 CA ALA A 32 7.971 4.903 -1.611 1.00 0.00 C ATOM 461 C ALA A 32 9.358 5.534 -1.671 1.00 0.00 C ATOM 462 O ALA A 32 10.320 4.903 -2.111 1.00 0.00 O ATOM 463 CB ALA A 32 7.128 5.365 -2.790 1.00 0.00 C ATOM 0 H ALA A 32 6.313 5.450 -0.451 1.00 0.00 H new ATOM 0 HA ALA A 32 8.090 3.821 -1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.639 5.120 -3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.160 4.864 -2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.980 6.443 -2.731 1.00 0.00 H new ATOM 469 N LEU A 33 9.455 6.783 -1.227 1.00 0.00 N ATOM 470 CA LEU A 33 10.725 7.500 -1.231 1.00 0.00 C ATOM 471 C LEU A 33 11.662 6.953 -0.159 1.00 0.00 C ATOM 472 O LEU A 33 12.884 6.981 -0.313 1.00 0.00 O ATOM 473 CB LEU A 33 10.490 8.994 -1.005 1.00 0.00 C ATOM 474 CG LEU A 33 9.879 9.762 -2.178 1.00 0.00 C ATOM 475 CD1 LEU A 33 8.362 9.775 -2.075 1.00 0.00 C ATOM 476 CD2 LEU A 33 10.424 11.182 -2.228 1.00 0.00 C ATOM 0 H LEU A 33 8.669 7.320 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 33 11.193 7.355 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.837 9.112 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.443 9.457 -0.751 1.00 0.00 H new ATOM 0 HG LEU A 33 10.156 9.255 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.945 10.326 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.988 8.751 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.065 10.257 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.978 11.713 -3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.178 11.699 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.507 11.152 -2.351 1.00 0.00 H new ATOM 488 N LYS A 34 11.083 6.455 0.928 1.00 0.00 N ATOM 489 CA LYS A 34 11.864 5.898 2.026 1.00 0.00 C ATOM 490 C LYS A 34 12.509 4.577 1.619 1.00 0.00 C ATOM 491 O LYS A 34 13.528 4.173 2.180 1.00 0.00 O ATOM 492 CB LYS A 34 10.978 5.687 3.255 1.00 0.00 C ATOM 493 CG LYS A 34 11.750 5.289 4.501 1.00 0.00 C ATOM 494 CD LYS A 34 10.833 4.702 5.561 1.00 0.00 C ATOM 495 CE LYS A 34 11.562 3.686 6.427 1.00 0.00 C ATOM 496 NZ LYS A 34 12.034 2.518 5.632 1.00 0.00 N ATOM 0 H LYS A 34 10.074 6.426 1.072 1.00 0.00 H new ATOM 0 HA LYS A 34 12.654 6.608 2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.427 6.606 3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.241 4.915 3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.517 4.560 4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.264 6.161 4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.441 5.502 6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.978 4.226 5.081 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.414 4.165 6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.898 3.341 7.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.180 1.705 6.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.321 2.276 4.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.931 2.757 5.162 1.00 0.00 H new ATOM 510 N PHE A 35 11.911 3.908 0.639 1.00 0.00 N ATOM 511 CA PHE A 35 12.427 2.633 0.156 1.00 0.00 C ATOM 512 C PHE A 35 13.074 2.792 -1.217 1.00 0.00 C ATOM 513 O PHE A 35 13.933 2.001 -1.607 1.00 0.00 O ATOM 514 CB PHE A 35 11.303 1.597 0.086 1.00 0.00 C ATOM 515 CG PHE A 35 10.718 1.256 1.427 1.00 0.00 C ATOM 516 CD1 PHE A 35 11.397 0.425 2.303 1.00 0.00 C ATOM 517 CD2 PHE A 35 9.488 1.766 1.811 1.00 0.00 C ATOM 518 CE1 PHE A 35 10.862 0.109 3.538 1.00 0.00 C ATOM 519 CE2 PHE A 35 8.948 1.455 3.044 1.00 0.00 C ATOM 520 CZ PHE A 35 9.635 0.624 3.908 1.00 0.00 C ATOM 0 H PHE A 35 11.067 4.228 0.163 1.00 0.00 H new ATOM 0 HA PHE A 35 13.186 2.288 0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.512 1.974 -0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.686 0.687 -0.376 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.356 0.019 2.018 1.00 0.00 H new ATOM 0 HD2 PHE A 35 8.945 2.414 1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.402 -0.539 4.212 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.990 1.861 3.332 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.213 0.378 4.871 1.00 0.00 H new ATOM 530 N HIS A 36 12.654 3.821 -1.946 1.00 0.00 N ATOM 531 CA HIS A 36 13.191 4.085 -3.276 1.00 0.00 C ATOM 532 C HIS A 36 14.697 3.840 -3.312 1.00 0.00 C ATOM 533 O HIS A 36 15.426 4.166 -2.375 1.00 0.00 O ATOM 534 CB HIS A 36 12.887 5.524 -3.696 1.00 0.00 C ATOM 535 CG HIS A 36 12.750 5.699 -5.177 1.00 0.00 C ATOM 536 ND1 HIS A 36 13.786 6.119 -5.984 1.00 0.00 N ATOM 537 CD2 HIS A 36 11.690 5.508 -5.997 1.00 0.00 C ATOM 538 CE1 HIS A 36 13.369 6.180 -7.236 1.00 0.00 C ATOM 539 NE2 HIS A 36 12.100 5.813 -7.271 1.00 0.00 N ATOM 0 H HIS A 36 11.944 4.485 -1.638 1.00 0.00 H new ATOM 0 HA HIS A 36 12.712 3.401 -3.977 1.00 0.00 H new ATOM 0 HB2 HIS A 36 11.965 5.848 -3.213 1.00 0.00 H new ATOM 0 HB3 HIS A 36 13.682 6.175 -3.333 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.705 5.177 -5.703 1.00 0.00 H new ATOM 0 HE1 HIS A 36 13.964 6.479 -8.086 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.520 5.764 -8.108 1.00 0.00 H new ATOM 547 N PRO A 37 15.174 3.251 -4.419 1.00 0.00 N ATOM 548 CA PRO A 37 16.597 2.949 -4.604 1.00 0.00 C ATOM 549 C PRO A 37 17.437 4.207 -4.792 1.00 0.00 C ATOM 550 O PRO A 37 18.646 4.198 -4.561 1.00 0.00 O ATOM 551 CB PRO A 37 16.616 2.097 -5.875 1.00 0.00 C ATOM 552 CG PRO A 37 15.390 2.501 -6.620 1.00 0.00 C ATOM 553 CD PRO A 37 14.362 2.836 -5.575 1.00 0.00 C ATOM 0 HA PRO A 37 17.025 2.450 -3.734 1.00 0.00 H new ATOM 0 HB2 PRO A 37 17.515 2.282 -6.462 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.603 1.033 -5.639 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.588 3.360 -7.262 1.00 0.00 H new ATOM 0 HG3 PRO A 37 15.042 1.694 -7.265 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.697 3.634 -5.906 1.00 0.00 H new ATOM 0 HD3 PRO A 37 13.735 1.976 -5.338 1.00 0.00 H new ATOM 561 N ASP A 38 16.789 5.288 -5.212 1.00 0.00 N ATOM 562 CA ASP A 38 17.477 6.555 -5.430 1.00 0.00 C ATOM 563 C ASP A 38 17.601 7.338 -4.126 1.00 0.00 C ATOM 564 O ASP A 38 18.582 8.048 -3.906 1.00 0.00 O ATOM 565 CB ASP A 38 16.733 7.391 -6.473 1.00 0.00 C ATOM 566 CG ASP A 38 17.274 8.804 -6.575 1.00 0.00 C ATOM 567 OD1 ASP A 38 18.470 8.959 -6.902 1.00 0.00 O ATOM 568 OD2 ASP A 38 16.502 9.754 -6.330 1.00 0.00 O ATOM 0 H ASP A 38 15.788 5.312 -5.408 1.00 0.00 H new ATOM 0 HA ASP A 38 18.479 6.337 -5.798 1.00 0.00 H new ATOM 0 HB2 ASP A 38 16.809 6.905 -7.446 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.674 7.428 -6.217 1.00 0.00 H new ATOM 573 N LYS A 39 16.598 7.204 -3.265 1.00 0.00 N ATOM 574 CA LYS A 39 16.593 7.897 -1.982 1.00 0.00 C ATOM 575 C LYS A 39 17.274 7.057 -0.907 1.00 0.00 C ATOM 576 O LYS A 39 18.184 7.525 -0.224 1.00 0.00 O ATOM 577 CB LYS A 39 15.158 8.220 -1.559 1.00 0.00 C ATOM 578 CG LYS A 39 14.542 9.374 -2.332 1.00 0.00 C ATOM 579 CD LYS A 39 13.900 8.899 -3.625 1.00 0.00 C ATOM 580 CE LYS A 39 13.177 10.032 -4.337 1.00 0.00 C ATOM 581 NZ LYS A 39 13.003 9.752 -5.789 1.00 0.00 N ATOM 0 H LYS A 39 15.778 6.621 -3.433 1.00 0.00 H new ATOM 0 HA LYS A 39 17.149 8.827 -2.098 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.540 7.332 -1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.146 8.459 -0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.793 9.869 -1.713 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.310 10.114 -2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.665 8.485 -4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.196 8.095 -3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.201 10.186 -3.877 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.738 10.958 -4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.506 10.547 -6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.935 9.630 -6.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.446 8.882 -5.911 1.00 0.00 H new ATOM 595 N ASN A 40 16.828 5.813 -0.763 1.00 0.00 N ATOM 596 CA ASN A 40 17.396 4.908 0.229 1.00 0.00 C ATOM 597 C ASN A 40 18.545 4.100 -0.366 1.00 0.00 C ATOM 598 O ASN A 40 18.352 3.320 -1.299 1.00 0.00 O ATOM 599 CB ASN A 40 16.318 3.963 0.764 1.00 0.00 C ATOM 600 CG ASN A 40 16.609 3.494 2.177 1.00 0.00 C ATOM 601 OD1 ASN A 40 17.613 3.880 2.776 1.00 0.00 O ATOM 602 ND2 ASN A 40 15.730 2.657 2.715 1.00 0.00 N ATOM 0 H ASN A 40 16.075 5.409 -1.321 1.00 0.00 H new ATOM 0 HA ASN A 40 17.785 5.509 1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 40 15.353 4.469 0.744 1.00 0.00 H new ATOM 0 HB3 ASN A 40 16.238 3.098 0.106 1.00 0.00 H new ATOM 0 HD21 ASN A 40 15.873 2.307 3.662 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.912 2.364 2.181 1.00 0.00 H new ATOM 609 N HIS A 41 19.742 4.293 0.180 1.00 0.00 N ATOM 610 CA HIS A 41 20.923 3.582 -0.296 1.00 0.00 C ATOM 611 C HIS A 41 21.154 2.309 0.514 1.00 0.00 C ATOM 612 O HIS A 41 22.281 1.829 0.626 1.00 0.00 O ATOM 613 CB HIS A 41 22.155 4.483 -0.213 1.00 0.00 C ATOM 614 CG HIS A 41 22.823 4.462 1.127 1.00 0.00 C ATOM 615 ND1 HIS A 41 22.330 4.193 2.359 1.00 0.00 N flip ATOM 616 CD2 HIS A 41 24.161 4.744 1.306 1.00 0.00 C flip ATOM 617 CE1 HIS A 41 23.368 4.314 3.249 1.00 0.00 C flip ATOM 618 NE2 HIS A 41 24.462 4.646 2.588 1.00 0.00 N flip ATOM 0 H HIS A 41 19.919 4.936 0.952 1.00 0.00 H new ATOM 0 HA HIS A 41 20.755 3.305 -1.337 1.00 0.00 H new ATOM 0 HB2 HIS A 41 22.873 4.174 -0.973 1.00 0.00 H new ATOM 0 HB3 HIS A 41 21.863 5.506 -0.448 1.00 0.00 H new ATOM 0 HD2 HIS A 41 24.855 5.004 0.520 1.00 0.00 H new ATOM 0 HE1 HIS A 41 23.301 4.162 4.316 1.00 0.00 H new ATOM 0 HE2 HIS A 41 25.383 4.800 2.998 1.00 0.00 H new ATOM 626 N ALA A 42 20.078 1.768 1.076 1.00 0.00 N ATOM 627 CA ALA A 42 20.163 0.551 1.873 1.00 0.00 C ATOM 628 C ALA A 42 19.467 -0.613 1.176 1.00 0.00 C ATOM 629 O ALA A 42 18.440 -0.448 0.517 1.00 0.00 O ATOM 630 CB ALA A 42 19.560 0.780 3.251 1.00 0.00 C ATOM 0 H ALA A 42 19.137 2.154 0.994 1.00 0.00 H new ATOM 0 HA ALA A 42 21.216 0.294 1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 42 19.630 -0.137 3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 42 20.104 1.576 3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 42 18.513 1.065 3.147 1.00 0.00 H new ATOM 636 N PRO A 43 20.037 -1.818 1.321 1.00 0.00 N ATOM 637 CA PRO A 43 19.488 -3.033 0.712 1.00 0.00 C ATOM 638 C PRO A 43 18.178 -3.465 1.361 1.00 0.00 C ATOM 639 O PRO A 43 17.837 -3.015 2.455 1.00 0.00 O ATOM 640 CB PRO A 43 20.578 -4.078 0.959 1.00 0.00 C ATOM 641 CG PRO A 43 21.306 -3.589 2.163 1.00 0.00 C ATOM 642 CD PRO A 43 21.262 -2.088 2.092 1.00 0.00 C ATOM 0 HA PRO A 43 19.249 -2.889 -0.342 1.00 0.00 H new ATOM 0 HB2 PRO A 43 20.149 -5.065 1.130 1.00 0.00 H new ATOM 0 HB3 PRO A 43 21.245 -4.165 0.101 1.00 0.00 H new ATOM 0 HG2 PRO A 43 20.835 -3.950 3.077 1.00 0.00 H new ATOM 0 HG3 PRO A 43 22.335 -3.949 2.170 1.00 0.00 H new ATOM 0 HD2 PRO A 43 21.219 -1.640 3.085 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.145 -1.683 1.598 1.00 0.00 H new ATOM 650 N GLY A 44 17.446 -4.343 0.681 1.00 0.00 N ATOM 651 CA GLY A 44 16.182 -4.822 1.208 1.00 0.00 C ATOM 652 C GLY A 44 15.086 -3.778 1.125 1.00 0.00 C ATOM 653 O GLY A 44 14.094 -3.964 0.421 1.00 0.00 O ATOM 0 H GLY A 44 17.706 -4.731 -0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.875 -5.711 0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.316 -5.122 2.247 1.00 0.00 H new ATOM 657 N ALA A 45 15.264 -2.676 1.846 1.00 0.00 N ATOM 658 CA ALA A 45 14.283 -1.599 1.851 1.00 0.00 C ATOM 659 C ALA A 45 13.687 -1.393 0.462 1.00 0.00 C ATOM 660 O ALA A 45 12.467 -1.350 0.298 1.00 0.00 O ATOM 661 CB ALA A 45 14.917 -0.309 2.352 1.00 0.00 C ATOM 0 H ALA A 45 16.080 -2.506 2.435 1.00 0.00 H new ATOM 0 HA ALA A 45 13.475 -1.880 2.527 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.172 0.487 2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.289 -0.456 3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 45 15.745 -0.033 1.699 1.00 0.00 H new ATOM 667 N THR A 46 14.555 -1.265 -0.536 1.00 0.00 N ATOM 668 CA THR A 46 14.115 -1.062 -1.911 1.00 0.00 C ATOM 669 C THR A 46 13.217 -2.203 -2.375 1.00 0.00 C ATOM 670 O THR A 46 12.091 -1.978 -2.817 1.00 0.00 O ATOM 671 CB THR A 46 15.312 -0.943 -2.872 1.00 0.00 C ATOM 672 OG1 THR A 46 16.216 0.066 -2.407 1.00 0.00 O ATOM 673 CG2 THR A 46 14.845 -0.602 -4.279 1.00 0.00 C ATOM 0 H THR A 46 15.568 -1.298 -0.418 1.00 0.00 H new ATOM 0 HA THR A 46 13.551 -0.129 -1.928 1.00 0.00 H new ATOM 0 HB THR A 46 15.824 -1.905 -2.899 1.00 0.00 H new ATOM 0 HG1 THR A 46 15.706 0.830 -2.066 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.708 -0.523 -4.940 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.181 -1.386 -4.642 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.311 0.348 -4.265 1.00 0.00 H new ATOM 681 N GLU A 47 13.722 -3.428 -2.270 1.00 0.00 N ATOM 682 CA GLU A 47 12.964 -4.605 -2.679 1.00 0.00 C ATOM 683 C GLU A 47 11.533 -4.540 -2.152 1.00 0.00 C ATOM 684 O GLU A 47 10.636 -5.196 -2.680 1.00 0.00 O ATOM 685 CB GLU A 47 13.647 -5.879 -2.179 1.00 0.00 C ATOM 686 CG GLU A 47 14.916 -6.228 -2.937 1.00 0.00 C ATOM 687 CD GLU A 47 14.654 -7.121 -4.135 1.00 0.00 C ATOM 688 OE1 GLU A 47 13.973 -8.154 -3.967 1.00 0.00 O ATOM 689 OE2 GLU A 47 15.129 -6.785 -5.240 1.00 0.00 O ATOM 0 H GLU A 47 14.653 -3.631 -1.905 1.00 0.00 H new ATOM 0 HA GLU A 47 12.931 -4.624 -3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.886 -5.762 -1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.947 -6.711 -2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.399 -5.310 -3.272 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.612 -6.726 -2.262 1.00 0.00 H new ATOM 696 N ALA A 48 11.329 -3.745 -1.107 1.00 0.00 N ATOM 697 CA ALA A 48 10.009 -3.593 -0.509 1.00 0.00 C ATOM 698 C ALA A 48 9.156 -2.609 -1.303 1.00 0.00 C ATOM 699 O ALA A 48 7.949 -2.798 -1.451 1.00 0.00 O ATOM 700 CB ALA A 48 10.134 -3.139 0.938 1.00 0.00 C ATOM 0 H ALA A 48 12.062 -3.196 -0.657 1.00 0.00 H new ATOM 0 HA ALA A 48 9.513 -4.563 -0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.140 -3.030 1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.698 -3.880 1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.654 -2.182 0.975 1.00 0.00 H new ATOM 706 N PHE A 49 9.792 -1.559 -1.811 1.00 0.00 N ATOM 707 CA PHE A 49 9.091 -0.543 -2.588 1.00 0.00 C ATOM 708 C PHE A 49 8.149 -1.188 -3.601 1.00 0.00 C ATOM 709 O PHE A 49 7.078 -0.657 -3.896 1.00 0.00 O ATOM 710 CB PHE A 49 10.094 0.359 -3.310 1.00 0.00 C ATOM 711 CG PHE A 49 9.451 1.343 -4.245 1.00 0.00 C ATOM 712 CD1 PHE A 49 8.150 1.771 -4.033 1.00 0.00 C ATOM 713 CD2 PHE A 49 10.146 1.839 -5.336 1.00 0.00 C ATOM 714 CE1 PHE A 49 7.555 2.677 -4.891 1.00 0.00 C ATOM 715 CE2 PHE A 49 9.556 2.745 -6.197 1.00 0.00 C ATOM 716 CZ PHE A 49 8.259 3.164 -5.975 1.00 0.00 C ATOM 0 H PHE A 49 10.791 -1.389 -1.699 1.00 0.00 H new ATOM 0 HA PHE A 49 8.499 0.061 -1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.680 0.903 -2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.790 -0.263 -3.873 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.595 1.392 -3.188 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.160 1.514 -5.516 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.541 3.004 -4.714 1.00 0.00 H new ATOM 0 HE2 PHE A 49 10.109 3.125 -7.043 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.796 3.871 -6.648 1.00 0.00 H new ATOM 726 N LYS A 50 8.557 -2.337 -4.131 1.00 0.00 N ATOM 727 CA LYS A 50 7.751 -3.056 -5.110 1.00 0.00 C ATOM 728 C LYS A 50 6.461 -3.572 -4.480 1.00 0.00 C ATOM 729 O LYS A 50 5.414 -3.605 -5.125 1.00 0.00 O ATOM 730 CB LYS A 50 8.547 -4.224 -5.697 1.00 0.00 C ATOM 731 CG LYS A 50 9.386 -3.841 -6.904 1.00 0.00 C ATOM 732 CD LYS A 50 10.156 -5.033 -7.448 1.00 0.00 C ATOM 733 CE LYS A 50 9.255 -5.957 -8.254 1.00 0.00 C ATOM 734 NZ LYS A 50 9.979 -7.175 -8.713 1.00 0.00 N ATOM 0 H LYS A 50 9.441 -2.790 -3.899 1.00 0.00 H new ATOM 0 HA LYS A 50 7.492 -2.362 -5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.200 -4.632 -4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.856 -5.017 -5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.740 -3.437 -7.684 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.084 -3.051 -6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.975 -4.683 -8.076 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.602 -5.587 -6.622 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.399 -6.251 -7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.863 -5.420 -9.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.331 -7.779 -9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.781 -6.896 -9.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.331 -7.701 -7.888 1.00 0.00 H new ATOM 748 N ALA A 51 6.545 -3.974 -3.216 1.00 0.00 N ATOM 749 CA ALA A 51 5.384 -4.485 -2.498 1.00 0.00 C ATOM 750 C ALA A 51 4.396 -3.366 -2.186 1.00 0.00 C ATOM 751 O ALA A 51 3.183 -3.579 -2.191 1.00 0.00 O ATOM 752 CB ALA A 51 5.820 -5.179 -1.216 1.00 0.00 C ATOM 0 H ALA A 51 7.405 -3.956 -2.668 1.00 0.00 H new ATOM 0 HA ALA A 51 4.882 -5.210 -3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.943 -5.556 -0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.482 -6.010 -1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.348 -4.469 -0.579 1.00 0.00 H new ATOM 758 N ILE A 52 4.921 -2.177 -1.915 1.00 0.00 N ATOM 759 CA ILE A 52 4.084 -1.026 -1.602 1.00 0.00 C ATOM 760 C ILE A 52 3.111 -0.728 -2.737 1.00 0.00 C ATOM 761 O ILE A 52 1.897 -0.840 -2.573 1.00 0.00 O ATOM 762 CB ILE A 52 4.933 0.230 -1.326 1.00 0.00 C ATOM 763 CG1 ILE A 52 6.143 -0.126 -0.460 1.00 0.00 C ATOM 764 CG2 ILE A 52 4.090 1.302 -0.653 1.00 0.00 C ATOM 765 CD1 ILE A 52 6.854 1.081 0.110 1.00 0.00 C ATOM 0 H ILE A 52 5.923 -1.985 -1.906 1.00 0.00 H new ATOM 0 HA ILE A 52 3.523 -1.280 -0.703 1.00 0.00 H new ATOM 0 HB ILE A 52 5.293 0.623 -2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.817 -0.766 0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.848 -0.705 -1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.704 2.183 -0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.258 1.572 -1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.703 0.921 0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.701 0.753 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.211 1.711 -0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.164 1.649 0.733 1.00 0.00 H new ATOM 777 N GLY A 53 3.653 -0.350 -3.891 1.00 0.00 N ATOM 778 CA GLY A 53 2.819 -0.044 -5.038 1.00 0.00 C ATOM 779 C GLY A 53 1.588 -0.926 -5.112 1.00 0.00 C ATOM 780 O GLY A 53 0.480 -0.443 -5.345 1.00 0.00 O ATOM 0 H GLY A 53 4.655 -0.250 -4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.511 1.001 -4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.403 -0.164 -5.950 1.00 0.00 H new ATOM 784 N THR A 54 1.782 -2.227 -4.915 1.00 0.00 N ATOM 785 CA THR A 54 0.680 -3.180 -4.963 1.00 0.00 C ATOM 786 C THR A 54 -0.437 -2.777 -4.008 1.00 0.00 C ATOM 787 O THR A 54 -1.609 -2.751 -4.384 1.00 0.00 O ATOM 788 CB THR A 54 1.153 -4.603 -4.611 1.00 0.00 C ATOM 789 OG1 THR A 54 2.253 -4.975 -5.448 1.00 0.00 O ATOM 790 CG2 THR A 54 0.021 -5.605 -4.778 1.00 0.00 C ATOM 0 H THR A 54 2.692 -2.644 -4.721 1.00 0.00 H new ATOM 0 HA THR A 54 0.300 -3.174 -5.985 1.00 0.00 H new ATOM 0 HB THR A 54 1.472 -4.609 -3.569 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.549 -5.880 -5.217 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.378 -6.603 -4.524 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.804 -5.336 -4.118 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.324 -5.595 -5.812 1.00 0.00 H new ATOM 798 N ALA A 55 -0.068 -2.461 -2.771 1.00 0.00 N ATOM 799 CA ALA A 55 -1.039 -2.056 -1.763 1.00 0.00 C ATOM 800 C ALA A 55 -1.711 -0.741 -2.145 1.00 0.00 C ATOM 801 O ALA A 55 -2.936 -0.664 -2.243 1.00 0.00 O ATOM 802 CB ALA A 55 -0.369 -1.934 -0.403 1.00 0.00 C ATOM 0 H ALA A 55 0.898 -2.478 -2.443 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.810 -2.825 -1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.107 -1.631 0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.057 -2.896 -0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.423 -1.187 -0.453 1.00 0.00 H new ATOM 808 N TYR A 56 -0.902 0.290 -2.358 1.00 0.00 N ATOM 809 CA TYR A 56 -1.418 1.603 -2.726 1.00 0.00 C ATOM 810 C TYR A 56 -2.333 1.507 -3.943 1.00 0.00 C ATOM 811 O TYR A 56 -3.350 2.196 -4.025 1.00 0.00 O ATOM 812 CB TYR A 56 -0.265 2.565 -3.015 1.00 0.00 C ATOM 813 CG TYR A 56 -0.708 3.873 -3.631 1.00 0.00 C ATOM 814 CD1 TYR A 56 -1.412 4.812 -2.887 1.00 0.00 C ATOM 815 CD2 TYR A 56 -0.421 4.171 -4.957 1.00 0.00 C ATOM 816 CE1 TYR A 56 -1.819 6.008 -3.446 1.00 0.00 C ATOM 817 CE2 TYR A 56 -0.822 5.365 -5.524 1.00 0.00 C ATOM 818 CZ TYR A 56 -1.521 6.280 -4.765 1.00 0.00 C ATOM 819 OH TYR A 56 -1.924 7.471 -5.325 1.00 0.00 O ATOM 0 H TYR A 56 0.114 0.242 -2.282 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.999 1.985 -1.887 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.266 2.772 -2.086 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.444 2.079 -3.686 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.645 4.603 -1.853 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.125 3.457 -5.555 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.367 6.726 -2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.589 5.581 -6.556 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.634 7.507 -6.260 1.00 0.00 H new ATOM 829 N ALA A 57 -1.963 0.648 -4.887 1.00 0.00 N ATOM 830 CA ALA A 57 -2.750 0.459 -6.099 1.00 0.00 C ATOM 831 C ALA A 57 -4.141 -0.072 -5.773 1.00 0.00 C ATOM 832 O ALA A 57 -5.148 0.575 -6.063 1.00 0.00 O ATOM 833 CB ALA A 57 -2.032 -0.486 -7.052 1.00 0.00 C ATOM 0 H ALA A 57 -1.123 0.072 -4.836 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.864 1.429 -6.583 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.631 -0.618 -7.953 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.062 -0.066 -7.319 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.888 -1.452 -6.567 1.00 0.00 H new ATOM 839 N VAL A 58 -4.192 -1.255 -5.169 1.00 0.00 N ATOM 840 CA VAL A 58 -5.461 -1.873 -4.803 1.00 0.00 C ATOM 841 C VAL A 58 -6.400 -0.860 -4.158 1.00 0.00 C ATOM 842 O VAL A 58 -7.502 -0.616 -4.652 1.00 0.00 O ATOM 843 CB VAL A 58 -5.252 -3.052 -3.833 1.00 0.00 C ATOM 844 CG1 VAL A 58 -6.582 -3.510 -3.256 1.00 0.00 C ATOM 845 CG2 VAL A 58 -4.543 -4.200 -4.536 1.00 0.00 C ATOM 0 H VAL A 58 -3.369 -1.805 -4.923 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.909 -2.245 -5.724 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.622 -2.716 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.415 -4.343 -2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.047 -2.686 -2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.239 -3.830 -4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.403 -5.024 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.145 -4.538 -5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.572 -3.862 -4.896 1.00 0.00 H new ATOM 855 N LEU A 59 -5.957 -0.271 -3.053 1.00 0.00 N ATOM 856 CA LEU A 59 -6.758 0.718 -2.339 1.00 0.00 C ATOM 857 C LEU A 59 -7.027 1.936 -3.217 1.00 0.00 C ATOM 858 O LEU A 59 -8.179 2.290 -3.468 1.00 0.00 O ATOM 859 CB LEU A 59 -6.048 1.148 -1.055 1.00 0.00 C ATOM 860 CG LEU A 59 -5.661 0.023 -0.093 1.00 0.00 C ATOM 861 CD1 LEU A 59 -4.948 0.585 1.127 1.00 0.00 C ATOM 862 CD2 LEU A 59 -6.891 -0.769 0.323 1.00 0.00 C ATOM 0 H LEU A 59 -5.048 -0.461 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.713 0.259 -2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.144 1.692 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.693 1.848 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.977 -0.651 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.681 -0.230 1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.044 1.107 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.607 1.281 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.597 -1.565 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.599 -0.106 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.359 -1.204 -0.560 1.00 0.00 H new ATOM 874 N SER A 60 -5.957 2.572 -3.682 1.00 0.00 N ATOM 875 CA SER A 60 -6.077 3.752 -4.531 1.00 0.00 C ATOM 876 C SER A 60 -7.168 3.557 -5.580 1.00 0.00 C ATOM 877 O SER A 60 -7.797 4.518 -6.021 1.00 0.00 O ATOM 878 CB SER A 60 -4.742 4.052 -5.216 1.00 0.00 C ATOM 879 OG SER A 60 -4.883 5.083 -6.178 1.00 0.00 O ATOM 0 H SER A 60 -4.997 2.290 -3.485 1.00 0.00 H new ATOM 0 HA SER A 60 -6.351 4.597 -3.900 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.004 4.346 -4.469 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.366 3.150 -5.698 1.00 0.00 H new ATOM 0 HG SER A 60 -4.016 5.257 -6.600 1.00 0.00 H new ATOM 885 N ASN A 61 -7.384 2.307 -5.974 1.00 0.00 N ATOM 886 CA ASN A 61 -8.398 1.985 -6.972 1.00 0.00 C ATOM 887 C ASN A 61 -9.768 1.819 -6.321 1.00 0.00 C ATOM 888 O ASN A 61 -9.896 1.313 -5.206 1.00 0.00 O ATOM 889 CB ASN A 61 -8.018 0.706 -7.721 1.00 0.00 C ATOM 890 CG ASN A 61 -7.174 0.985 -8.950 1.00 0.00 C ATOM 891 OD1 ASN A 61 -6.964 2.139 -9.323 1.00 0.00 O ATOM 892 ND2 ASN A 61 -6.686 -0.074 -9.584 1.00 0.00 N ATOM 0 H ASN A 61 -6.871 1.500 -5.618 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.450 2.811 -7.681 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.470 0.044 -7.050 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.925 0.179 -8.018 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.111 0.051 -10.417 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.886 -1.012 -9.238 1.00 0.00 H new ATOM 899 N PRO A 62 -10.818 2.254 -7.033 1.00 0.00 N ATOM 900 CA PRO A 62 -12.198 2.163 -6.546 1.00 0.00 C ATOM 901 C PRO A 62 -12.702 0.724 -6.498 1.00 0.00 C ATOM 902 O PRO A 62 -13.223 0.274 -5.478 1.00 0.00 O ATOM 903 CB PRO A 62 -12.991 2.973 -7.574 1.00 0.00 C ATOM 904 CG PRO A 62 -12.174 2.910 -8.818 1.00 0.00 C ATOM 905 CD PRO A 62 -10.740 2.867 -8.370 1.00 0.00 C ATOM 0 HA PRO A 62 -12.295 2.532 -5.525 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -13.984 2.551 -7.730 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.131 4.002 -7.244 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.426 2.027 -9.406 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.359 3.778 -9.451 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.125 2.275 -9.048 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.302 3.864 -8.330 1.00 0.00 H new ATOM 913 N GLU A 63 -12.542 0.008 -7.606 1.00 0.00 N ATOM 914 CA GLU A 63 -12.982 -1.379 -7.688 1.00 0.00 C ATOM 915 C GLU A 63 -12.119 -2.277 -6.806 1.00 0.00 C ATOM 916 O GLU A 63 -12.617 -2.927 -5.886 1.00 0.00 O ATOM 917 CB GLU A 63 -12.932 -1.869 -9.137 1.00 0.00 C ATOM 918 CG GLU A 63 -13.940 -1.186 -10.046 1.00 0.00 C ATOM 919 CD GLU A 63 -13.965 -1.780 -11.441 1.00 0.00 C ATOM 920 OE1 GLU A 63 -13.045 -1.479 -12.230 1.00 0.00 O ATOM 921 OE2 GLU A 63 -14.903 -2.546 -11.743 1.00 0.00 O ATOM 0 H GLU A 63 -12.111 0.365 -8.459 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.011 -1.428 -7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.930 -1.705 -9.533 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.110 -2.944 -9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.933 -1.264 -9.604 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.703 -0.124 -10.112 1.00 0.00 H new ATOM 928 N LYS A 64 -10.823 -2.309 -7.095 1.00 0.00 N ATOM 929 CA LYS A 64 -9.888 -3.125 -6.329 1.00 0.00 C ATOM 930 C LYS A 64 -10.084 -2.916 -4.831 1.00 0.00 C ATOM 931 O LYS A 64 -9.892 -3.836 -4.036 1.00 0.00 O ATOM 932 CB LYS A 64 -8.447 -2.787 -6.718 1.00 0.00 C ATOM 933 CG LYS A 64 -8.020 -3.385 -8.047 1.00 0.00 C ATOM 934 CD LYS A 64 -6.515 -3.589 -8.109 1.00 0.00 C ATOM 935 CE LYS A 64 -6.108 -4.355 -9.358 1.00 0.00 C ATOM 936 NZ LYS A 64 -6.322 -5.821 -9.205 1.00 0.00 N ATOM 0 H LYS A 64 -10.396 -1.779 -7.855 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.084 -4.172 -6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.337 -1.704 -6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.776 -3.143 -5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.524 -4.340 -8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.333 -2.729 -8.859 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.015 -2.621 -8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.183 -4.132 -7.224 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.682 -3.991 -10.210 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.058 -4.162 -9.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.032 -6.307 -10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.755 -6.173 -8.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.329 -6.008 -9.022 1.00 0.00 H new ATOM 950 N ARG A 65 -10.468 -1.701 -4.453 1.00 0.00 N ATOM 951 CA ARG A 65 -10.690 -1.372 -3.050 1.00 0.00 C ATOM 952 C ARG A 65 -11.999 -1.977 -2.550 1.00 0.00 C ATOM 953 O ARG A 65 -12.075 -2.485 -1.431 1.00 0.00 O ATOM 954 CB ARG A 65 -10.710 0.145 -2.857 1.00 0.00 C ATOM 955 CG ARG A 65 -11.017 0.574 -1.431 1.00 0.00 C ATOM 956 CD ARG A 65 -11.149 2.084 -1.320 1.00 0.00 C ATOM 957 NE ARG A 65 -11.106 2.537 0.068 1.00 0.00 N ATOM 958 CZ ARG A 65 -10.917 3.803 0.423 1.00 0.00 C ATOM 959 NH1 ARG A 65 -10.755 4.737 -0.504 1.00 0.00 N ATOM 960 NH2 ARG A 65 -10.891 4.137 1.707 1.00 0.00 N ATOM 0 H ARG A 65 -10.632 -0.928 -5.099 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.870 -1.794 -2.470 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.742 0.553 -3.150 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.454 0.578 -3.526 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.941 0.101 -1.099 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.225 0.227 -0.767 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.345 2.560 -1.882 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.087 2.400 -1.776 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.228 1.843 0.805 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.775 4.484 -1.492 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.610 5.709 -0.229 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.016 3.421 2.423 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.746 5.110 1.978 1.00 0.00 H new ATOM 974 N LYS A 66 -13.030 -1.917 -3.387 1.00 0.00 N ATOM 975 CA LYS A 66 -14.336 -2.459 -3.033 1.00 0.00 C ATOM 976 C LYS A 66 -14.209 -3.881 -2.496 1.00 0.00 C ATOM 977 O LYS A 66 -14.547 -4.151 -1.344 1.00 0.00 O ATOM 978 CB LYS A 66 -15.265 -2.443 -4.249 1.00 0.00 C ATOM 979 CG LYS A 66 -15.834 -1.070 -4.562 1.00 0.00 C ATOM 980 CD LYS A 66 -17.012 -0.736 -3.663 1.00 0.00 C ATOM 981 CE LYS A 66 -18.277 -1.449 -4.114 1.00 0.00 C ATOM 982 NZ LYS A 66 -19.372 -1.324 -3.112 1.00 0.00 N ATOM 0 H LYS A 66 -12.986 -1.498 -4.316 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.761 -1.831 -2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.718 -2.807 -5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.087 -3.137 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.056 -0.316 -4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.150 -1.035 -5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -16.780 -1.020 -2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.179 0.341 -3.666 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.607 -1.035 -5.066 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.059 -2.503 -4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.217 -1.823 -3.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.067 -1.742 -2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.598 -0.319 -2.969 1.00 0.00 H new ATOM 996 N GLN A 67 -13.717 -4.784 -3.338 1.00 0.00 N ATOM 997 CA GLN A 67 -13.545 -6.178 -2.946 1.00 0.00 C ATOM 998 C GLN A 67 -12.713 -6.287 -1.672 1.00 0.00 C ATOM 999 O GLN A 67 -13.048 -7.048 -0.763 1.00 0.00 O ATOM 1000 CB GLN A 67 -12.877 -6.968 -4.073 1.00 0.00 C ATOM 1001 CG GLN A 67 -11.488 -6.463 -4.430 1.00 0.00 C ATOM 1002 CD GLN A 67 -10.406 -7.068 -3.558 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -10.658 -7.996 -2.788 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -9.191 -6.545 -3.674 1.00 0.00 N ATOM 0 H GLN A 67 -13.431 -4.576 -4.295 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.532 -6.598 -2.751 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.809 -8.016 -3.780 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.509 -6.925 -4.960 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.279 -6.694 -5.475 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.464 -5.378 -4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.026 -5.777 -4.325 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.422 -6.912 -3.113 1.00 0.00 H new ATOM 1013 N TYR A 68 -11.630 -5.521 -1.612 1.00 0.00 N ATOM 1014 CA TYR A 68 -10.749 -5.533 -0.450 1.00 0.00 C ATOM 1015 C TYR A 68 -11.507 -5.136 0.813 1.00 0.00 C ATOM 1016 O TYR A 68 -11.162 -5.559 1.916 1.00 0.00 O ATOM 1017 CB TYR A 68 -9.568 -4.586 -0.669 1.00 0.00 C ATOM 1018 CG TYR A 68 -8.617 -4.521 0.505 1.00 0.00 C ATOM 1019 CD1 TYR A 68 -7.925 -5.650 0.926 1.00 0.00 C ATOM 1020 CD2 TYR A 68 -8.412 -3.332 1.194 1.00 0.00 C ATOM 1021 CE1 TYR A 68 -7.056 -5.596 1.998 1.00 0.00 C ATOM 1022 CE2 TYR A 68 -7.544 -3.269 2.267 1.00 0.00 C ATOM 1023 CZ TYR A 68 -6.868 -4.404 2.665 1.00 0.00 C ATOM 1024 OH TYR A 68 -6.004 -4.345 3.734 1.00 0.00 O ATOM 0 H TYR A 68 -11.341 -4.884 -2.354 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.373 -6.548 -0.322 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.018 -4.904 -1.554 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.949 -3.585 -0.873 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.069 -6.586 0.406 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.940 -2.442 0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.526 -6.483 2.312 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.395 -2.337 2.791 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.539 -5.203 3.827 1.00 0.00 H new ATOM 1034 N ASP A 69 -12.541 -4.321 0.642 1.00 0.00 N ATOM 1035 CA ASP A 69 -13.351 -3.866 1.766 1.00 0.00 C ATOM 1036 C ASP A 69 -14.384 -4.920 2.153 1.00 0.00 C ATOM 1037 O ASP A 69 -14.564 -5.221 3.333 1.00 0.00 O ATOM 1038 CB ASP A 69 -14.051 -2.551 1.420 1.00 0.00 C ATOM 1039 CG ASP A 69 -13.204 -1.339 1.752 1.00 0.00 C ATOM 1040 OD1 ASP A 69 -12.024 -1.310 1.343 1.00 0.00 O ATOM 1041 OD2 ASP A 69 -13.720 -0.419 2.422 1.00 0.00 O ATOM 0 H ASP A 69 -12.839 -3.961 -0.265 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.689 -3.702 2.616 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.294 -2.541 0.357 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.994 -2.491 1.963 1.00 0.00 H new ATOM 1046 N GLN A 70 -15.059 -5.476 1.152 1.00 0.00 N ATOM 1047 CA GLN A 70 -16.074 -6.495 1.388 1.00 0.00 C ATOM 1048 C GLN A 70 -15.436 -7.809 1.826 1.00 0.00 C ATOM 1049 O GLN A 70 -15.718 -8.317 2.911 1.00 0.00 O ATOM 1050 CB GLN A 70 -16.910 -6.715 0.126 1.00 0.00 C ATOM 1051 CG GLN A 70 -17.805 -5.538 -0.224 1.00 0.00 C ATOM 1052 CD GLN A 70 -18.709 -5.130 0.923 1.00 0.00 C ATOM 1053 OE1 GLN A 70 -19.511 -5.928 1.410 1.00 0.00 O ATOM 1054 NE2 GLN A 70 -18.584 -3.883 1.361 1.00 0.00 N ATOM 0 H GLN A 70 -14.921 -5.238 0.170 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.725 -6.144 2.189 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.242 -6.914 -0.712 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -17.528 -7.603 0.260 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.186 -4.689 -0.513 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -18.416 -5.796 -1.089 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -17.906 -3.256 0.928 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -19.166 -3.552 2.131 1.00 0.00 H new ATOM 1063 N PHE A 71 -14.574 -8.355 0.974 1.00 0.00 N ATOM 1064 CA PHE A 71 -13.896 -9.611 1.271 1.00 0.00 C ATOM 1065 C PHE A 71 -12.890 -9.431 2.404 1.00 0.00 C ATOM 1066 O PHE A 71 -12.951 -10.122 3.419 1.00 0.00 O ATOM 1067 CB PHE A 71 -13.187 -10.141 0.023 1.00 0.00 C ATOM 1068 CG PHE A 71 -14.124 -10.723 -0.996 1.00 0.00 C ATOM 1069 CD1 PHE A 71 -15.119 -9.946 -1.567 1.00 0.00 C ATOM 1070 CD2 PHE A 71 -14.010 -12.049 -1.383 1.00 0.00 C ATOM 1071 CE1 PHE A 71 -15.982 -10.479 -2.506 1.00 0.00 C ATOM 1072 CE2 PHE A 71 -14.870 -12.588 -2.322 1.00 0.00 C ATOM 1073 CZ PHE A 71 -15.858 -11.802 -2.883 1.00 0.00 C ATOM 0 H PHE A 71 -14.329 -7.947 0.072 1.00 0.00 H new ATOM 0 HA PHE A 71 -14.647 -10.334 1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -12.622 -9.330 -0.436 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -12.467 -10.903 0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -15.222 -8.911 -1.275 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -13.241 -12.668 -0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -16.752 -9.862 -2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -14.770 -13.622 -2.617 1.00 0.00 H new ATOM 0 HZ PHE A 71 -16.532 -12.221 -3.615 1.00 0.00 H new ATOM 1083 N GLY A 72 -11.962 -8.495 2.220 1.00 0.00 N ATOM 1084 CA GLY A 72 -10.955 -8.241 3.233 1.00 0.00 C ATOM 1085 C GLY A 72 -9.545 -8.345 2.688 1.00 0.00 C ATOM 1086 O GLY A 72 -8.656 -7.600 3.099 1.00 0.00 O ATOM 0 H GLY A 72 -11.891 -7.909 1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.107 -7.246 3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.079 -8.952 4.050 1.00 0.00 H new ATOM 1090 N SER A 73 -9.338 -9.274 1.759 1.00 0.00 N ATOM 1091 CA SER A 73 -8.024 -9.477 1.160 1.00 0.00 C ATOM 1092 C SER A 73 -8.123 -10.364 -0.078 1.00 0.00 C ATOM 1093 O SER A 73 -9.054 -11.155 -0.215 1.00 0.00 O ATOM 1094 CB SER A 73 -7.069 -10.106 2.177 1.00 0.00 C ATOM 1095 OG SER A 73 -6.642 -9.151 3.133 1.00 0.00 O ATOM 0 H SER A 73 -10.064 -9.898 1.405 1.00 0.00 H new ATOM 0 HA SER A 73 -7.634 -8.505 0.859 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.565 -10.935 2.682 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.203 -10.520 1.660 1.00 0.00 H new ATOM 0 HG SER A 73 -7.125 -8.310 2.994 1.00 0.00 H new ATOM 1101 N GLY A 74 -7.154 -10.224 -0.977 1.00 0.00 N ATOM 1102 CA GLY A 74 -7.149 -11.017 -2.192 1.00 0.00 C ATOM 1103 C GLY A 74 -6.310 -12.273 -2.061 1.00 0.00 C ATOM 1104 O GLY A 74 -5.312 -12.306 -1.341 1.00 0.00 O ATOM 0 H GLY A 74 -6.372 -9.575 -0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.172 -11.292 -2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.767 -10.413 -3.015 1.00 0.00 H new ATOM 1108 N PRO A 75 -6.717 -13.337 -2.769 1.00 0.00 N ATOM 1109 CA PRO A 75 -6.010 -14.621 -2.744 1.00 0.00 C ATOM 1110 C PRO A 75 -4.657 -14.552 -3.443 1.00 0.00 C ATOM 1111 O PRO A 75 -4.266 -13.504 -3.956 1.00 0.00 O ATOM 1112 CB PRO A 75 -6.954 -15.560 -3.500 1.00 0.00 C ATOM 1113 CG PRO A 75 -7.743 -14.666 -4.393 1.00 0.00 C ATOM 1114 CD PRO A 75 -7.898 -13.369 -3.648 1.00 0.00 C ATOM 0 HA PRO A 75 -5.788 -14.944 -1.727 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -6.399 -16.302 -4.073 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -7.602 -16.106 -2.814 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -7.230 -14.512 -5.343 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -8.715 -15.103 -4.623 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -7.917 -12.516 -4.326 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.825 -13.343 -3.076 1.00 0.00 H new ATOM 1122 N SER A 76 -3.945 -15.674 -3.458 1.00 0.00 N ATOM 1123 CA SER A 76 -2.633 -15.739 -4.091 1.00 0.00 C ATOM 1124 C SER A 76 -1.803 -14.506 -3.747 1.00 0.00 C ATOM 1125 O SER A 76 -1.244 -13.856 -4.630 1.00 0.00 O ATOM 1126 CB SER A 76 -2.781 -15.862 -5.608 1.00 0.00 C ATOM 1127 OG SER A 76 -3.450 -17.061 -5.960 1.00 0.00 O ATOM 0 H SER A 76 -4.255 -16.551 -3.039 1.00 0.00 H new ATOM 0 HA SER A 76 -2.116 -16.621 -3.711 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.335 -15.006 -5.993 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.797 -15.841 -6.075 1.00 0.00 H new ATOM 0 HG SER A 76 -3.533 -17.115 -6.935 1.00 0.00 H new ATOM 1133 N SER A 77 -1.728 -14.191 -2.458 1.00 0.00 N ATOM 1134 CA SER A 77 -0.970 -13.034 -1.997 1.00 0.00 C ATOM 1135 C SER A 77 -0.366 -13.294 -0.620 1.00 0.00 C ATOM 1136 O SER A 77 -0.830 -14.160 0.120 1.00 0.00 O ATOM 1137 CB SER A 77 -1.867 -11.796 -1.947 1.00 0.00 C ATOM 1138 OG SER A 77 -2.219 -11.369 -3.252 1.00 0.00 O ATOM 0 H SER A 77 -2.183 -14.721 -1.714 1.00 0.00 H new ATOM 0 HA SER A 77 -0.159 -12.858 -2.703 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.770 -12.020 -1.378 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.352 -10.990 -1.424 1.00 0.00 H new ATOM 0 HG SER A 77 -2.902 -11.968 -3.619 1.00 0.00 H new ATOM 1144 N GLY A 78 0.674 -12.536 -0.284 1.00 0.00 N ATOM 1145 CA GLY A 78 1.325 -12.699 1.003 1.00 0.00 C ATOM 1146 C GLY A 78 0.647 -11.905 2.101 1.00 0.00 C ATOM 1147 O GLY A 78 0.294 -12.452 3.145 1.00 0.00 O ATOM 0 H GLY A 78 1.077 -11.813 -0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.330 -13.755 1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.366 -12.386 0.922 1.00 0.00 H new TER 1151 GLY A 78