USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 392 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 Set 1.1: A 20 MET CE :methyl 143:sc= -0.307 (180deg=0) USER MOD Set 1.2: A 48 GLN :FLIP amide:sc= -0.283 F(o=-2.2,f=-0.59) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.137 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -6.2! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0954 K(o=-0.095,f=-0.83) USER MOD Single : A 17 MET CE :methyl -174:sc= -7.55! (180deg=-8.13!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -120:sc= -8.27! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -2.47! C(o=-2.5!,f=-2.8!) USER MOD Single : A 38 TYR OH : rot 121:sc= -2.72! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0442) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.971 13.914 0.428 1.00 0.00 N ATOM 2 CA GLY A 1 19.280 15.174 0.032 1.00 0.00 C ATOM 3 C GLY A 1 19.062 16.048 1.267 1.00 0.00 C ATOM 4 O GLY A 1 19.381 15.664 2.375 1.00 0.00 O ATOM 0 H1 GLY A 1 20.885 13.850 -0.064 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.130 13.913 1.456 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.381 13.098 0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.876 15.711 -0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.323 14.944 -0.437 1.00 0.00 H new ATOM 10 N SER A 2 18.522 17.223 1.087 1.00 0.00 N ATOM 11 CA SER A 2 18.285 18.119 2.256 1.00 0.00 C ATOM 12 C SER A 2 17.247 17.500 3.194 1.00 0.00 C ATOM 13 O SER A 2 17.528 17.233 4.345 1.00 0.00 O ATOM 14 CB SER A 2 17.764 19.425 1.658 1.00 0.00 C ATOM 15 OG SER A 2 18.713 20.459 1.887 1.00 0.00 O ATOM 0 H SER A 2 18.235 17.601 0.184 1.00 0.00 H new ATOM 0 HA SER A 2 19.188 18.277 2.846 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.591 19.305 0.589 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.807 19.688 2.108 1.00 0.00 H new ATOM 0 HG SER A 2 18.382 21.298 1.503 1.00 0.00 H new ATOM 21 N PRO A 3 16.078 17.292 2.660 1.00 0.00 N ATOM 22 CA PRO A 3 14.970 16.693 3.445 1.00 0.00 C ATOM 23 C PRO A 3 15.246 15.209 3.704 1.00 0.00 C ATOM 24 O PRO A 3 15.378 14.434 2.778 1.00 0.00 O ATOM 25 CB PRO A 3 13.755 16.870 2.536 1.00 0.00 C ATOM 26 CG PRO A 3 14.321 16.959 1.154 1.00 0.00 C ATOM 27 CD PRO A 3 15.681 17.592 1.283 1.00 0.00 C ATOM 0 HA PRO A 3 14.835 17.154 4.424 1.00 0.00 H new ATOM 0 HB2 PRO A 3 13.066 16.030 2.628 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.196 17.770 2.793 1.00 0.00 H new ATOM 0 HG2 PRO A 3 14.396 15.970 0.702 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.676 17.556 0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 3 16.386 17.175 0.564 1.00 0.00 H new ATOM 0 HD3 PRO A 3 15.641 18.666 1.104 1.00 0.00 H new ATOM 35 N PRO A 4 15.327 14.864 4.960 1.00 0.00 N ATOM 36 CA PRO A 4 15.592 13.457 5.345 1.00 0.00 C ATOM 37 C PRO A 4 14.358 12.590 5.093 1.00 0.00 C ATOM 38 O PRO A 4 14.372 11.396 5.310 1.00 0.00 O ATOM 39 CB PRO A 4 15.907 13.544 6.836 1.00 0.00 C ATOM 40 CG PRO A 4 15.226 14.792 7.302 1.00 0.00 C ATOM 41 CD PRO A 4 15.181 15.739 6.130 1.00 0.00 C ATOM 0 HA PRO A 4 16.400 13.002 4.772 1.00 0.00 H new ATOM 0 HB2 PRO A 4 15.536 12.669 7.370 1.00 0.00 H new ATOM 0 HB3 PRO A 4 16.982 13.592 7.010 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.219 14.571 7.657 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.768 15.238 8.136 1.00 0.00 H new ATOM 0 HD2 PRO A 4 14.242 16.292 6.100 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.983 16.475 6.181 1.00 0.00 H new ATOM 49 N GLU A 5 13.294 13.182 4.630 1.00 0.00 N ATOM 50 CA GLU A 5 12.066 12.385 4.358 1.00 0.00 C ATOM 51 C GLU A 5 12.400 11.200 3.459 1.00 0.00 C ATOM 52 O GLU A 5 12.554 10.084 3.912 1.00 0.00 O ATOM 53 CB GLU A 5 11.117 13.343 3.656 1.00 0.00 C ATOM 54 CG GLU A 5 9.856 13.526 4.504 1.00 0.00 C ATOM 55 CD GLU A 5 9.089 14.758 4.019 1.00 0.00 C ATOM 56 OE1 GLU A 5 8.925 14.895 2.818 1.00 0.00 O ATOM 57 OE2 GLU A 5 8.679 15.544 4.858 1.00 0.00 O ATOM 0 H GLU A 5 13.221 14.179 4.429 1.00 0.00 H new ATOM 0 HA GLU A 5 11.626 11.978 5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.605 14.305 3.499 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.853 12.955 2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.225 12.640 4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.125 13.642 5.554 1.00 0.00 H new ATOM 64 N ALA A 6 12.519 11.446 2.190 1.00 0.00 N ATOM 65 CA ALA A 6 12.852 10.353 1.223 1.00 0.00 C ATOM 66 C ALA A 6 11.650 9.421 1.011 1.00 0.00 C ATOM 67 O ALA A 6 11.707 8.503 0.219 1.00 0.00 O ATOM 68 CB ALA A 6 14.016 9.588 1.859 1.00 0.00 C ATOM 0 H ALA A 6 12.400 12.367 1.769 1.00 0.00 H new ATOM 0 HA ALA A 6 13.112 10.752 0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.314 8.769 1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.859 10.263 2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 6 13.704 9.186 2.823 1.00 0.00 H new ATOM 74 N ASP A 7 10.564 9.650 1.706 1.00 0.00 N ATOM 75 CA ASP A 7 9.363 8.774 1.537 1.00 0.00 C ATOM 76 C ASP A 7 9.786 7.309 1.389 1.00 0.00 C ATOM 77 O ASP A 7 9.472 6.668 0.406 1.00 0.00 O ATOM 78 CB ASP A 7 8.693 9.271 0.256 1.00 0.00 C ATOM 79 CG ASP A 7 7.213 8.883 0.271 1.00 0.00 C ATOM 80 OD1 ASP A 7 6.491 9.419 1.095 1.00 0.00 O ATOM 81 OD2 ASP A 7 6.828 8.060 -0.542 1.00 0.00 O ATOM 0 H ASP A 7 10.457 10.405 2.383 1.00 0.00 H new ATOM 0 HA ASP A 7 8.693 8.822 2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 7 8.795 10.353 0.176 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.185 8.839 -0.616 1.00 0.00 H new ATOM 86 N PRO A 8 10.495 6.832 2.375 1.00 0.00 N ATOM 87 CA PRO A 8 10.981 5.435 2.360 1.00 0.00 C ATOM 88 C PRO A 8 9.886 4.465 2.816 1.00 0.00 C ATOM 89 O PRO A 8 9.905 3.298 2.476 1.00 0.00 O ATOM 90 CB PRO A 8 12.130 5.451 3.361 1.00 0.00 C ATOM 91 CG PRO A 8 11.834 6.587 4.294 1.00 0.00 C ATOM 92 CD PRO A 8 10.910 7.547 3.583 1.00 0.00 C ATOM 0 HA PRO A 8 11.279 5.103 1.365 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.193 4.506 3.901 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.086 5.595 2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.370 6.218 5.208 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.756 7.091 4.586 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.053 7.806 4.205 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.419 8.479 3.337 1.00 0.00 H new ATOM 100 N ARG A 9 8.937 4.924 3.587 1.00 0.00 N ATOM 101 CA ARG A 9 7.867 4.006 4.055 1.00 0.00 C ATOM 102 C ARG A 9 6.848 3.759 2.943 1.00 0.00 C ATOM 103 O ARG A 9 6.037 2.857 3.017 1.00 0.00 O ATOM 104 CB ARG A 9 7.232 4.709 5.239 1.00 0.00 C ATOM 105 CG ARG A 9 7.729 4.076 6.540 1.00 0.00 C ATOM 106 CD ARG A 9 7.116 4.811 7.734 1.00 0.00 C ATOM 107 NE ARG A 9 8.084 4.607 8.848 1.00 0.00 N ATOM 108 CZ ARG A 9 7.681 4.690 10.085 1.00 0.00 C ATOM 109 NH1 ARG A 9 6.941 3.744 10.596 1.00 0.00 N ATOM 110 NH2 ARG A 9 8.019 5.718 10.814 1.00 0.00 N ATOM 0 H ARG A 9 8.859 5.889 3.909 1.00 0.00 H new ATOM 0 HA ARG A 9 8.256 3.027 4.334 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.481 5.770 5.221 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.146 4.635 5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.457 3.021 6.570 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.817 4.126 6.588 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.980 5.871 7.518 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.135 4.408 7.985 1.00 0.00 H new ATOM 0 HE ARG A 9 9.062 4.402 8.643 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.678 2.939 10.027 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.626 3.810 11.564 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.599 6.457 10.416 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.704 5.783 11.782 1.00 0.00 H new ATOM 124 N LEU A 10 6.895 4.542 1.903 1.00 0.00 N ATOM 125 CA LEU A 10 5.942 4.335 0.775 1.00 0.00 C ATOM 126 C LEU A 10 6.387 3.116 -0.027 1.00 0.00 C ATOM 127 O LEU A 10 5.583 2.383 -0.567 1.00 0.00 O ATOM 128 CB LEU A 10 6.030 5.603 -0.081 1.00 0.00 C ATOM 129 CG LEU A 10 5.475 5.322 -1.479 1.00 0.00 C ATOM 130 CD1 LEU A 10 4.534 6.455 -1.891 1.00 0.00 C ATOM 131 CD2 LEU A 10 6.631 5.232 -2.478 1.00 0.00 C ATOM 0 H LEU A 10 7.550 5.315 1.784 1.00 0.00 H new ATOM 0 HA LEU A 10 4.921 4.162 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.467 6.410 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.066 5.935 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 10 4.928 4.379 -1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.138 6.255 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.711 6.521 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.082 7.397 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.236 5.032 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.178 6.175 -2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.303 4.425 -2.185 1.00 0.00 H new ATOM 143 N ILE A 11 7.670 2.892 -0.097 1.00 0.00 N ATOM 144 CA ILE A 11 8.185 1.720 -0.845 1.00 0.00 C ATOM 145 C ILE A 11 8.186 0.500 0.080 1.00 0.00 C ATOM 146 O ILE A 11 7.728 -0.564 -0.285 1.00 0.00 O ATOM 147 CB ILE A 11 9.605 2.134 -1.267 1.00 0.00 C ATOM 148 CG1 ILE A 11 9.574 2.644 -2.710 1.00 0.00 C ATOM 149 CG2 ILE A 11 10.567 0.948 -1.172 1.00 0.00 C ATOM 150 CD1 ILE A 11 8.962 1.574 -3.616 1.00 0.00 C ATOM 0 H ILE A 11 8.385 3.476 0.336 1.00 0.00 H new ATOM 0 HA ILE A 11 7.585 1.447 -1.713 1.00 0.00 H new ATOM 0 HB ILE A 11 9.953 2.920 -0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.991 3.563 -2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.583 2.884 -3.044 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.565 1.264 -1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.598 0.586 -0.144 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.225 0.148 -1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.940 1.937 -4.644 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.563 0.666 -3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.946 1.356 -3.286 1.00 0.00 H new ATOM 162 N GLU A 12 8.684 0.648 1.280 1.00 0.00 N ATOM 163 CA GLU A 12 8.690 -0.504 2.215 1.00 0.00 C ATOM 164 C GLU A 12 7.332 -1.190 2.170 1.00 0.00 C ATOM 165 O GLU A 12 7.204 -2.296 1.684 1.00 0.00 O ATOM 166 CB GLU A 12 8.943 0.086 3.587 1.00 0.00 C ATOM 167 CG GLU A 12 10.219 -0.516 4.177 1.00 0.00 C ATOM 168 CD GLU A 12 10.071 -2.037 4.273 1.00 0.00 C ATOM 169 OE1 GLU A 12 8.962 -2.516 4.102 1.00 0.00 O ATOM 170 OE2 GLU A 12 11.069 -2.695 4.515 1.00 0.00 O ATOM 0 H GLU A 12 9.083 1.512 1.647 1.00 0.00 H new ATOM 0 HA GLU A 12 9.447 -1.246 1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.039 1.169 3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.096 -0.117 4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.076 -0.262 3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.409 -0.096 5.165 1.00 0.00 H new ATOM 177 N SER A 13 6.302 -0.534 2.643 1.00 0.00 N ATOM 178 CA SER A 13 4.960 -1.150 2.583 1.00 0.00 C ATOM 179 C SER A 13 4.767 -1.707 1.176 1.00 0.00 C ATOM 180 O SER A 13 4.384 -2.846 0.994 1.00 0.00 O ATOM 181 CB SER A 13 3.983 -0.008 2.864 1.00 0.00 C ATOM 182 OG SER A 13 3.430 -0.173 4.163 1.00 0.00 O ATOM 0 H SER A 13 6.340 0.394 3.064 1.00 0.00 H new ATOM 0 HA SER A 13 4.815 -1.963 3.294 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.496 0.951 2.794 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.190 -0.000 2.117 1.00 0.00 H new ATOM 0 HG SER A 13 2.804 0.558 4.347 1.00 0.00 H new ATOM 188 N LEU A 14 5.073 -0.921 0.177 1.00 0.00 N ATOM 189 CA LEU A 14 4.946 -1.424 -1.216 1.00 0.00 C ATOM 190 C LEU A 14 5.653 -2.771 -1.337 1.00 0.00 C ATOM 191 O LEU A 14 5.110 -3.720 -1.865 1.00 0.00 O ATOM 192 CB LEU A 14 5.628 -0.382 -2.088 1.00 0.00 C ATOM 193 CG LEU A 14 4.740 -0.116 -3.297 1.00 0.00 C ATOM 194 CD1 LEU A 14 4.877 1.342 -3.722 1.00 0.00 C ATOM 195 CD2 LEU A 14 5.160 -1.034 -4.443 1.00 0.00 C ATOM 0 H LEU A 14 5.403 0.040 0.267 1.00 0.00 H new ATOM 0 HA LEU A 14 3.907 -1.571 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.789 0.538 -1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.608 -0.736 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 14 3.700 -0.314 -3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.241 1.530 -4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.573 1.991 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.915 1.549 -3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.527 -0.847 -5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.200 -0.838 -4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.054 -2.074 -4.134 1.00 0.00 H new ATOM 207 N SER A 15 6.858 -2.872 -0.837 1.00 0.00 N ATOM 208 CA SER A 15 7.570 -4.169 -0.920 1.00 0.00 C ATOM 209 C SER A 15 6.745 -5.227 -0.194 1.00 0.00 C ATOM 210 O SER A 15 6.545 -6.324 -0.677 1.00 0.00 O ATOM 211 CB SER A 15 8.908 -3.943 -0.214 1.00 0.00 C ATOM 212 OG SER A 15 9.855 -4.888 -0.694 1.00 0.00 O ATOM 0 H SER A 15 7.370 -2.117 -0.380 1.00 0.00 H new ATOM 0 HA SER A 15 7.721 -4.509 -1.945 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.263 -2.929 -0.398 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.786 -4.048 0.864 1.00 0.00 H new ATOM 0 HG SER A 15 10.715 -4.746 -0.246 1.00 0.00 H new ATOM 218 N GLN A 16 6.254 -4.888 0.963 1.00 0.00 N ATOM 219 CA GLN A 16 5.428 -5.837 1.741 1.00 0.00 C ATOM 220 C GLN A 16 4.205 -6.271 0.934 1.00 0.00 C ATOM 221 O GLN A 16 3.745 -7.391 1.045 1.00 0.00 O ATOM 222 CB GLN A 16 5.024 -5.045 2.972 1.00 0.00 C ATOM 223 CG GLN A 16 5.865 -5.496 4.163 1.00 0.00 C ATOM 224 CD GLN A 16 4.963 -6.157 5.207 1.00 0.00 C ATOM 225 OE1 GLN A 16 4.001 -6.816 4.866 1.00 0.00 O ATOM 226 NE2 GLN A 16 5.235 -6.008 6.474 1.00 0.00 N ATOM 0 H GLN A 16 6.394 -3.980 1.405 1.00 0.00 H new ATOM 0 HA GLN A 16 5.958 -6.755 1.995 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.166 -3.979 2.795 1.00 0.00 H new ATOM 0 HB3 GLN A 16 3.965 -5.195 3.183 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.632 -6.197 3.835 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.380 -4.642 4.602 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.043 -5.455 6.761 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.640 -6.445 7.178 1.00 0.00 H new ATOM 235 N MET A 17 3.678 -5.405 0.114 1.00 0.00 N ATOM 236 CA MET A 17 2.500 -5.786 -0.700 1.00 0.00 C ATOM 237 C MET A 17 2.943 -6.740 -1.809 1.00 0.00 C ATOM 238 O MET A 17 2.171 -7.535 -2.304 1.00 0.00 O ATOM 239 CB MET A 17 1.993 -4.474 -1.286 1.00 0.00 C ATOM 240 CG MET A 17 1.043 -3.801 -0.296 1.00 0.00 C ATOM 241 SD MET A 17 1.798 -2.277 0.321 1.00 0.00 S ATOM 242 CE MET A 17 1.481 -1.257 -1.139 1.00 0.00 C ATOM 0 H MET A 17 4.014 -4.452 -0.025 1.00 0.00 H new ATOM 0 HA MET A 17 1.727 -6.294 -0.124 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.832 -3.814 -1.505 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.479 -4.660 -2.229 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.093 -3.578 -0.781 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.827 -4.475 0.533 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.964 -0.288 -1.018 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.880 -1.753 -2.023 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.407 -1.114 -1.257 1.00 0.00 H new ATOM 252 N LEU A 18 4.190 -6.668 -2.194 1.00 0.00 N ATOM 253 CA LEU A 18 4.690 -7.573 -3.264 1.00 0.00 C ATOM 254 C LEU A 18 4.935 -8.965 -2.689 1.00 0.00 C ATOM 255 O LEU A 18 4.998 -9.944 -3.407 1.00 0.00 O ATOM 256 CB LEU A 18 5.999 -6.946 -3.743 1.00 0.00 C ATOM 257 CG LEU A 18 6.267 -7.366 -5.189 1.00 0.00 C ATOM 258 CD1 LEU A 18 6.231 -6.133 -6.094 1.00 0.00 C ATOM 259 CD2 LEU A 18 7.645 -8.024 -5.282 1.00 0.00 C ATOM 0 H LEU A 18 4.881 -6.022 -1.813 1.00 0.00 H new ATOM 0 HA LEU A 18 3.978 -7.684 -4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.941 -5.860 -3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.822 -7.263 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 18 5.503 -8.074 -5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.422 -6.432 -7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.250 -5.662 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.995 -5.425 -5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.836 -8.324 -6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.409 -7.315 -4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.673 -8.903 -4.638 1.00 0.00 H new ATOM 271 N SER A 19 5.068 -9.059 -1.399 1.00 0.00 N ATOM 272 CA SER A 19 5.303 -10.389 -0.772 1.00 0.00 C ATOM 273 C SER A 19 3.985 -10.962 -0.246 1.00 0.00 C ATOM 274 O SER A 19 3.945 -11.613 0.779 1.00 0.00 O ATOM 275 CB SER A 19 6.269 -10.119 0.382 1.00 0.00 C ATOM 276 OG SER A 19 7.204 -11.186 0.469 1.00 0.00 O ATOM 0 H SER A 19 5.024 -8.274 -0.750 1.00 0.00 H new ATOM 0 HA SER A 19 5.707 -11.114 -1.478 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.790 -9.175 0.222 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.719 -10.025 1.318 1.00 0.00 H new ATOM 0 HG SER A 19 7.826 -11.016 1.207 1.00 0.00 H new ATOM 282 N MET A 20 2.902 -10.717 -0.934 1.00 0.00 N ATOM 283 CA MET A 20 1.589 -11.242 -0.461 1.00 0.00 C ATOM 284 C MET A 20 0.810 -11.910 -1.591 1.00 0.00 C ATOM 285 O MET A 20 0.373 -13.038 -1.482 1.00 0.00 O ATOM 286 CB MET A 20 0.847 -10.020 0.056 1.00 0.00 C ATOM 287 CG MET A 20 -0.311 -10.454 0.959 1.00 0.00 C ATOM 288 SD MET A 20 0.310 -11.488 2.310 1.00 0.00 S ATOM 289 CE MET A 20 -0.562 -10.650 3.655 1.00 0.00 C ATOM 0 H MET A 20 2.870 -10.178 -1.800 1.00 0.00 H new ATOM 0 HA MET A 20 1.715 -12.008 0.304 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.530 -9.377 0.611 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.467 -9.434 -0.781 1.00 0.00 H new ATOM 0 HG2 MET A 20 -0.816 -9.577 1.364 1.00 0.00 H new ATOM 0 HG3 MET A 20 -1.049 -11.006 0.377 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.884 -11.385 4.393 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.105 -9.929 4.128 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.433 -10.131 3.256 1.00 0.00 H new ATOM 299 N GLY A 21 0.611 -11.208 -2.655 1.00 0.00 N ATOM 300 CA GLY A 21 -0.163 -11.758 -3.790 1.00 0.00 C ATOM 301 C GLY A 21 -1.211 -10.727 -4.140 1.00 0.00 C ATOM 302 O GLY A 21 -2.385 -11.011 -4.267 1.00 0.00 O ATOM 0 H GLY A 21 0.957 -10.258 -2.792 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.487 -11.954 -4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.628 -12.706 -3.519 1.00 0.00 H new ATOM 306 N PHE A 22 -0.783 -9.511 -4.221 1.00 0.00 N ATOM 307 CA PHE A 22 -1.714 -8.400 -4.477 1.00 0.00 C ATOM 308 C PHE A 22 -1.833 -8.027 -5.949 1.00 0.00 C ATOM 309 O PHE A 22 -1.198 -8.588 -6.821 1.00 0.00 O ATOM 310 CB PHE A 22 -1.102 -7.248 -3.697 1.00 0.00 C ATOM 311 CG PHE A 22 -1.339 -7.441 -2.232 1.00 0.00 C ATOM 312 CD1 PHE A 22 -1.872 -8.639 -1.741 1.00 0.00 C ATOM 313 CD2 PHE A 22 -1.052 -6.394 -1.368 1.00 0.00 C ATOM 314 CE1 PHE A 22 -2.118 -8.778 -0.380 1.00 0.00 C ATOM 315 CE2 PHE A 22 -1.304 -6.527 -0.011 1.00 0.00 C ATOM 316 CZ PHE A 22 -1.841 -7.722 0.484 1.00 0.00 C ATOM 0 H PHE A 22 0.194 -9.236 -4.118 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.729 -8.663 -4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.032 -7.190 -3.896 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.538 -6.304 -4.023 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.091 -9.452 -2.417 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.633 -5.476 -1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.523 -9.702 0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.087 -5.711 0.663 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.041 -7.825 1.540 1.00 0.00 H new ATOM 326 N SER A 23 -2.669 -7.064 -6.198 1.00 0.00 N ATOM 327 CA SER A 23 -2.914 -6.575 -7.572 1.00 0.00 C ATOM 328 C SER A 23 -2.377 -5.152 -7.742 1.00 0.00 C ATOM 329 O SER A 23 -1.437 -4.744 -7.088 1.00 0.00 O ATOM 330 CB SER A 23 -4.435 -6.565 -7.702 1.00 0.00 C ATOM 331 OG SER A 23 -4.823 -7.375 -8.803 1.00 0.00 O ATOM 0 H SER A 23 -3.209 -6.582 -5.479 1.00 0.00 H new ATOM 0 HA SER A 23 -2.423 -7.195 -8.322 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.891 -6.937 -6.785 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.792 -5.545 -7.844 1.00 0.00 H new ATOM 0 HG SER A 23 -5.800 -7.370 -8.885 1.00 0.00 H new ATOM 337 N ASP A 24 -2.983 -4.391 -8.615 1.00 0.00 N ATOM 338 CA ASP A 24 -2.538 -2.987 -8.838 1.00 0.00 C ATOM 339 C ASP A 24 -3.524 -2.276 -9.770 1.00 0.00 C ATOM 340 O ASP A 24 -3.159 -1.390 -10.516 1.00 0.00 O ATOM 341 CB ASP A 24 -1.162 -3.102 -9.489 1.00 0.00 C ATOM 342 CG ASP A 24 -0.343 -1.851 -9.168 1.00 0.00 C ATOM 343 OD1 ASP A 24 -0.839 -1.015 -8.431 1.00 0.00 O ATOM 344 OD2 ASP A 24 0.769 -1.750 -9.663 1.00 0.00 O ATOM 0 H ASP A 24 -3.774 -4.686 -9.187 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.495 -2.409 -7.915 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.648 -3.991 -9.124 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.266 -3.215 -10.568 1.00 0.00 H new ATOM 349 N GLU A 25 -4.771 -2.667 -9.728 1.00 0.00 N ATOM 350 CA GLU A 25 -5.796 -2.026 -10.607 1.00 0.00 C ATOM 351 C GLU A 25 -5.554 -0.522 -10.706 1.00 0.00 C ATOM 352 O GLU A 25 -4.952 -0.037 -11.644 1.00 0.00 O ATOM 353 CB GLU A 25 -7.156 -2.314 -9.950 1.00 0.00 C ATOM 354 CG GLU A 25 -7.016 -2.381 -8.424 1.00 0.00 C ATOM 355 CD GLU A 25 -8.203 -1.670 -7.770 1.00 0.00 C ATOM 356 OE1 GLU A 25 -8.489 -0.552 -8.165 1.00 0.00 O ATOM 357 OE2 GLU A 25 -8.805 -2.256 -6.886 1.00 0.00 O ATOM 0 H GLU A 25 -5.126 -3.406 -9.121 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.753 -2.420 -11.622 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.869 -1.535 -10.221 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.555 -3.256 -10.326 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.976 -3.420 -8.097 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.082 -1.913 -8.113 1.00 0.00 H new ATOM 364 N GLY A 26 -6.017 0.215 -9.746 1.00 0.00 N ATOM 365 CA GLY A 26 -5.818 1.692 -9.769 1.00 0.00 C ATOM 366 C GLY A 26 -4.414 2.034 -9.261 1.00 0.00 C ATOM 367 O GLY A 26 -4.235 2.944 -8.475 1.00 0.00 O ATOM 0 H GLY A 26 -6.529 -0.139 -8.938 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.950 2.070 -10.783 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.569 2.179 -9.147 1.00 0.00 H new ATOM 371 N GLY A 27 -3.419 1.316 -9.708 1.00 0.00 N ATOM 372 CA GLY A 27 -2.025 1.595 -9.264 1.00 0.00 C ATOM 373 C GLY A 27 -1.999 1.928 -7.771 1.00 0.00 C ATOM 374 O GLY A 27 -1.250 2.780 -7.336 1.00 0.00 O ATOM 0 H GLY A 27 -3.514 0.543 -10.366 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.393 0.729 -9.461 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.614 2.427 -9.836 1.00 0.00 H new ATOM 378 N TRP A 28 -2.803 1.272 -6.976 1.00 0.00 N ATOM 379 CA TRP A 28 -2.797 1.572 -5.525 1.00 0.00 C ATOM 380 C TRP A 28 -1.499 1.073 -4.892 1.00 0.00 C ATOM 381 O TRP A 28 -1.022 1.632 -3.927 1.00 0.00 O ATOM 382 CB TRP A 28 -4.006 0.832 -4.961 1.00 0.00 C ATOM 383 CG TRP A 28 -3.879 -0.620 -5.218 1.00 0.00 C ATOM 384 CD1 TRP A 28 -4.578 -1.292 -6.138 1.00 0.00 C ATOM 385 CD2 TRP A 28 -3.042 -1.585 -4.556 1.00 0.00 C ATOM 386 NE1 TRP A 28 -4.204 -2.625 -6.102 1.00 0.00 N ATOM 387 CE2 TRP A 28 -3.261 -2.849 -5.139 1.00 0.00 C ATOM 388 CE3 TRP A 28 -2.120 -1.486 -3.524 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -2.584 -3.975 -4.708 1.00 0.00 C ATOM 390 CZ3 TRP A 28 -1.446 -2.606 -3.081 1.00 0.00 C ATOM 391 CH2 TRP A 28 -1.671 -3.853 -3.667 1.00 0.00 C ATOM 0 H TRP A 28 -3.457 0.547 -7.271 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.853 2.641 -5.319 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.086 1.014 -3.889 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.920 1.211 -5.418 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.315 -0.865 -6.802 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.584 -3.346 -6.715 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.929 -0.527 -3.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.762 -4.934 -5.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.736 -2.517 -2.272 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.136 -4.722 -3.312 1.00 0.00 H new ATOM 402 N LEU A 29 -0.901 0.045 -5.425 1.00 0.00 N ATOM 403 CA LEU A 29 0.370 -0.430 -4.830 1.00 0.00 C ATOM 404 C LEU A 29 1.275 0.782 -4.588 1.00 0.00 C ATOM 405 O LEU A 29 2.105 0.789 -3.703 1.00 0.00 O ATOM 406 CB LEU A 29 0.961 -1.386 -5.867 1.00 0.00 C ATOM 407 CG LEU A 29 0.690 -2.826 -5.423 1.00 0.00 C ATOM 408 CD1 LEU A 29 1.274 -3.815 -6.428 1.00 0.00 C ATOM 409 CD2 LEU A 29 1.335 -3.067 -4.060 1.00 0.00 C ATOM 0 H LEU A 29 -1.234 -0.478 -6.235 1.00 0.00 H new ATOM 0 HA LEU A 29 0.246 -0.936 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.517 -1.203 -6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.033 -1.218 -5.967 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.388 -2.974 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.072 -4.833 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.817 -3.654 -7.404 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.351 -3.665 -6.502 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.143 -4.092 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.410 -2.905 -4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.913 -2.376 -3.330 1.00 0.00 H new ATOM 421 N THR A 30 1.090 1.820 -5.360 1.00 0.00 N ATOM 422 CA THR A 30 1.904 3.055 -5.175 1.00 0.00 C ATOM 423 C THR A 30 1.088 4.118 -4.424 1.00 0.00 C ATOM 424 O THR A 30 1.596 4.813 -3.566 1.00 0.00 O ATOM 425 CB THR A 30 2.227 3.528 -6.594 1.00 0.00 C ATOM 426 OG1 THR A 30 3.175 2.647 -7.180 1.00 0.00 O ATOM 427 CG2 THR A 30 2.805 4.944 -6.543 1.00 0.00 C ATOM 0 H THR A 30 0.406 1.865 -6.115 1.00 0.00 H new ATOM 0 HA THR A 30 2.806 2.875 -4.589 1.00 0.00 H new ATOM 0 HB THR A 30 1.316 3.532 -7.193 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.382 2.947 -8.090 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.035 5.280 -7.554 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.076 5.618 -6.093 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.716 4.944 -5.945 1.00 0.00 H new ATOM 435 N ARG A 31 -0.174 4.253 -4.749 1.00 0.00 N ATOM 436 CA ARG A 31 -1.028 5.274 -4.065 1.00 0.00 C ATOM 437 C ARG A 31 -1.690 4.679 -2.819 1.00 0.00 C ATOM 438 O ARG A 31 -1.775 5.328 -1.797 1.00 0.00 O ATOM 439 CB ARG A 31 -2.085 5.660 -5.100 1.00 0.00 C ATOM 440 CG ARG A 31 -2.787 6.946 -4.658 1.00 0.00 C ATOM 441 CD ARG A 31 -3.800 7.369 -5.725 1.00 0.00 C ATOM 442 NE ARG A 31 -3.024 7.422 -6.994 1.00 0.00 N ATOM 443 CZ ARG A 31 -3.512 6.889 -8.080 1.00 0.00 C ATOM 444 NH1 ARG A 31 -3.267 5.638 -8.360 1.00 0.00 N ATOM 445 NH2 ARG A 31 -4.245 7.607 -8.887 1.00 0.00 N ATOM 0 H ARG A 31 -0.651 3.699 -5.460 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.447 6.133 -3.729 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.619 5.804 -6.075 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.812 4.856 -5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.292 6.788 -3.705 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.054 7.738 -4.503 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.621 6.656 -5.794 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.239 8.339 -5.490 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.110 7.875 -7.014 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.694 5.077 -7.730 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.649 5.221 -9.209 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.436 8.585 -8.668 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.627 7.190 -9.736 1.00 0.00 H new ATOM 459 N LEU A 32 -2.157 3.452 -2.902 1.00 0.00 N ATOM 460 CA LEU A 32 -2.815 2.795 -1.726 1.00 0.00 C ATOM 461 C LEU A 32 -2.175 3.299 -0.430 1.00 0.00 C ATOM 462 O LEU A 32 -2.788 3.976 0.370 1.00 0.00 O ATOM 463 CB LEU A 32 -2.523 1.313 -1.879 1.00 0.00 C ATOM 464 CG LEU A 32 -3.412 0.518 -0.920 1.00 0.00 C ATOM 465 CD1 LEU A 32 -4.865 0.596 -1.388 1.00 0.00 C ATOM 466 CD2 LEU A 32 -2.961 -0.943 -0.900 1.00 0.00 C ATOM 0 H LEU A 32 -2.109 2.875 -3.742 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.883 3.007 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.706 0.999 -2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.472 1.114 -1.668 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.330 0.938 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.498 0.030 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.187 1.637 -1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.947 0.177 -2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.594 -1.510 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.042 -1.363 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.925 -0.999 -0.566 1.00 0.00 H new ATOM 478 N LEU A 33 -0.913 2.992 -0.257 1.00 0.00 N ATOM 479 CA LEU A 33 -0.165 3.463 0.940 1.00 0.00 C ATOM 480 C LEU A 33 -0.466 4.939 1.152 1.00 0.00 C ATOM 481 O LEU A 33 -0.911 5.364 2.199 1.00 0.00 O ATOM 482 CB LEU A 33 1.301 3.282 0.536 1.00 0.00 C ATOM 483 CG LEU A 33 1.908 2.080 1.256 1.00 0.00 C ATOM 484 CD1 LEU A 33 0.931 0.905 1.199 1.00 0.00 C ATOM 485 CD2 LEU A 33 3.215 1.691 0.562 1.00 0.00 C ATOM 0 H LEU A 33 -0.366 2.427 -0.906 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.419 2.934 1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.373 3.142 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.865 4.182 0.779 1.00 0.00 H new ATOM 0 HG LEU A 33 2.105 2.335 2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.364 0.047 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.004 1.185 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.736 0.644 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.655 0.833 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.012 1.433 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.910 2.530 0.598 1.00 0.00 H new ATOM 497 N GLN A 34 -0.215 5.714 0.143 1.00 0.00 N ATOM 498 CA GLN A 34 -0.460 7.164 0.216 1.00 0.00 C ATOM 499 C GLN A 34 -1.946 7.460 0.458 1.00 0.00 C ATOM 500 O GLN A 34 -2.293 8.420 1.115 1.00 0.00 O ATOM 501 CB GLN A 34 -0.020 7.659 -1.154 1.00 0.00 C ATOM 502 CG GLN A 34 1.475 7.976 -1.130 1.00 0.00 C ATOM 503 CD GLN A 34 1.752 9.196 -2.009 1.00 0.00 C ATOM 504 OE1 GLN A 34 1.417 10.307 -1.650 1.00 0.00 O ATOM 505 NE2 GLN A 34 2.356 9.035 -3.155 1.00 0.00 N ATOM 0 H GLN A 34 0.159 5.390 -0.749 1.00 0.00 H new ATOM 0 HA GLN A 34 0.071 7.647 1.036 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.229 6.902 -1.910 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.586 8.549 -1.429 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.800 8.170 -0.108 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.045 7.119 -1.489 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.637 8.102 -3.457 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.547 9.842 -3.749 1.00 0.00 H new ATOM 514 N THR A 35 -2.831 6.652 -0.072 1.00 0.00 N ATOM 515 CA THR A 35 -4.281 6.909 0.131 1.00 0.00 C ATOM 516 C THR A 35 -4.606 7.028 1.622 1.00 0.00 C ATOM 517 O THR A 35 -5.277 7.947 2.048 1.00 0.00 O ATOM 518 CB THR A 35 -4.995 5.710 -0.477 1.00 0.00 C ATOM 519 OG1 THR A 35 -4.091 4.984 -1.296 1.00 0.00 O ATOM 520 CG2 THR A 35 -6.178 6.191 -1.318 1.00 0.00 C ATOM 0 H THR A 35 -2.608 5.830 -0.633 1.00 0.00 H new ATOM 0 HA THR A 35 -4.593 7.845 -0.333 1.00 0.00 H new ATOM 0 HB THR A 35 -5.359 5.062 0.321 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.430 4.959 -2.215 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.689 5.332 -1.753 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.873 6.744 -0.686 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.817 6.841 -2.116 1.00 0.00 H new ATOM 528 N LYS A 36 -4.137 6.108 2.418 1.00 0.00 N ATOM 529 CA LYS A 36 -4.424 6.174 3.879 1.00 0.00 C ATOM 530 C LYS A 36 -3.116 6.198 4.676 1.00 0.00 C ATOM 531 O LYS A 36 -3.022 5.649 5.756 1.00 0.00 O ATOM 532 CB LYS A 36 -5.224 4.906 4.180 1.00 0.00 C ATOM 533 CG LYS A 36 -6.689 5.124 3.798 1.00 0.00 C ATOM 534 CD LYS A 36 -7.291 3.809 3.298 1.00 0.00 C ATOM 535 CE LYS A 36 -8.755 4.030 2.912 1.00 0.00 C ATOM 536 NZ LYS A 36 -9.384 2.684 3.001 1.00 0.00 N ATOM 0 H LYS A 36 -3.569 5.315 2.121 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.973 7.074 4.155 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.814 4.064 3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.146 4.657 5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.249 5.488 4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.764 5.887 3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.729 3.443 2.439 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.220 3.046 4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.239 4.737 3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.840 4.440 1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.391 2.754 2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.908 2.034 2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.294 2.322 3.972 1.00 0.00 H new ATOM 550 N ASN A 37 -2.108 6.844 4.156 1.00 0.00 N ATOM 551 CA ASN A 37 -0.812 6.917 4.882 1.00 0.00 C ATOM 552 C ASN A 37 -0.298 5.512 5.216 1.00 0.00 C ATOM 553 O ASN A 37 -0.404 5.052 6.335 1.00 0.00 O ATOM 554 CB ASN A 37 -1.138 7.694 6.153 1.00 0.00 C ATOM 555 CG ASN A 37 0.117 7.822 7.018 1.00 0.00 C ATOM 556 OD1 ASN A 37 0.776 6.843 7.305 1.00 0.00 O ATOM 557 ND2 ASN A 37 0.476 9.000 7.451 1.00 0.00 N ATOM 0 H ASN A 37 -2.128 7.325 3.257 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.028 7.394 4.293 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.518 8.683 5.898 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.924 7.185 6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.310 9.098 8.030 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.077 9.822 7.210 1.00 0.00 H new ATOM 564 N TYR A 38 0.269 4.835 4.253 1.00 0.00 N ATOM 565 CA TYR A 38 0.802 3.466 4.512 1.00 0.00 C ATOM 566 C TYR A 38 -0.157 2.672 5.399 1.00 0.00 C ATOM 567 O TYR A 38 0.244 1.991 6.322 1.00 0.00 O ATOM 568 CB TYR A 38 2.133 3.702 5.213 1.00 0.00 C ATOM 569 CG TYR A 38 2.958 4.670 4.397 1.00 0.00 C ATOM 570 CD1 TYR A 38 2.663 4.876 3.043 1.00 0.00 C ATOM 571 CD2 TYR A 38 4.017 5.362 4.992 1.00 0.00 C ATOM 572 CE1 TYR A 38 3.425 5.765 2.288 1.00 0.00 C ATOM 573 CE2 TYR A 38 4.779 6.257 4.236 1.00 0.00 C ATOM 574 CZ TYR A 38 4.486 6.457 2.885 1.00 0.00 C ATOM 575 OH TYR A 38 5.237 7.350 2.148 1.00 0.00 O ATOM 0 H TYR A 38 0.386 5.172 3.297 1.00 0.00 H new ATOM 0 HA TYR A 38 0.918 2.883 3.598 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.965 4.101 6.213 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.668 2.760 5.332 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.843 4.344 2.583 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.246 5.205 6.036 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.198 5.920 1.244 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.595 6.794 4.697 1.00 0.00 H new ATOM 0 HH TYR A 38 5.191 8.237 2.563 1.00 0.00 H new ATOM 585 N ASP A 39 -1.419 2.745 5.102 1.00 0.00 N ATOM 586 CA ASP A 39 -2.428 1.987 5.894 1.00 0.00 C ATOM 587 C ASP A 39 -2.774 0.706 5.150 1.00 0.00 C ATOM 588 O ASP A 39 -3.900 0.251 5.172 1.00 0.00 O ATOM 589 CB ASP A 39 -3.646 2.905 5.971 1.00 0.00 C ATOM 590 CG ASP A 39 -3.744 3.508 7.374 1.00 0.00 C ATOM 591 OD1 ASP A 39 -2.804 3.344 8.135 1.00 0.00 O ATOM 592 OD2 ASP A 39 -4.758 4.122 7.665 1.00 0.00 O ATOM 0 H ASP A 39 -1.802 3.302 4.338 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.072 1.713 6.887 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.564 3.698 5.228 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.552 2.345 5.741 1.00 0.00 H new ATOM 597 N ILE A 40 -1.817 0.126 4.474 1.00 0.00 N ATOM 598 CA ILE A 40 -2.131 -1.119 3.721 1.00 0.00 C ATOM 599 C ILE A 40 -2.916 -2.050 4.618 1.00 0.00 C ATOM 600 O ILE A 40 -4.106 -2.119 4.520 1.00 0.00 O ATOM 601 CB ILE A 40 -0.820 -1.820 3.292 1.00 0.00 C ATOM 602 CG1 ILE A 40 0.424 -1.066 3.772 1.00 0.00 C ATOM 603 CG2 ILE A 40 -0.783 -1.938 1.763 1.00 0.00 C ATOM 604 CD1 ILE A 40 1.664 -1.918 3.497 1.00 0.00 C ATOM 0 H ILE A 40 -0.853 0.453 4.412 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.713 -0.868 2.834 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.807 -2.807 3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.505 -0.108 3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.345 -0.850 4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.140 -2.432 1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.637 -2.523 1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.825 -0.943 1.320 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.553 -1.387 3.836 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.581 -2.865 4.031 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.743 -2.111 2.427 1.00 0.00 H new ATOM 616 N GLY A 41 -2.248 -2.763 5.481 1.00 0.00 N ATOM 617 CA GLY A 41 -2.938 -3.737 6.394 1.00 0.00 C ATOM 618 C GLY A 41 -4.429 -3.425 6.527 1.00 0.00 C ATOM 619 O GLY A 41 -5.269 -4.287 6.357 1.00 0.00 O ATOM 0 H GLY A 41 -1.236 -2.716 5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.810 -4.749 6.010 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.470 -3.708 7.378 1.00 0.00 H new ATOM 623 N ALA A 42 -4.769 -2.205 6.810 1.00 0.00 N ATOM 624 CA ALA A 42 -6.203 -1.849 6.927 1.00 0.00 C ATOM 625 C ALA A 42 -6.875 -1.963 5.560 1.00 0.00 C ATOM 626 O ALA A 42 -7.849 -2.671 5.397 1.00 0.00 O ATOM 627 CB ALA A 42 -6.203 -0.402 7.427 1.00 0.00 C ATOM 0 H ALA A 42 -4.115 -1.438 6.966 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.753 -2.506 7.601 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.230 -0.057 7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.693 -0.349 8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.686 0.232 6.707 1.00 0.00 H new ATOM 633 N ALA A 43 -6.352 -1.302 4.567 1.00 0.00 N ATOM 634 CA ALA A 43 -6.954 -1.414 3.213 1.00 0.00 C ATOM 635 C ALA A 43 -6.393 -2.652 2.531 1.00 0.00 C ATOM 636 O ALA A 43 -6.940 -3.136 1.564 1.00 0.00 O ATOM 637 CB ALA A 43 -6.536 -0.142 2.474 1.00 0.00 C ATOM 0 H ALA A 43 -5.537 -0.692 4.634 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.040 -1.510 3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.946 -0.156 1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.915 0.730 3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.448 -0.092 2.423 1.00 0.00 H new ATOM 643 N LEU A 44 -5.322 -3.190 3.051 1.00 0.00 N ATOM 644 CA LEU A 44 -4.752 -4.406 2.454 1.00 0.00 C ATOM 645 C LEU A 44 -5.763 -5.509 2.629 1.00 0.00 C ATOM 646 O LEU A 44 -5.848 -6.430 1.843 1.00 0.00 O ATOM 647 CB LEU A 44 -3.483 -4.708 3.216 1.00 0.00 C ATOM 648 CG LEU A 44 -2.828 -5.918 2.572 1.00 0.00 C ATOM 649 CD1 LEU A 44 -1.357 -5.991 2.962 1.00 0.00 C ATOM 650 CD2 LEU A 44 -3.553 -7.183 3.026 1.00 0.00 C ATOM 0 H LEU A 44 -4.825 -2.830 3.866 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.526 -4.298 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.810 -3.851 3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.706 -4.907 4.264 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.894 -5.829 1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.899 -6.863 2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.846 -5.089 2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.272 -6.074 4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.087 -8.054 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.491 -7.268 4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.599 -7.131 2.725 1.00 0.00 H new ATOM 662 N ASP A 45 -6.584 -5.385 3.629 1.00 0.00 N ATOM 663 CA ASP A 45 -7.639 -6.391 3.812 1.00 0.00 C ATOM 664 C ASP A 45 -8.371 -6.494 2.477 1.00 0.00 C ATOM 665 O ASP A 45 -8.920 -7.516 2.119 1.00 0.00 O ATOM 666 CB ASP A 45 -8.505 -5.834 4.964 1.00 0.00 C ATOM 667 CG ASP A 45 -9.796 -5.208 4.422 1.00 0.00 C ATOM 668 OD1 ASP A 45 -10.538 -5.912 3.757 1.00 0.00 O ATOM 669 OD2 ASP A 45 -10.019 -4.037 4.681 1.00 0.00 O ATOM 0 H ASP A 45 -6.565 -4.634 4.319 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.308 -7.396 4.073 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.749 -6.635 5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.940 -5.087 5.522 1.00 0.00 H new ATOM 674 N THR A 46 -8.315 -5.434 1.718 1.00 0.00 N ATOM 675 CA THR A 46 -8.924 -5.434 0.376 1.00 0.00 C ATOM 676 C THR A 46 -7.861 -5.868 -0.625 1.00 0.00 C ATOM 677 O THR A 46 -8.151 -6.421 -1.668 1.00 0.00 O ATOM 678 CB THR A 46 -9.369 -3.974 0.130 1.00 0.00 C ATOM 679 OG1 THR A 46 -10.571 -3.974 -0.627 1.00 0.00 O ATOM 680 CG2 THR A 46 -8.283 -3.184 -0.635 1.00 0.00 C ATOM 0 H THR A 46 -7.864 -4.559 1.983 1.00 0.00 H new ATOM 0 HA THR A 46 -9.771 -6.113 0.279 1.00 0.00 H new ATOM 0 HB THR A 46 -9.529 -3.493 1.095 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.859 -3.050 -0.784 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.622 -2.160 -0.795 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.362 -3.174 -0.052 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.098 -3.659 -1.598 1.00 0.00 H new ATOM 688 N ILE A 47 -6.624 -5.608 -0.307 1.00 0.00 N ATOM 689 CA ILE A 47 -5.536 -5.981 -1.214 1.00 0.00 C ATOM 690 C ILE A 47 -5.159 -7.448 -1.008 1.00 0.00 C ATOM 691 O ILE A 47 -4.406 -8.017 -1.771 1.00 0.00 O ATOM 692 CB ILE A 47 -4.406 -5.054 -0.861 1.00 0.00 C ATOM 693 CG1 ILE A 47 -4.939 -3.636 -0.775 1.00 0.00 C ATOM 694 CG2 ILE A 47 -3.393 -5.107 -1.976 1.00 0.00 C ATOM 695 CD1 ILE A 47 -5.724 -3.307 -2.048 1.00 0.00 C ATOM 0 H ILE A 47 -6.330 -5.148 0.555 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.808 -5.887 -2.265 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.960 -5.347 0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.582 -3.530 0.099 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.115 -2.933 -0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.561 -4.442 -1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.023 -6.127 -2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.861 -4.791 -2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.107 -2.288 -1.986 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.067 -3.396 -2.914 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.557 -4.002 -2.152 1.00 0.00 H new ATOM 707 N GLN A 48 -5.690 -8.092 0.003 1.00 0.00 N ATOM 708 CA GLN A 48 -5.371 -9.522 0.171 1.00 0.00 C ATOM 709 C GLN A 48 -6.439 -10.334 -0.560 1.00 0.00 C ATOM 710 O GLN A 48 -6.262 -11.498 -0.863 1.00 0.00 O ATOM 711 CB GLN A 48 -5.390 -9.810 1.661 1.00 0.00 C ATOM 712 CG GLN A 48 -5.317 -11.323 1.887 1.00 0.00 C ATOM 713 CD GLN A 48 -3.866 -11.803 1.737 1.00 0.00 C ATOM 714 OE1 GLN A 48 -3.327 -11.907 0.545 1.00 0.00 O flip ATOM 715 NE2 GLN A 48 -3.211 -12.088 2.720 1.00 0.00 N flip ATOM 0 H GLN A 48 -6.317 -7.690 0.700 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.395 -9.783 -0.238 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.549 -9.317 2.149 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.299 -9.408 2.109 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.690 -11.570 2.881 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.956 -11.838 1.170 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.625 -12.009 3.649 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.247 -12.406 2.616 1.00 0.00 H new ATOM 724 N TYR A 49 -7.545 -9.706 -0.862 1.00 0.00 N ATOM 725 CA TYR A 49 -8.633 -10.411 -1.591 1.00 0.00 C ATOM 726 C TYR A 49 -8.909 -11.772 -0.947 1.00 0.00 C ATOM 727 O TYR A 49 -8.763 -12.805 -1.569 1.00 0.00 O ATOM 728 CB TYR A 49 -8.086 -10.581 -3.005 1.00 0.00 C ATOM 729 CG TYR A 49 -7.642 -9.240 -3.541 1.00 0.00 C ATOM 730 CD1 TYR A 49 -6.355 -8.772 -3.257 1.00 0.00 C ATOM 731 CD2 TYR A 49 -8.514 -8.464 -4.313 1.00 0.00 C ATOM 732 CE1 TYR A 49 -5.935 -7.526 -3.745 1.00 0.00 C ATOM 733 CE2 TYR A 49 -8.096 -7.220 -4.801 1.00 0.00 C ATOM 734 CZ TYR A 49 -6.807 -6.751 -4.517 1.00 0.00 C ATOM 735 OH TYR A 49 -6.397 -5.525 -4.998 1.00 0.00 O ATOM 0 H TYR A 49 -7.740 -8.731 -0.633 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.576 -9.865 -1.574 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.248 -11.278 -3.000 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.851 -11.008 -3.653 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.683 -9.371 -2.661 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.508 -8.824 -4.532 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.941 -7.166 -3.525 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.768 -6.621 -5.397 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.122 -5.117 -5.516 1.00 0.00 H new ATOM 745 N SER A 50 -9.306 -11.778 0.295 1.00 0.00 N ATOM 746 CA SER A 50 -9.591 -13.070 0.981 1.00 0.00 C ATOM 747 C SER A 50 -10.218 -12.808 2.353 1.00 0.00 C ATOM 748 O SER A 50 -9.859 -13.422 3.337 1.00 0.00 O ATOM 749 CB SER A 50 -8.230 -13.746 1.133 1.00 0.00 C ATOM 750 OG SER A 50 -8.365 -15.137 0.878 1.00 0.00 O ATOM 0 H SER A 50 -9.446 -10.944 0.865 1.00 0.00 H new ATOM 0 HA SER A 50 -10.292 -13.691 0.423 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.513 -13.306 0.440 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.842 -13.585 2.139 1.00 0.00 H new ATOM 0 HG SER A 50 -7.493 -15.573 0.973 1.00 0.00 H new ATOM 756 N LYS A 51 -11.151 -11.897 2.422 1.00 0.00 N ATOM 757 CA LYS A 51 -11.802 -11.590 3.729 1.00 0.00 C ATOM 758 C LYS A 51 -10.748 -11.191 4.766 1.00 0.00 C ATOM 759 O LYS A 51 -9.585 -11.515 4.639 1.00 0.00 O ATOM 760 CB LYS A 51 -12.501 -12.884 4.137 1.00 0.00 C ATOM 761 CG LYS A 51 -13.697 -13.126 3.216 1.00 0.00 C ATOM 762 CD LYS A 51 -13.356 -14.236 2.222 1.00 0.00 C ATOM 763 CE LYS A 51 -14.184 -15.482 2.548 1.00 0.00 C ATOM 764 NZ LYS A 51 -13.527 -16.074 3.747 1.00 0.00 N ATOM 0 H LYS A 51 -11.491 -11.352 1.630 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.502 -10.757 3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.806 -13.721 4.076 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.833 -12.820 5.173 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.572 -13.405 3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.950 -12.210 2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.563 -13.904 1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.292 -14.469 2.271 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.223 -15.224 2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.189 -16.183 1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.926 -17.016 3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.505 -16.159 3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.691 -15.461 4.571 1.00 0.00 H new ATOM 778 N HIS A 52 -11.146 -10.489 5.790 1.00 0.00 N ATOM 779 CA HIS A 52 -10.165 -10.070 6.832 1.00 0.00 C ATOM 780 C HIS A 52 -9.004 -9.308 6.186 1.00 0.00 C ATOM 781 O HIS A 52 -7.946 -9.257 6.791 1.00 0.00 O ATOM 782 CB HIS A 52 -9.669 -11.375 7.455 1.00 0.00 C ATOM 783 CG HIS A 52 -10.763 -11.981 8.289 1.00 0.00 C ATOM 784 ND1 HIS A 52 -10.982 -11.607 9.605 1.00 0.00 N ATOM 785 CD2 HIS A 52 -11.709 -12.936 8.008 1.00 0.00 C ATOM 786 CE1 HIS A 52 -12.021 -12.329 10.065 1.00 0.00 C ATOM 787 NE2 HIS A 52 -12.502 -13.154 9.130 1.00 0.00 N ATOM 788 OXT HIS A 52 -9.194 -8.789 5.099 1.00 0.00 O ATOM 0 H HIS A 52 -12.107 -10.187 5.951 1.00 0.00 H new ATOM 0 HA HIS A 52 -10.607 -9.406 7.575 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -9.365 -12.071 6.673 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -8.790 -11.185 8.071 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -11.820 -13.441 7.060 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -12.417 -12.251 11.067 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -13.283 -13.804 9.220 1.00 0.00 H new TER 796 HIS A 52