USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 934 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 97 HIS : no HD1:sc= 0.439 K(o=0.57,f=-4.9!) USER MOD Set 1.2: A 99 SER OG : rot 86:sc= 0.126 USER MOD Set 2.1: A 50 ASN : amide:sc= 0.0527 K(o=0.32,f=-0.81) USER MOD Set 2.2: A 82 SER OG : rot 180:sc= 0.27 USER MOD Set 3.1: A 30 LYS NZ :NH3+ -164:sc= 0.0645 (180deg=-0.212) USER MOD Set 3.2: A 34 HIS : no HE2:sc= 0.174 K(o=0.24,f=-3.8) USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.0833 (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 80:sc= 0.814 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 143:sc= 1.26 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 92:sc= 0.0969 USER MOD Single : A 31 MET CE :methyl 164:sc= -1.49 (180deg=-1.6) USER MOD Single : A 33 GLN : amide:sc= -0.0427 X(o=-0.043,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0.814 K(o=0.81,f=-4.6!) USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= 0.179 (180deg=0.0797) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 106:sc= 1.19 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0.686 K(o=0.69,f=-6.2!) USER MOD Single : A 68 GLN : amide:sc= 0.79 K(o=0.79,f=-5.9!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00568 USER MOD Single : A 74 SER OG : rot 87:sc= 0.53 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 170:sc= 0.762 (180deg=0.651) USER MOD Single : A 86 ASN : amide:sc= 0.661 K(o=0.66,f=-1.4) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 101:sc= 1.25 USER MOD Single : A 102 GLN : amide:sc= -0.0269 K(o=-0.027,f=-3.3!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 107 THR OG1 : rot 2:sc= 0.847 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.234 0.176 -23.322 1.00 0.00 N ATOM 2 CA GLY A 1 -0.454 0.574 -22.142 1.00 0.00 C ATOM 3 C GLY A 1 -0.085 2.046 -22.233 1.00 0.00 C ATOM 4 O GLY A 1 -0.835 2.810 -22.846 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.030 -0.425 -23.026 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.600 1.025 -23.799 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.625 -0.354 -23.978 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.032 0.391 -21.236 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.449 -0.032 -22.072 1.00 0.00 H new ATOM 8 N SER A 2 1.049 2.445 -21.639 1.00 0.00 N ATOM 9 CA SER A 2 1.551 3.818 -21.542 1.00 0.00 C ATOM 10 C SER A 2 0.603 4.731 -20.748 1.00 0.00 C ATOM 11 O SER A 2 -0.570 4.888 -21.095 1.00 0.00 O ATOM 12 CB SER A 2 1.884 4.369 -22.944 1.00 0.00 C ATOM 13 OG SER A 2 3.277 4.351 -23.176 1.00 0.00 O ATOM 0 H SER A 2 1.675 1.777 -21.188 1.00 0.00 H new ATOM 0 HA SER A 2 2.479 3.801 -20.970 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.377 3.773 -23.703 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.509 5.388 -23.037 1.00 0.00 H new ATOM 0 HG SER A 2 3.464 4.703 -24.071 1.00 0.00 H new ATOM 19 N SER A 3 1.088 5.331 -19.660 1.00 0.00 N ATOM 20 CA SER A 3 0.345 6.270 -18.821 1.00 0.00 C ATOM 21 C SER A 3 1.284 7.405 -18.422 1.00 0.00 C ATOM 22 O SER A 3 2.272 7.164 -17.729 1.00 0.00 O ATOM 23 CB SER A 3 -0.193 5.565 -17.570 1.00 0.00 C ATOM 24 OG SER A 3 -1.148 4.564 -17.887 1.00 0.00 O ATOM 0 H SER A 3 2.039 5.171 -19.329 1.00 0.00 H new ATOM 0 HA SER A 3 -0.506 6.665 -19.376 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.636 5.114 -17.025 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.648 6.301 -16.907 1.00 0.00 H new ATOM 0 HG SER A 3 -1.463 4.139 -17.062 1.00 0.00 H new ATOM 30 N GLY A 4 1.002 8.625 -18.872 1.00 0.00 N ATOM 31 CA GLY A 4 1.659 9.831 -18.389 1.00 0.00 C ATOM 32 C GLY A 4 1.046 10.261 -17.057 1.00 0.00 C ATOM 33 O GLY A 4 0.289 9.499 -16.452 1.00 0.00 O ATOM 0 H GLY A 4 0.301 8.803 -19.592 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.727 9.649 -18.266 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.554 10.631 -19.122 1.00 0.00 H new ATOM 37 N SER A 5 1.358 11.487 -16.625 1.00 0.00 N ATOM 38 CA SER A 5 0.943 12.216 -15.416 1.00 0.00 C ATOM 39 C SER A 5 2.164 12.338 -14.508 1.00 0.00 C ATOM 40 O SER A 5 2.686 11.325 -14.027 1.00 0.00 O ATOM 41 CB SER A 5 -0.221 11.601 -14.617 1.00 0.00 C ATOM 42 OG SER A 5 -1.351 11.352 -15.434 1.00 0.00 O ATOM 0 H SER A 5 1.986 12.066 -17.183 1.00 0.00 H new ATOM 0 HA SER A 5 0.559 13.176 -15.760 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.107 10.669 -14.158 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.501 12.274 -13.807 1.00 0.00 H new ATOM 0 HG SER A 5 -1.217 10.520 -15.933 1.00 0.00 H new ATOM 48 N SER A 6 2.644 13.564 -14.304 1.00 0.00 N ATOM 49 CA SER A 6 3.765 13.844 -13.425 1.00 0.00 C ATOM 50 C SER A 6 3.690 15.270 -12.870 1.00 0.00 C ATOM 51 O SER A 6 2.816 16.055 -13.256 1.00 0.00 O ATOM 52 CB SER A 6 5.057 13.586 -14.206 1.00 0.00 C ATOM 53 OG SER A 6 5.186 14.414 -15.352 1.00 0.00 O ATOM 0 H SER A 6 2.258 14.395 -14.752 1.00 0.00 H new ATOM 0 HA SER A 6 3.739 13.187 -12.556 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.911 13.749 -13.549 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.086 12.541 -14.514 1.00 0.00 H new ATOM 0 HG SER A 6 6.027 14.209 -15.811 1.00 0.00 H new ATOM 59 N GLY A 7 4.629 15.620 -11.989 1.00 0.00 N ATOM 60 CA GLY A 7 4.714 16.944 -11.398 1.00 0.00 C ATOM 61 C GLY A 7 3.770 17.024 -10.210 1.00 0.00 C ATOM 62 O GLY A 7 2.686 17.594 -10.320 1.00 0.00 O ATOM 0 H GLY A 7 5.356 14.981 -11.667 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.736 17.148 -11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.453 17.702 -12.136 1.00 0.00 H new ATOM 66 N THR A 8 4.158 16.438 -9.083 1.00 0.00 N ATOM 67 CA THR A 8 3.474 16.538 -7.803 1.00 0.00 C ATOM 68 C THR A 8 4.540 16.299 -6.731 1.00 0.00 C ATOM 69 O THR A 8 5.375 15.401 -6.878 1.00 0.00 O ATOM 70 CB THR A 8 2.286 15.555 -7.733 1.00 0.00 C ATOM 71 OG1 THR A 8 1.740 15.623 -6.434 1.00 0.00 O ATOM 72 CG2 THR A 8 2.633 14.110 -8.115 1.00 0.00 C ATOM 0 H THR A 8 4.994 15.856 -9.037 1.00 0.00 H new ATOM 0 HA THR A 8 3.022 17.518 -7.650 1.00 0.00 H new ATOM 0 HB THR A 8 1.557 15.862 -8.483 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.981 15.007 -6.366 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.741 13.489 -8.038 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.006 14.084 -9.139 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.399 13.729 -7.440 1.00 0.00 H new ATOM 80 N VAL A 9 4.582 17.140 -5.695 1.00 0.00 N ATOM 81 CA VAL A 9 5.641 17.114 -4.690 1.00 0.00 C ATOM 82 C VAL A 9 5.111 17.575 -3.321 1.00 0.00 C ATOM 83 O VAL A 9 5.890 18.017 -2.472 1.00 0.00 O ATOM 84 CB VAL A 9 6.875 17.867 -5.257 1.00 0.00 C ATOM 85 CG1 VAL A 9 6.667 19.378 -5.419 1.00 0.00 C ATOM 86 CG2 VAL A 9 8.178 17.597 -4.490 1.00 0.00 C ATOM 0 H VAL A 9 3.878 17.860 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 9 5.988 16.102 -4.483 1.00 0.00 H new ATOM 0 HB VAL A 9 6.983 17.441 -6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.575 19.829 -5.820 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.838 19.560 -6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.440 19.820 -4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.992 18.159 -4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.060 17.908 -3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.407 16.532 -4.526 1.00 0.00 H new ATOM 96 N ALA A 10 3.795 17.505 -3.079 1.00 0.00 N ATOM 97 CA ALA A 10 3.147 18.065 -1.897 1.00 0.00 C ATOM 98 C ALA A 10 2.286 17.020 -1.181 1.00 0.00 C ATOM 99 O ALA A 10 1.489 16.326 -1.814 1.00 0.00 O ATOM 100 CB ALA A 10 2.315 19.276 -2.318 1.00 0.00 C ATOM 0 H ALA A 10 3.143 17.047 -3.716 1.00 0.00 H new ATOM 0 HA ALA A 10 3.910 18.380 -1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.826 19.703 -1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.965 20.024 -2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.560 18.965 -3.040 1.00 0.00 H new ATOM 106 N SER A 11 2.411 16.976 0.148 1.00 0.00 N ATOM 107 CA SER A 11 1.801 16.023 1.067 1.00 0.00 C ATOM 108 C SER A 11 1.161 16.746 2.255 1.00 0.00 C ATOM 109 O SER A 11 -0.046 16.616 2.463 1.00 0.00 O ATOM 110 CB SER A 11 2.875 15.025 1.537 1.00 0.00 C ATOM 111 OG SER A 11 3.027 13.976 0.606 1.00 0.00 O ATOM 0 H SER A 11 2.985 17.659 0.642 1.00 0.00 H new ATOM 0 HA SER A 11 1.007 15.480 0.554 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.826 15.542 1.667 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.598 14.617 2.509 1.00 0.00 H new ATOM 0 HG SER A 11 3.973 13.727 0.546 1.00 0.00 H new ATOM 117 N ARG A 12 1.956 17.515 3.007 1.00 0.00 N ATOM 118 CA ARG A 12 1.640 18.156 4.283 1.00 0.00 C ATOM 119 C ARG A 12 1.011 17.197 5.301 1.00 0.00 C ATOM 120 O ARG A 12 -0.206 17.015 5.347 1.00 0.00 O ATOM 121 CB ARG A 12 0.863 19.474 4.089 1.00 0.00 C ATOM 122 CG ARG A 12 1.577 20.650 4.770 1.00 0.00 C ATOM 123 CD ARG A 12 1.694 20.545 6.302 1.00 0.00 C ATOM 124 NE ARG A 12 3.090 20.542 6.766 1.00 0.00 N ATOM 125 CZ ARG A 12 3.962 21.546 6.611 1.00 0.00 C ATOM 126 NH1 ARG A 12 3.580 22.716 6.099 1.00 0.00 N ATOM 127 NH2 ARG A 12 5.238 21.387 6.950 1.00 0.00 N ATOM 0 H ARG A 12 2.911 17.720 2.714 1.00 0.00 H new ATOM 0 HA ARG A 12 2.589 18.440 4.738 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.753 19.680 3.024 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.142 19.370 4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.579 20.739 4.350 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.045 21.569 4.524 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.165 21.380 6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.202 19.632 6.638 1.00 0.00 H new ATOM 0 HE ARG A 12 3.421 19.705 7.246 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.610 22.857 5.818 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.258 23.470 5.988 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.557 20.496 7.331 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.897 22.156 6.829 1.00 0.00 H new ATOM 141 N LEU A 13 1.860 16.579 6.124 1.00 0.00 N ATOM 142 CA LEU A 13 1.435 15.909 7.351 1.00 0.00 C ATOM 143 C LEU A 13 1.178 16.963 8.430 1.00 0.00 C ATOM 144 O LEU A 13 1.784 18.034 8.394 1.00 0.00 O ATOM 145 CB LEU A 13 2.436 14.864 7.873 1.00 0.00 C ATOM 146 CG LEU A 13 3.912 15.287 7.877 1.00 0.00 C ATOM 147 CD1 LEU A 13 4.679 14.584 8.999 1.00 0.00 C ATOM 148 CD2 LEU A 13 4.526 14.878 6.540 1.00 0.00 C ATOM 0 H LEU A 13 2.865 16.530 5.956 1.00 0.00 H new ATOM 0 HA LEU A 13 0.525 15.359 7.110 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.153 14.596 8.891 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.339 13.963 7.267 1.00 0.00 H new ATOM 0 HG LEU A 13 3.974 16.364 8.033 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.722 14.900 8.981 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.238 14.845 9.961 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.625 13.505 8.856 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.576 15.168 6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.445 13.798 6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.995 15.376 5.728 1.00 0.00 H new ATOM 160 N SER A 14 0.352 16.635 9.423 1.00 0.00 N ATOM 161 CA SER A 14 0.100 17.435 10.613 1.00 0.00 C ATOM 162 C SER A 14 -0.115 16.524 11.824 1.00 0.00 C ATOM 163 O SER A 14 0.569 16.702 12.837 1.00 0.00 O ATOM 164 CB SER A 14 -1.100 18.381 10.384 1.00 0.00 C ATOM 165 OG SER A 14 -0.723 19.720 10.660 1.00 0.00 O ATOM 0 H SER A 14 -0.181 15.766 9.416 1.00 0.00 H new ATOM 0 HA SER A 14 0.971 18.058 10.817 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.448 18.298 9.354 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.931 18.089 11.026 1.00 0.00 H new ATOM 0 HG SER A 14 -1.489 20.313 10.511 1.00 0.00 H new ATOM 171 N ASP A 15 -1.033 15.555 11.736 1.00 0.00 N ATOM 172 CA ASP A 15 -1.460 14.744 12.885 1.00 0.00 C ATOM 173 C ASP A 15 -0.365 13.767 13.331 1.00 0.00 C ATOM 174 O ASP A 15 0.648 13.636 12.650 1.00 0.00 O ATOM 175 CB ASP A 15 -2.727 13.961 12.528 1.00 0.00 C ATOM 176 CG ASP A 15 -3.563 13.678 13.776 1.00 0.00 C ATOM 177 OD1 ASP A 15 -3.277 12.690 14.495 1.00 0.00 O ATOM 178 OD2 ASP A 15 -4.496 14.469 14.025 1.00 0.00 O ATOM 0 H ASP A 15 -1.503 15.309 10.865 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.662 15.425 13.712 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.319 14.528 11.809 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.455 13.022 12.047 1.00 0.00 H new ATOM 183 N THR A 16 -0.558 13.009 14.406 1.00 0.00 N ATOM 184 CA THR A 16 0.100 11.719 14.540 1.00 0.00 C ATOM 185 C THR A 16 -0.465 10.757 13.490 1.00 0.00 C ATOM 186 O THR A 16 0.282 10.279 12.639 1.00 0.00 O ATOM 187 CB THR A 16 -0.113 11.156 15.950 1.00 0.00 C ATOM 188 OG1 THR A 16 0.602 11.909 16.906 1.00 0.00 O ATOM 189 CG2 THR A 16 0.333 9.690 16.064 1.00 0.00 C ATOM 0 H THR A 16 -1.159 13.265 15.189 1.00 0.00 H new ATOM 0 HA THR A 16 1.172 11.840 14.381 1.00 0.00 H new ATOM 0 HB THR A 16 -1.184 11.217 16.143 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.450 11.533 17.798 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.163 9.336 17.081 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.241 9.080 15.366 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.394 9.613 15.826 1.00 0.00 H new ATOM 197 N LYS A 17 -1.752 10.399 13.593 1.00 0.00 N ATOM 198 CA LYS A 17 -2.259 9.216 12.902 1.00 0.00 C ATOM 199 C LYS A 17 -2.234 9.480 11.410 1.00 0.00 C ATOM 200 O LYS A 17 -1.561 8.755 10.679 1.00 0.00 O ATOM 201 CB LYS A 17 -3.655 8.843 13.418 1.00 0.00 C ATOM 202 CG LYS A 17 -4.189 7.575 12.735 1.00 0.00 C ATOM 203 CD LYS A 17 -5.380 7.010 13.513 1.00 0.00 C ATOM 204 CE LYS A 17 -5.947 5.776 12.803 1.00 0.00 C ATOM 205 NZ LYS A 17 -6.769 4.950 13.712 1.00 0.00 N ATOM 0 H LYS A 17 -2.448 10.905 14.140 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.624 8.354 13.106 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.616 8.687 14.496 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.342 9.670 13.240 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.490 7.804 11.713 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.399 6.827 12.674 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.069 6.745 14.524 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.155 7.771 13.607 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.551 6.091 11.952 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.128 5.176 12.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.135 4.125 13.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.186 4.628 14.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.565 5.515 14.070 1.00 0.00 H new ATOM 219 N ALA A 18 -2.817 10.601 10.984 1.00 0.00 N ATOM 220 CA ALA A 18 -2.764 10.984 9.592 1.00 0.00 C ATOM 221 C ALA A 18 -1.335 11.190 9.077 1.00 0.00 C ATOM 222 O ALA A 18 -1.142 11.003 7.881 1.00 0.00 O ATOM 223 CB ALA A 18 -3.659 12.198 9.329 1.00 0.00 C ATOM 0 H ALA A 18 -3.325 11.249 11.586 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.157 10.147 9.016 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.604 12.469 8.275 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.689 11.953 9.587 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.322 13.037 9.938 1.00 0.00 H new ATOM 229 N ALA A 19 -0.331 11.525 9.904 1.00 0.00 N ATOM 230 CA ALA A 19 1.056 11.557 9.430 1.00 0.00 C ATOM 231 C ALA A 19 1.590 10.161 9.127 1.00 0.00 C ATOM 232 O ALA A 19 2.468 10.040 8.279 1.00 0.00 O ATOM 233 CB ALA A 19 2.003 12.227 10.423 1.00 0.00 C ATOM 0 H ALA A 19 -0.453 11.773 10.886 1.00 0.00 H new ATOM 0 HA ALA A 19 1.027 12.146 8.514 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.016 12.222 10.020 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.685 13.256 10.592 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.986 11.682 11.367 1.00 0.00 H new ATOM 239 N GLY A 20 1.086 9.120 9.792 1.00 0.00 N ATOM 240 CA GLY A 20 1.398 7.740 9.470 1.00 0.00 C ATOM 241 C GLY A 20 1.019 7.468 8.020 1.00 0.00 C ATOM 242 O GLY A 20 1.882 7.118 7.213 1.00 0.00 O ATOM 0 H GLY A 20 0.443 9.220 10.577 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.460 7.549 9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.854 7.067 10.133 1.00 0.00 H new ATOM 246 N GLU A 21 -0.252 7.677 7.679 1.00 0.00 N ATOM 247 CA GLU A 21 -0.750 7.530 6.315 1.00 0.00 C ATOM 248 C GLU A 21 0.019 8.434 5.349 1.00 0.00 C ATOM 249 O GLU A 21 0.495 7.947 4.327 1.00 0.00 O ATOM 250 CB GLU A 21 -2.244 7.849 6.234 1.00 0.00 C ATOM 251 CG GLU A 21 -3.144 6.772 6.854 1.00 0.00 C ATOM 252 CD GLU A 21 -3.266 6.917 8.367 1.00 0.00 C ATOM 253 OE1 GLU A 21 -4.009 7.834 8.796 1.00 0.00 O ATOM 254 OE2 GLU A 21 -2.613 6.131 9.087 1.00 0.00 O ATOM 0 H GLU A 21 -0.970 7.955 8.348 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.597 6.490 6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.431 8.798 6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.521 7.982 5.188 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.136 6.829 6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.743 5.787 6.617 1.00 0.00 H new ATOM 261 N VAL A 22 0.165 9.728 5.658 1.00 0.00 N ATOM 262 CA VAL A 22 0.824 10.686 4.774 1.00 0.00 C ATOM 263 C VAL A 22 2.261 10.248 4.494 1.00 0.00 C ATOM 264 O VAL A 22 2.642 10.227 3.332 1.00 0.00 O ATOM 265 CB VAL A 22 0.742 12.119 5.341 1.00 0.00 C ATOM 266 CG1 VAL A 22 1.614 13.115 4.563 1.00 0.00 C ATOM 267 CG2 VAL A 22 -0.694 12.660 5.287 1.00 0.00 C ATOM 0 H VAL A 22 -0.172 10.137 6.530 1.00 0.00 H new ATOM 0 HA VAL A 22 0.297 10.703 3.820 1.00 0.00 H new ATOM 0 HB VAL A 22 1.097 12.037 6.368 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.517 14.106 5.006 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.656 12.798 4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.289 13.149 3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.717 13.671 5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.038 12.677 4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.348 12.017 5.876 1.00 0.00 H new ATOM 277 N LYS A 23 3.063 9.874 5.502 1.00 0.00 N ATOM 278 CA LYS A 23 4.434 9.395 5.298 1.00 0.00 C ATOM 279 C LYS A 23 4.416 8.241 4.309 1.00 0.00 C ATOM 280 O LYS A 23 5.119 8.261 3.307 1.00 0.00 O ATOM 281 CB LYS A 23 5.044 8.971 6.650 1.00 0.00 C ATOM 282 CG LYS A 23 6.524 8.550 6.585 1.00 0.00 C ATOM 283 CD LYS A 23 6.804 7.178 5.945 1.00 0.00 C ATOM 284 CE LYS A 23 8.018 6.454 6.545 1.00 0.00 C ATOM 285 NZ LYS A 23 7.661 5.636 7.725 1.00 0.00 N ATOM 0 H LYS A 23 2.777 9.896 6.481 1.00 0.00 H new ATOM 0 HA LYS A 23 5.055 10.191 4.887 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.946 9.799 7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.462 8.142 7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.074 9.309 6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.926 8.546 7.598 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.923 6.547 6.059 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.964 7.312 4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.468 5.814 5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.771 7.189 6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.513 5.168 8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.256 6.248 8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.962 4.916 7.450 1.00 0.00 H new ATOM 299 N ALA A 24 3.629 7.223 4.622 1.00 0.00 N ATOM 300 CA ALA A 24 3.469 5.995 3.900 1.00 0.00 C ATOM 301 C ALA A 24 2.972 6.217 2.466 1.00 0.00 C ATOM 302 O ALA A 24 3.283 5.387 1.616 1.00 0.00 O ATOM 303 CB ALA A 24 2.484 5.192 4.753 1.00 0.00 C ATOM 0 H ALA A 24 3.044 7.249 5.457 1.00 0.00 H new ATOM 0 HA ALA A 24 4.413 5.469 3.761 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.296 4.228 4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.907 5.034 5.745 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.547 5.742 4.842 1.00 0.00 H new ATOM 309 N LEU A 25 2.227 7.292 2.187 1.00 0.00 N ATOM 310 CA LEU A 25 1.823 7.702 0.843 1.00 0.00 C ATOM 311 C LEU A 25 2.973 8.442 0.146 1.00 0.00 C ATOM 312 O LEU A 25 3.265 8.158 -1.008 1.00 0.00 O ATOM 313 CB LEU A 25 0.600 8.626 0.946 1.00 0.00 C ATOM 314 CG LEU A 25 0.001 9.026 -0.415 1.00 0.00 C ATOM 315 CD1 LEU A 25 -1.288 8.291 -0.781 1.00 0.00 C ATOM 316 CD2 LEU A 25 -0.300 10.515 -0.336 1.00 0.00 C ATOM 0 H LEU A 25 1.880 7.918 2.914 1.00 0.00 H new ATOM 0 HA LEU A 25 1.570 6.818 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.169 8.129 1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.884 9.529 1.486 1.00 0.00 H new ATOM 0 HG LEU A 25 0.724 8.762 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.639 8.635 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.096 7.219 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.049 8.495 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.728 10.850 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.009 10.700 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.622 11.063 -0.141 1.00 0.00 H new ATOM 328 N ASP A 26 3.627 9.382 0.839 1.00 0.00 N ATOM 329 CA ASP A 26 4.745 10.203 0.351 1.00 0.00 C ATOM 330 C ASP A 26 5.842 9.294 -0.176 1.00 0.00 C ATOM 331 O ASP A 26 6.368 9.488 -1.271 1.00 0.00 O ATOM 332 CB ASP A 26 5.336 11.041 1.506 1.00 0.00 C ATOM 333 CG ASP A 26 5.989 12.363 1.105 1.00 0.00 C ATOM 334 OD1 ASP A 26 5.459 13.100 0.242 1.00 0.00 O ATOM 335 OD2 ASP A 26 6.930 12.779 1.819 1.00 0.00 O ATOM 0 H ASP A 26 3.379 9.603 1.804 1.00 0.00 H new ATOM 0 HA ASP A 26 4.376 10.862 -0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.540 11.253 2.220 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.078 10.435 2.026 1.00 0.00 H new ATOM 340 N ASP A 27 6.176 8.300 0.645 1.00 0.00 N ATOM 341 CA ASP A 27 7.287 7.393 0.448 1.00 0.00 C ATOM 342 C ASP A 27 6.962 6.426 -0.693 1.00 0.00 C ATOM 343 O ASP A 27 7.805 6.152 -1.548 1.00 0.00 O ATOM 344 CB ASP A 27 7.557 6.626 1.752 1.00 0.00 C ATOM 345 CG ASP A 27 9.009 6.177 1.871 1.00 0.00 C ATOM 346 OD1 ASP A 27 9.872 7.051 2.110 1.00 0.00 O ATOM 347 OD2 ASP A 27 9.305 4.958 1.888 1.00 0.00 O ATOM 0 H ASP A 27 5.653 8.103 1.499 1.00 0.00 H new ATOM 0 HA ASP A 27 8.182 7.955 0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.304 7.260 2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.905 5.754 1.799 1.00 0.00 H new ATOM 352 N PHE A 28 5.702 5.966 -0.727 1.00 0.00 N ATOM 353 CA PHE A 28 5.149 5.139 -1.788 1.00 0.00 C ATOM 354 C PHE A 28 5.244 5.875 -3.124 1.00 0.00 C ATOM 355 O PHE A 28 5.788 5.343 -4.088 1.00 0.00 O ATOM 356 CB PHE A 28 3.700 4.737 -1.463 1.00 0.00 C ATOM 357 CG PHE A 28 3.023 4.043 -2.622 1.00 0.00 C ATOM 358 CD1 PHE A 28 3.119 2.651 -2.769 1.00 0.00 C ATOM 359 CD2 PHE A 28 2.393 4.807 -3.619 1.00 0.00 C ATOM 360 CE1 PHE A 28 2.613 2.039 -3.928 1.00 0.00 C ATOM 361 CE2 PHE A 28 1.902 4.194 -4.778 1.00 0.00 C ATOM 362 CZ PHE A 28 2.020 2.809 -4.943 1.00 0.00 C ATOM 0 H PHE A 28 5.027 6.171 0.010 1.00 0.00 H new ATOM 0 HA PHE A 28 5.731 4.220 -1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.694 4.078 -0.595 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.131 5.626 -1.192 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.579 2.054 -1.996 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.287 5.874 -3.490 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.680 0.967 -4.040 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.432 4.790 -5.546 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.658 2.336 -5.844 1.00 0.00 H new ATOM 372 N TYR A 29 4.707 7.095 -3.191 1.00 0.00 N ATOM 373 CA TYR A 29 4.701 7.903 -4.405 1.00 0.00 C ATOM 374 C TYR A 29 6.100 8.160 -4.928 1.00 0.00 C ATOM 375 O TYR A 29 6.320 8.165 -6.134 1.00 0.00 O ATOM 376 CB TYR A 29 4.063 9.268 -4.126 1.00 0.00 C ATOM 377 CG TYR A 29 2.591 9.345 -4.413 1.00 0.00 C ATOM 378 CD1 TYR A 29 2.089 8.749 -5.581 1.00 0.00 C ATOM 379 CD2 TYR A 29 1.752 10.101 -3.579 1.00 0.00 C ATOM 380 CE1 TYR A 29 0.761 8.952 -5.950 1.00 0.00 C ATOM 381 CE2 TYR A 29 0.415 10.338 -3.959 1.00 0.00 C ATOM 382 CZ TYR A 29 -0.075 9.786 -5.171 1.00 0.00 C ATOM 383 OH TYR A 29 -1.338 10.065 -5.581 1.00 0.00 O ATOM 0 H TYR A 29 4.261 7.551 -2.395 1.00 0.00 H new ATOM 0 HA TYR A 29 4.134 7.341 -5.148 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.229 9.524 -3.080 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.575 10.022 -4.724 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.732 8.134 -6.193 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.130 10.500 -2.649 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.368 8.471 -6.834 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.231 10.935 -3.333 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.958 9.409 -5.199 1.00 0.00 H new ATOM 393 N LYS A 30 7.042 8.378 -4.017 1.00 0.00 N ATOM 394 CA LYS A 30 8.449 8.506 -4.361 1.00 0.00 C ATOM 395 C LYS A 30 8.850 7.315 -5.230 1.00 0.00 C ATOM 396 O LYS A 30 9.289 7.496 -6.365 1.00 0.00 O ATOM 397 CB LYS A 30 9.296 8.654 -3.084 1.00 0.00 C ATOM 398 CG LYS A 30 10.250 9.852 -3.176 1.00 0.00 C ATOM 399 CD LYS A 30 11.325 9.835 -2.078 1.00 0.00 C ATOM 400 CE LYS A 30 12.513 8.934 -2.435 1.00 0.00 C ATOM 401 NZ LYS A 30 13.307 9.463 -3.565 1.00 0.00 N ATOM 0 H LYS A 30 6.849 8.471 -3.020 1.00 0.00 H new ATOM 0 HA LYS A 30 8.630 9.409 -4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.639 8.776 -2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.870 7.742 -2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.733 9.853 -4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.676 10.776 -3.103 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.682 10.851 -1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.880 9.492 -1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.157 8.825 -1.562 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.147 7.939 -2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.918 8.711 -3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.666 9.797 -4.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.896 10.254 -3.235 1.00 0.00 H new ATOM 415 N MET A 31 8.663 6.093 -4.734 1.00 0.00 N ATOM 416 CA MET A 31 8.967 4.888 -5.496 1.00 0.00 C ATOM 417 C MET A 31 8.157 4.827 -6.788 1.00 0.00 C ATOM 418 O MET A 31 8.717 4.430 -7.800 1.00 0.00 O ATOM 419 CB MET A 31 8.633 3.659 -4.668 1.00 0.00 C ATOM 420 CG MET A 31 9.318 3.596 -3.319 1.00 0.00 C ATOM 421 SD MET A 31 10.788 2.553 -3.254 1.00 0.00 S ATOM 422 CE MET A 31 10.145 1.411 -2.014 1.00 0.00 C ATOM 0 H MET A 31 8.299 5.913 -3.798 1.00 0.00 H new ATOM 0 HA MET A 31 10.029 4.913 -5.741 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.555 3.624 -4.514 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.902 2.770 -5.238 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.596 4.607 -3.023 1.00 0.00 H new ATOM 0 HG3 MET A 31 8.602 3.233 -2.582 1.00 0.00 H new ATOM 0 HE1 MET A 31 10.753 0.507 -2.002 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.178 1.883 -1.032 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.115 1.152 -2.257 1.00 0.00 H new ATOM 432 N LEU A 32 6.878 5.235 -6.776 1.00 0.00 N ATOM 433 CA LEU A 32 5.983 5.211 -7.935 1.00 0.00 C ATOM 434 C LEU A 32 6.590 5.934 -9.148 1.00 0.00 C ATOM 435 O LEU A 32 6.239 5.627 -10.289 1.00 0.00 O ATOM 436 CB LEU A 32 4.615 5.816 -7.553 1.00 0.00 C ATOM 437 CG LEU A 32 3.495 5.478 -8.549 1.00 0.00 C ATOM 438 CD1 LEU A 32 3.052 4.028 -8.390 1.00 0.00 C ATOM 439 CD2 LEU A 32 2.264 6.353 -8.301 1.00 0.00 C ATOM 0 H LEU A 32 6.430 5.600 -5.936 1.00 0.00 H new ATOM 0 HA LEU A 32 5.841 4.171 -8.230 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.331 5.457 -6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.713 6.899 -7.482 1.00 0.00 H new ATOM 0 HG LEU A 32 3.895 5.652 -9.548 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.258 3.810 -9.105 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.899 3.367 -8.574 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.682 3.870 -7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.484 6.096 -9.018 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.896 6.185 -7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.534 7.402 -8.419 1.00 0.00 H new ATOM 451 N GLN A 33 7.488 6.886 -8.884 1.00 0.00 N ATOM 452 CA GLN A 33 8.263 7.626 -9.861 1.00 0.00 C ATOM 453 C GLN A 33 9.660 7.008 -10.059 1.00 0.00 C ATOM 454 O GLN A 33 10.093 6.805 -11.198 1.00 0.00 O ATOM 455 CB GLN A 33 8.379 9.078 -9.375 1.00 0.00 C ATOM 456 CG GLN A 33 7.038 9.803 -9.129 1.00 0.00 C ATOM 457 CD GLN A 33 6.323 10.206 -10.414 1.00 0.00 C ATOM 458 OE1 GLN A 33 5.168 9.852 -10.655 1.00 0.00 O ATOM 459 NE2 GLN A 33 6.982 11.009 -11.224 1.00 0.00 N ATOM 0 H GLN A 33 7.699 7.171 -7.928 1.00 0.00 H new ATOM 0 HA GLN A 33 7.760 7.588 -10.828 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.954 9.088 -8.449 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.950 9.645 -10.111 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.384 9.154 -8.546 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.220 10.694 -8.528 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.938 11.287 -11.001 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.537 11.353 -12.075 1.00 0.00 H new ATOM 468 N HIS A 34 10.417 6.772 -8.978 1.00 0.00 N ATOM 469 CA HIS A 34 11.814 6.338 -9.046 1.00 0.00 C ATOM 470 C HIS A 34 11.931 4.888 -9.518 1.00 0.00 C ATOM 471 O HIS A 34 12.507 4.626 -10.576 1.00 0.00 O ATOM 472 CB HIS A 34 12.526 6.526 -7.699 1.00 0.00 C ATOM 473 CG HIS A 34 12.717 7.973 -7.322 1.00 0.00 C ATOM 474 ND1 HIS A 34 13.593 8.865 -7.895 1.00 0.00 N ATOM 475 CD2 HIS A 34 12.072 8.631 -6.317 1.00 0.00 C ATOM 476 CE1 HIS A 34 13.456 10.045 -7.270 1.00 0.00 C ATOM 477 NE2 HIS A 34 12.526 9.951 -6.306 1.00 0.00 N ATOM 0 H HIS A 34 10.071 6.879 -8.025 1.00 0.00 H new ATOM 0 HA HIS A 34 12.309 6.971 -9.782 1.00 0.00 H new ATOM 0 HB2 HIS A 34 11.950 6.028 -6.919 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.499 6.037 -7.739 1.00 0.00 H new ATOM 0 HD1 HIS A 34 14.235 8.665 -8.662 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.339 8.206 -5.647 1.00 0.00 H new ATOM 0 HE1 HIS A 34 14.013 10.939 -7.508 1.00 0.00 H new ATOM 485 N GLU A 35 11.422 3.940 -8.731 1.00 0.00 N ATOM 486 CA GLU A 35 11.476 2.514 -9.016 1.00 0.00 C ATOM 487 C GLU A 35 10.079 1.938 -8.744 1.00 0.00 C ATOM 488 O GLU A 35 9.830 1.406 -7.657 1.00 0.00 O ATOM 489 CB GLU A 35 12.652 1.829 -8.278 1.00 0.00 C ATOM 490 CG GLU A 35 12.757 2.027 -6.749 1.00 0.00 C ATOM 491 CD GLU A 35 14.049 1.457 -6.136 1.00 0.00 C ATOM 492 OE1 GLU A 35 14.772 0.662 -6.775 1.00 0.00 O ATOM 493 OE2 GLU A 35 14.333 1.746 -4.947 1.00 0.00 O ATOM 0 H GLU A 35 10.948 4.154 -7.853 1.00 0.00 H new ATOM 0 HA GLU A 35 11.707 2.314 -10.062 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.592 0.758 -8.474 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.580 2.183 -8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.699 3.092 -6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.899 1.554 -6.271 1.00 0.00 H new ATOM 500 N PRO A 36 9.130 2.062 -9.698 1.00 0.00 N ATOM 501 CA PRO A 36 7.755 1.611 -9.499 1.00 0.00 C ATOM 502 C PRO A 36 7.671 0.093 -9.306 1.00 0.00 C ATOM 503 O PRO A 36 6.681 -0.401 -8.773 1.00 0.00 O ATOM 504 CB PRO A 36 6.968 2.094 -10.717 1.00 0.00 C ATOM 505 CG PRO A 36 8.031 2.255 -11.801 1.00 0.00 C ATOM 506 CD PRO A 36 9.269 2.680 -11.011 1.00 0.00 C ATOM 0 HA PRO A 36 7.333 2.026 -8.583 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.204 1.374 -11.010 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.458 3.036 -10.515 1.00 0.00 H new ATOM 0 HG2 PRO A 36 8.198 1.324 -12.343 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.745 3.006 -12.538 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.182 2.348 -11.505 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.328 3.765 -10.929 1.00 0.00 H new ATOM 514 N ASP A 37 8.739 -0.641 -9.626 1.00 0.00 N ATOM 515 CA ASP A 37 8.941 -2.042 -9.279 1.00 0.00 C ATOM 516 C ASP A 37 8.767 -2.295 -7.775 1.00 0.00 C ATOM 517 O ASP A 37 8.473 -3.424 -7.380 1.00 0.00 O ATOM 518 CB ASP A 37 10.355 -2.487 -9.684 1.00 0.00 C ATOM 519 CG ASP A 37 10.643 -2.383 -11.179 1.00 0.00 C ATOM 520 OD1 ASP A 37 10.772 -1.245 -11.696 1.00 0.00 O ATOM 521 OD2 ASP A 37 10.714 -3.446 -11.833 1.00 0.00 O ATOM 0 H ASP A 37 9.519 -0.254 -10.158 1.00 0.00 H new ATOM 0 HA ASP A 37 8.187 -2.614 -9.819 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.082 -1.882 -9.143 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.502 -3.520 -9.369 1.00 0.00 H new ATOM 526 N ARG A 38 8.945 -1.271 -6.921 1.00 0.00 N ATOM 527 CA ARG A 38 8.756 -1.347 -5.471 1.00 0.00 C ATOM 528 C ARG A 38 7.471 -0.639 -5.021 1.00 0.00 C ATOM 529 O ARG A 38 7.317 -0.379 -3.824 1.00 0.00 O ATOM 530 CB ARG A 38 10.003 -0.842 -4.709 1.00 0.00 C ATOM 531 CG ARG A 38 11.209 -1.770 -4.960 1.00 0.00 C ATOM 532 CD ARG A 38 12.543 -1.336 -4.340 1.00 0.00 C ATOM 533 NE ARG A 38 12.596 -1.362 -2.868 1.00 0.00 N ATOM 534 CZ ARG A 38 13.149 -0.437 -2.070 1.00 0.00 C ATOM 535 NH1 ARG A 38 13.503 0.756 -2.527 1.00 0.00 N ATOM 536 NH2 ARG A 38 13.335 -0.707 -0.783 1.00 0.00 N ATOM 0 H ARG A 38 9.232 -0.344 -7.235 1.00 0.00 H new ATOM 0 HA ARG A 38 8.633 -2.399 -5.215 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.245 0.171 -5.029 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.789 -0.797 -3.641 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.962 -2.761 -4.580 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.348 -1.866 -6.037 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.331 -1.983 -4.726 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.768 -0.324 -4.677 1.00 0.00 H new ATOM 0 HE ARG A 38 12.168 -2.166 -2.409 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.357 0.990 -3.509 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.922 1.440 -1.897 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.058 -1.614 -0.407 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.755 -0.008 -0.171 1.00 0.00 H new ATOM 550 N ALA A 39 6.544 -0.296 -5.921 1.00 0.00 N ATOM 551 CA ALA A 39 5.346 0.475 -5.607 1.00 0.00 C ATOM 552 C ALA A 39 4.123 -0.119 -6.303 1.00 0.00 C ATOM 553 O ALA A 39 3.797 0.231 -7.434 1.00 0.00 O ATOM 554 CB ALA A 39 5.593 1.943 -5.976 1.00 0.00 C ATOM 0 H ALA A 39 6.610 -0.553 -6.906 1.00 0.00 H new ATOM 0 HA ALA A 39 5.133 0.428 -4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.704 2.530 -5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.438 2.325 -5.404 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.812 2.019 -7.041 1.00 0.00 H new ATOM 560 N PHE A 40 3.441 -1.032 -5.612 1.00 0.00 N ATOM 561 CA PHE A 40 2.305 -1.769 -6.152 1.00 0.00 C ATOM 562 C PHE A 40 1.013 -1.043 -5.784 1.00 0.00 C ATOM 563 O PHE A 40 0.856 -0.611 -4.640 1.00 0.00 O ATOM 564 CB PHE A 40 2.301 -3.183 -5.552 1.00 0.00 C ATOM 565 CG PHE A 40 3.065 -4.212 -6.361 1.00 0.00 C ATOM 566 CD1 PHE A 40 4.130 -3.846 -7.205 1.00 0.00 C ATOM 567 CD2 PHE A 40 2.651 -5.554 -6.312 1.00 0.00 C ATOM 568 CE1 PHE A 40 4.714 -4.805 -8.043 1.00 0.00 C ATOM 569 CE2 PHE A 40 3.241 -6.524 -7.143 1.00 0.00 C ATOM 570 CZ PHE A 40 4.261 -6.137 -8.026 1.00 0.00 C ATOM 0 H PHE A 40 3.667 -1.282 -4.649 1.00 0.00 H new ATOM 0 HA PHE A 40 2.380 -1.834 -7.237 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.726 -3.140 -4.549 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.269 -3.516 -5.446 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.496 -2.830 -7.207 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.869 -5.845 -5.627 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.517 -4.520 -8.706 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.913 -7.552 -7.102 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.699 -6.864 -8.694 1.00 0.00 H new ATOM 580 N TYR A 41 0.058 -0.953 -6.709 1.00 0.00 N ATOM 581 CA TYR A 41 -1.279 -0.447 -6.435 1.00 0.00 C ATOM 582 C TYR A 41 -2.337 -1.267 -7.152 1.00 0.00 C ATOM 583 O TYR A 41 -2.080 -1.903 -8.175 1.00 0.00 O ATOM 584 CB TYR A 41 -1.413 1.030 -6.815 1.00 0.00 C ATOM 585 CG TYR A 41 -1.527 1.271 -8.305 1.00 0.00 C ATOM 586 CD1 TYR A 41 -0.410 1.124 -9.145 1.00 0.00 C ATOM 587 CD2 TYR A 41 -2.786 1.560 -8.860 1.00 0.00 C ATOM 588 CE1 TYR A 41 -0.569 1.226 -10.535 1.00 0.00 C ATOM 589 CE2 TYR A 41 -2.941 1.713 -10.243 1.00 0.00 C ATOM 590 CZ TYR A 41 -1.834 1.499 -11.093 1.00 0.00 C ATOM 591 OH TYR A 41 -1.977 1.590 -12.445 1.00 0.00 O ATOM 0 H TYR A 41 0.196 -1.234 -7.680 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.438 -0.538 -5.360 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.292 1.444 -6.321 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.548 1.573 -6.434 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.566 0.934 -8.723 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.644 1.665 -8.212 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.285 1.094 -11.183 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.899 1.992 -10.656 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.913 1.782 -12.663 1.00 0.00 H new ATOM 601 N GLY A 42 -3.566 -1.193 -6.653 1.00 0.00 N ATOM 602 CA GLY A 42 -4.637 -2.032 -7.140 1.00 0.00 C ATOM 603 C GLY A 42 -4.554 -3.406 -6.531 1.00 0.00 C ATOM 604 O GLY A 42 -3.482 -4.011 -6.497 1.00 0.00 O ATOM 0 H GLY A 42 -3.839 -0.554 -5.907 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.599 -1.579 -6.899 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.583 -2.106 -8.226 1.00 0.00 H new ATOM 608 N LEU A 43 -5.711 -3.899 -6.089 1.00 0.00 N ATOM 609 CA LEU A 43 -5.846 -5.142 -5.340 1.00 0.00 C ATOM 610 C LEU A 43 -4.996 -6.251 -5.967 1.00 0.00 C ATOM 611 O LEU A 43 -4.213 -6.873 -5.267 1.00 0.00 O ATOM 612 CB LEU A 43 -7.336 -5.525 -5.250 1.00 0.00 C ATOM 613 CG LEU A 43 -7.587 -6.846 -4.499 1.00 0.00 C ATOM 614 CD1 LEU A 43 -7.415 -6.700 -2.985 1.00 0.00 C ATOM 615 CD2 LEU A 43 -9.001 -7.358 -4.770 1.00 0.00 C ATOM 0 H LEU A 43 -6.603 -3.430 -6.248 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.472 -5.002 -4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.879 -4.723 -4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.744 -5.606 -6.258 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.844 -7.552 -4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.603 -7.659 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.398 -6.376 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.121 -5.960 -2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.159 -8.292 -4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.727 -6.617 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.127 -7.530 -5.839 1.00 0.00 H new ATOM 627 N LYS A 44 -5.073 -6.443 -7.285 1.00 0.00 N ATOM 628 CA LYS A 44 -4.418 -7.520 -8.001 1.00 0.00 C ATOM 629 C LYS A 44 -2.899 -7.453 -7.840 1.00 0.00 C ATOM 630 O LYS A 44 -2.267 -8.499 -7.672 1.00 0.00 O ATOM 631 CB LYS A 44 -4.898 -7.440 -9.463 1.00 0.00 C ATOM 632 CG LYS A 44 -3.892 -8.027 -10.442 1.00 0.00 C ATOM 633 CD LYS A 44 -4.384 -8.019 -11.889 1.00 0.00 C ATOM 634 CE LYS A 44 -4.488 -6.607 -12.476 1.00 0.00 C ATOM 635 NZ LYS A 44 -4.716 -6.666 -13.932 1.00 0.00 N ATOM 0 H LYS A 44 -5.612 -5.829 -7.896 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.686 -8.495 -7.594 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.846 -7.970 -9.560 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.087 -6.399 -9.723 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.961 -7.463 -10.378 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.664 -9.052 -10.148 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.705 -8.612 -12.501 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.361 -8.500 -11.938 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.304 -6.067 -11.996 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.573 -6.052 -12.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.784 -5.700 -14.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.924 -7.163 -14.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.601 -7.177 -14.124 1.00 0.00 H new ATOM 649 N GLN A 45 -2.295 -6.263 -7.956 1.00 0.00 N ATOM 650 CA GLN A 45 -0.855 -6.127 -7.795 1.00 0.00 C ATOM 651 C GLN A 45 -0.527 -6.509 -6.357 1.00 0.00 C ATOM 652 O GLN A 45 0.223 -7.444 -6.108 1.00 0.00 O ATOM 653 CB GLN A 45 -0.351 -4.716 -8.131 1.00 0.00 C ATOM 654 CG GLN A 45 -0.522 -4.322 -9.608 1.00 0.00 C ATOM 655 CD GLN A 45 0.228 -3.028 -9.956 1.00 0.00 C ATOM 656 OE1 GLN A 45 0.734 -2.319 -9.090 1.00 0.00 O ATOM 657 NE2 GLN A 45 0.322 -2.687 -11.229 1.00 0.00 N ATOM 0 H GLN A 45 -2.783 -5.391 -8.159 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.344 -6.785 -8.498 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.882 -3.995 -7.510 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.704 -4.647 -7.868 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.160 -5.131 -10.242 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.582 -4.195 -9.828 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.099 -3.277 -11.947 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.815 -1.834 -11.493 1.00 0.00 H new ATOM 666 N VAL A 46 -1.111 -5.811 -5.392 1.00 0.00 N ATOM 667 CA VAL A 46 -0.857 -6.022 -3.979 1.00 0.00 C ATOM 668 C VAL A 46 -1.064 -7.493 -3.563 1.00 0.00 C ATOM 669 O VAL A 46 -0.260 -8.014 -2.796 1.00 0.00 O ATOM 670 CB VAL A 46 -1.708 -5.046 -3.151 1.00 0.00 C ATOM 671 CG1 VAL A 46 -1.157 -5.025 -1.733 1.00 0.00 C ATOM 672 CG2 VAL A 46 -1.683 -3.592 -3.658 1.00 0.00 C ATOM 0 H VAL A 46 -1.787 -5.069 -5.576 1.00 0.00 H new ATOM 0 HA VAL A 46 0.193 -5.811 -3.778 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.736 -5.402 -3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.745 -4.338 -1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.212 -6.026 -1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.118 -4.695 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.309 -2.972 -3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.660 -3.217 -3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.062 -3.556 -4.679 1.00 0.00 H new ATOM 682 N GLU A 47 -2.071 -8.195 -4.089 1.00 0.00 N ATOM 683 CA GLU A 47 -2.303 -9.615 -3.825 1.00 0.00 C ATOM 684 C GLU A 47 -1.081 -10.457 -4.233 1.00 0.00 C ATOM 685 O GLU A 47 -0.711 -11.394 -3.530 1.00 0.00 O ATOM 686 CB GLU A 47 -3.594 -10.076 -4.543 1.00 0.00 C ATOM 687 CG GLU A 47 -4.875 -9.666 -3.782 1.00 0.00 C ATOM 688 CD GLU A 47 -6.171 -10.188 -4.431 1.00 0.00 C ATOM 689 OE1 GLU A 47 -6.457 -9.919 -5.622 1.00 0.00 O ATOM 690 OE2 GLU A 47 -6.903 -10.973 -3.777 1.00 0.00 O ATOM 0 H GLU A 47 -2.759 -7.785 -4.721 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.442 -9.763 -2.754 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.620 -9.650 -5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.575 -11.160 -4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.815 -10.038 -2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.920 -8.579 -3.723 1.00 0.00 H new ATOM 697 N LYS A 48 -0.402 -10.099 -5.328 1.00 0.00 N ATOM 698 CA LYS A 48 0.817 -10.762 -5.786 1.00 0.00 C ATOM 699 C LYS A 48 1.959 -10.442 -4.834 1.00 0.00 C ATOM 700 O LYS A 48 2.716 -11.346 -4.486 1.00 0.00 O ATOM 701 CB LYS A 48 1.118 -10.309 -7.229 1.00 0.00 C ATOM 702 CG LYS A 48 2.549 -10.508 -7.734 1.00 0.00 C ATOM 703 CD LYS A 48 2.868 -11.951 -8.112 1.00 0.00 C ATOM 704 CE LYS A 48 3.777 -12.712 -7.132 1.00 0.00 C ATOM 705 NZ LYS A 48 3.055 -13.647 -6.245 1.00 0.00 N ATOM 0 H LYS A 48 -0.691 -9.327 -5.929 1.00 0.00 H new ATOM 0 HA LYS A 48 0.691 -11.845 -5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.445 -10.843 -7.899 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.874 -9.250 -7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.711 -9.869 -8.602 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.246 -10.181 -6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.930 -12.498 -8.208 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.341 -11.954 -9.094 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.522 -13.269 -7.701 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.318 -11.991 -6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.721 -14.351 -5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.626 -13.118 -5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.309 -14.131 -6.784 1.00 0.00 H new ATOM 719 N ALA A 49 2.129 -9.173 -4.466 1.00 0.00 N ATOM 720 CA ALA A 49 3.200 -8.758 -3.568 1.00 0.00 C ATOM 721 C ALA A 49 3.067 -9.370 -2.181 1.00 0.00 C ATOM 722 O ALA A 49 4.086 -9.660 -1.554 1.00 0.00 O ATOM 723 CB ALA A 49 3.226 -7.247 -3.406 1.00 0.00 C ATOM 0 H ALA A 49 1.531 -8.409 -4.781 1.00 0.00 H new ATOM 0 HA ALA A 49 4.123 -9.110 -4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.035 -6.967 -2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.386 -6.780 -4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.276 -6.909 -2.993 1.00 0.00 H new ATOM 729 N ASN A 50 1.843 -9.542 -1.682 1.00 0.00 N ATOM 730 CA ASN A 50 1.636 -10.125 -0.367 1.00 0.00 C ATOM 731 C ASN A 50 2.182 -11.546 -0.373 1.00 0.00 C ATOM 732 O ASN A 50 2.951 -11.915 0.508 1.00 0.00 O ATOM 733 CB ASN A 50 0.156 -10.097 0.026 1.00 0.00 C ATOM 734 CG ASN A 50 -0.004 -10.744 1.394 1.00 0.00 C ATOM 735 OD1 ASN A 50 0.738 -10.408 2.310 1.00 0.00 O ATOM 736 ND2 ASN A 50 -0.936 -11.666 1.554 1.00 0.00 N ATOM 0 H ASN A 50 0.985 -9.285 -2.171 1.00 0.00 H new ATOM 0 HA ASN A 50 2.169 -9.536 0.380 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.208 -9.070 0.050 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.441 -10.629 -0.715 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.054 -12.120 2.460 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.538 -11.924 0.772 1.00 0.00 H new ATOM 743 N GLU A 51 1.882 -12.300 -1.432 1.00 0.00 N ATOM 744 CA GLU A 51 2.449 -13.622 -1.667 1.00 0.00 C ATOM 745 C GLU A 51 3.961 -13.605 -1.898 1.00 0.00 C ATOM 746 O GLU A 51 4.610 -14.644 -1.779 1.00 0.00 O ATOM 747 CB GLU A 51 1.801 -14.223 -2.914 1.00 0.00 C ATOM 748 CG GLU A 51 0.382 -14.711 -2.654 1.00 0.00 C ATOM 749 CD GLU A 51 0.117 -15.897 -3.571 1.00 0.00 C ATOM 750 OE1 GLU A 51 0.012 -15.697 -4.803 1.00 0.00 O ATOM 751 OE2 GLU A 51 0.221 -17.048 -3.086 1.00 0.00 O ATOM 0 H GLU A 51 1.230 -12.003 -2.158 1.00 0.00 H new ATOM 0 HA GLU A 51 2.253 -14.207 -0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.786 -13.476 -3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.409 -15.055 -3.271 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.265 -15.003 -1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.336 -13.914 -2.845 1.00 0.00 H new ATOM 758 N ALA A 52 4.523 -12.469 -2.305 1.00 0.00 N ATOM 759 CA ALA A 52 5.967 -12.285 -2.450 1.00 0.00 C ATOM 760 C ALA A 52 6.630 -11.997 -1.103 1.00 0.00 C ATOM 761 O ALA A 52 7.860 -11.994 -1.043 1.00 0.00 O ATOM 762 CB ALA A 52 6.300 -11.179 -3.465 1.00 0.00 C ATOM 0 H ALA A 52 3.982 -11.639 -2.547 1.00 0.00 H new ATOM 0 HA ALA A 52 6.371 -13.222 -2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.382 -11.072 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.888 -11.443 -4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.866 -10.236 -3.131 1.00 0.00 H new ATOM 768 N MET A 53 5.854 -11.798 -0.032 1.00 0.00 N ATOM 769 CA MET A 53 6.334 -11.527 1.322 1.00 0.00 C ATOM 770 C MET A 53 7.330 -10.355 1.291 1.00 0.00 C ATOM 771 O MET A 53 8.432 -10.404 1.854 1.00 0.00 O ATOM 772 CB MET A 53 6.865 -12.824 1.955 1.00 0.00 C ATOM 773 CG MET A 53 5.808 -13.937 1.979 1.00 0.00 C ATOM 774 SD MET A 53 6.492 -15.609 2.051 1.00 0.00 S ATOM 775 CE MET A 53 4.954 -16.509 1.735 1.00 0.00 C ATOM 0 H MET A 53 4.836 -11.823 -0.090 1.00 0.00 H new ATOM 0 HA MET A 53 5.524 -11.201 1.974 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.737 -13.167 1.398 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.197 -12.619 2.973 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.157 -13.786 2.840 1.00 0.00 H new ATOM 0 HG3 MET A 53 5.185 -13.850 1.089 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.153 -17.581 1.737 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.228 -16.273 2.513 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.554 -16.216 0.765 1.00 0.00 H new ATOM 785 N ALA A 54 6.938 -9.325 0.538 1.00 0.00 N ATOM 786 CA ALA A 54 7.722 -8.165 0.161 1.00 0.00 C ATOM 787 C ALA A 54 7.094 -6.870 0.656 1.00 0.00 C ATOM 788 O ALA A 54 7.715 -5.821 0.498 1.00 0.00 O ATOM 789 CB ALA A 54 7.750 -8.116 -1.372 1.00 0.00 C ATOM 0 H ALA A 54 5.995 -9.285 0.152 1.00 0.00 H new ATOM 0 HA ALA A 54 8.715 -8.253 0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.332 -7.254 -1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.206 -9.028 -1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.732 -8.031 -1.752 1.00 0.00 H new ATOM 795 N ILE A 55 5.863 -6.901 1.167 1.00 0.00 N ATOM 796 CA ILE A 55 5.104 -5.699 1.446 1.00 0.00 C ATOM 797 C ILE A 55 5.594 -5.132 2.771 1.00 0.00 C ATOM 798 O ILE A 55 5.263 -5.643 3.839 1.00 0.00 O ATOM 799 CB ILE A 55 3.586 -5.916 1.356 1.00 0.00 C ATOM 800 CG1 ILE A 55 3.218 -6.414 -0.042 1.00 0.00 C ATOM 801 CG2 ILE A 55 2.906 -4.559 1.603 1.00 0.00 C ATOM 802 CD1 ILE A 55 1.714 -6.436 -0.292 1.00 0.00 C ATOM 0 H ILE A 55 5.371 -7.764 1.396 1.00 0.00 H new ATOM 0 HA ILE A 55 5.282 -4.952 0.673 1.00 0.00 H new ATOM 0 HB ILE A 55 3.263 -6.654 2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.695 -5.776 -0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.618 -7.418 -0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.824 -4.678 1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.179 -4.190 2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.233 -3.845 0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.518 -6.799 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.235 -7.097 0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.312 -5.428 -0.184 1.00 0.00 H new ATOM 814 N ASP A 56 6.353 -4.041 2.691 1.00 0.00 N ATOM 815 CA ASP A 56 6.824 -3.331 3.877 1.00 0.00 C ATOM 816 C ASP A 56 5.636 -2.756 4.641 1.00 0.00 C ATOM 817 O ASP A 56 5.505 -2.981 5.845 1.00 0.00 O ATOM 818 CB ASP A 56 7.805 -2.202 3.529 1.00 0.00 C ATOM 819 CG ASP A 56 8.021 -1.312 4.759 1.00 0.00 C ATOM 820 OD1 ASP A 56 8.746 -1.727 5.693 1.00 0.00 O ATOM 821 OD2 ASP A 56 7.380 -0.240 4.849 1.00 0.00 O ATOM 0 H ASP A 56 6.657 -3.627 1.809 1.00 0.00 H new ATOM 0 HA ASP A 56 7.357 -4.052 4.497 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.756 -2.621 3.199 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.414 -1.609 2.702 1.00 0.00 H new ATOM 826 N THR A 57 4.791 -2.000 3.939 1.00 0.00 N ATOM 827 CA THR A 57 3.637 -1.318 4.495 1.00 0.00 C ATOM 828 C THR A 57 2.534 -1.292 3.430 1.00 0.00 C ATOM 829 O THR A 57 2.813 -1.029 2.258 1.00 0.00 O ATOM 830 CB THR A 57 4.089 0.094 4.911 1.00 0.00 C ATOM 831 OG1 THR A 57 5.049 0.033 5.944 1.00 0.00 O ATOM 832 CG2 THR A 57 2.941 0.930 5.472 1.00 0.00 C ATOM 0 H THR A 57 4.900 -1.845 2.937 1.00 0.00 H new ATOM 0 HA THR A 57 3.235 -1.823 5.373 1.00 0.00 H new ATOM 0 HB THR A 57 4.489 0.546 4.003 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.934 0.247 5.581 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.312 1.917 5.751 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.164 1.035 4.715 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.527 0.436 6.351 1.00 0.00 H new ATOM 840 N LEU A 58 1.278 -1.496 3.835 1.00 0.00 N ATOM 841 CA LEU A 58 0.083 -1.508 2.988 1.00 0.00 C ATOM 842 C LEU A 58 -0.734 -0.261 3.307 1.00 0.00 C ATOM 843 O LEU A 58 -0.897 0.067 4.479 1.00 0.00 O ATOM 844 CB LEU A 58 -0.716 -2.778 3.333 1.00 0.00 C ATOM 845 CG LEU A 58 -2.142 -2.885 2.750 1.00 0.00 C ATOM 846 CD1 LEU A 58 -2.141 -3.239 1.267 1.00 0.00 C ATOM 847 CD2 LEU A 58 -2.917 -3.954 3.520 1.00 0.00 C ATOM 0 H LEU A 58 1.056 -1.666 4.816 1.00 0.00 H new ATOM 0 HA LEU A 58 0.334 -1.509 1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.144 -3.641 2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.787 -2.850 4.418 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.614 -1.908 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.168 -3.302 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.608 -2.469 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.647 -4.200 1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.925 -4.036 3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.408 -4.913 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.971 -3.677 4.573 1.00 0.00 H new ATOM 859 N LEU A 59 -1.279 0.417 2.295 1.00 0.00 N ATOM 860 CA LEU A 59 -2.124 1.605 2.411 1.00 0.00 C ATOM 861 C LEU A 59 -3.496 1.262 1.817 1.00 0.00 C ATOM 862 O LEU A 59 -3.549 0.780 0.686 1.00 0.00 O ATOM 863 CB LEU A 59 -1.530 2.849 1.687 1.00 0.00 C ATOM 864 CG LEU A 59 -0.111 2.805 1.095 1.00 0.00 C ATOM 865 CD1 LEU A 59 0.171 4.077 0.282 1.00 0.00 C ATOM 866 CD2 LEU A 59 1.040 2.690 2.104 1.00 0.00 C ATOM 0 H LEU A 59 -1.135 0.138 1.325 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.197 1.873 3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.210 3.103 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.557 3.677 2.395 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.124 1.894 0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.179 4.030 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.550 4.156 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.084 4.949 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.990 2.668 1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.021 3.547 2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.927 1.773 2.682 1.00 0.00 H new ATOM 878 N ILE A 60 -4.600 1.512 2.528 1.00 0.00 N ATOM 879 CA ILE A 60 -5.938 1.280 1.978 1.00 0.00 C ATOM 880 C ILE A 60 -6.919 2.341 2.493 1.00 0.00 C ATOM 881 O ILE A 60 -6.827 2.741 3.658 1.00 0.00 O ATOM 882 CB ILE A 60 -6.370 -0.169 2.302 1.00 0.00 C ATOM 883 CG1 ILE A 60 -7.532 -0.572 1.390 1.00 0.00 C ATOM 884 CG2 ILE A 60 -6.757 -0.390 3.777 1.00 0.00 C ATOM 885 CD1 ILE A 60 -7.818 -2.070 1.421 1.00 0.00 C ATOM 0 H ILE A 60 -4.593 1.874 3.482 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.931 1.383 0.893 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.500 -0.800 2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.428 -0.030 1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.306 -0.271 0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.048 -1.430 3.925 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.905 -0.157 4.416 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.592 0.261 4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.651 -2.295 0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.934 -2.616 1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.074 -2.371 2.437 1.00 0.00 H new ATOM 897 N SER A 61 -7.858 2.771 1.646 1.00 0.00 N ATOM 898 CA SER A 61 -8.980 3.623 2.024 1.00 0.00 C ATOM 899 C SER A 61 -9.976 2.822 2.867 1.00 0.00 C ATOM 900 O SER A 61 -10.211 1.637 2.600 1.00 0.00 O ATOM 901 CB SER A 61 -9.620 4.236 0.765 1.00 0.00 C ATOM 902 OG SER A 61 -10.022 5.564 1.055 1.00 0.00 O ATOM 0 H SER A 61 -7.856 2.528 0.655 1.00 0.00 H new ATOM 0 HA SER A 61 -8.633 4.453 2.640 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.909 4.229 -0.061 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.479 3.642 0.451 1.00 0.00 H new ATOM 0 HG SER A 61 -10.429 5.964 0.258 1.00 0.00 H new ATOM 908 N ASP A 62 -10.582 3.461 3.876 1.00 0.00 N ATOM 909 CA ASP A 62 -11.590 2.815 4.715 1.00 0.00 C ATOM 910 C ASP A 62 -12.723 2.287 3.854 1.00 0.00 C ATOM 911 O ASP A 62 -13.107 1.140 4.019 1.00 0.00 O ATOM 912 CB ASP A 62 -12.123 3.685 5.865 1.00 0.00 C ATOM 913 CG ASP A 62 -13.210 4.716 5.490 1.00 0.00 C ATOM 914 OD1 ASP A 62 -12.953 5.613 4.651 1.00 0.00 O ATOM 915 OD2 ASP A 62 -14.328 4.638 6.058 1.00 0.00 O ATOM 0 H ASP A 62 -10.388 4.430 4.129 1.00 0.00 H new ATOM 0 HA ASP A 62 -11.083 1.986 5.209 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.526 3.027 6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.283 4.219 6.309 1.00 0.00 H new ATOM 920 N GLU A 63 -13.183 3.046 2.867 1.00 0.00 N ATOM 921 CA GLU A 63 -14.271 2.651 1.974 1.00 0.00 C ATOM 922 C GLU A 63 -14.059 1.298 1.270 1.00 0.00 C ATOM 923 O GLU A 63 -15.026 0.681 0.826 1.00 0.00 O ATOM 924 CB GLU A 63 -14.471 3.751 0.915 1.00 0.00 C ATOM 925 CG GLU A 63 -13.161 4.083 0.184 1.00 0.00 C ATOM 926 CD GLU A 63 -13.379 4.822 -1.128 1.00 0.00 C ATOM 927 OE1 GLU A 63 -13.400 6.075 -1.126 1.00 0.00 O ATOM 928 OE2 GLU A 63 -13.483 4.158 -2.185 1.00 0.00 O ATOM 0 H GLU A 63 -12.805 3.970 2.659 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.154 2.527 2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.219 3.427 0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.858 4.650 1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.532 4.690 0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.618 3.159 -0.013 1.00 0.00 H new ATOM 935 N LEU A 64 -12.817 0.816 1.168 1.00 0.00 N ATOM 936 CA LEU A 64 -12.499 -0.505 0.640 1.00 0.00 C ATOM 937 C LEU A 64 -12.457 -1.507 1.788 1.00 0.00 C ATOM 938 O LEU A 64 -13.051 -2.585 1.709 1.00 0.00 O ATOM 939 CB LEU A 64 -11.150 -0.470 -0.081 1.00 0.00 C ATOM 940 CG LEU A 64 -11.065 0.526 -1.247 1.00 0.00 C ATOM 941 CD1 LEU A 64 -9.714 0.334 -1.922 1.00 0.00 C ATOM 942 CD2 LEU A 64 -12.175 0.359 -2.289 1.00 0.00 C ATOM 0 H LEU A 64 -11.994 1.345 1.456 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.265 -0.806 -0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.373 -0.225 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.930 -1.469 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.187 1.527 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.622 1.029 -2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.918 0.524 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.634 -0.689 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.046 1.098 -3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.125 -0.642 -2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.145 0.502 -1.813 1.00 0.00 H new ATOM 954 N PHE A 65 -11.799 -1.133 2.889 1.00 0.00 N ATOM 955 CA PHE A 65 -11.763 -1.889 4.135 1.00 0.00 C ATOM 956 C PHE A 65 -13.171 -2.274 4.625 1.00 0.00 C ATOM 957 O PHE A 65 -13.349 -3.322 5.253 1.00 0.00 O ATOM 958 CB PHE A 65 -11.038 -1.017 5.177 1.00 0.00 C ATOM 959 CG PHE A 65 -10.560 -1.708 6.435 1.00 0.00 C ATOM 960 CD1 PHE A 65 -9.825 -2.908 6.363 1.00 0.00 C ATOM 961 CD2 PHE A 65 -10.836 -1.124 7.688 1.00 0.00 C ATOM 962 CE1 PHE A 65 -9.434 -3.558 7.547 1.00 0.00 C ATOM 963 CE2 PHE A 65 -10.416 -1.760 8.868 1.00 0.00 C ATOM 964 CZ PHE A 65 -9.729 -2.984 8.796 1.00 0.00 C ATOM 0 H PHE A 65 -11.261 -0.268 2.935 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.235 -2.830 3.977 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.176 -0.558 4.694 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.708 -0.208 5.468 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.563 -3.327 5.403 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.371 -0.187 7.741 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.907 -4.499 7.497 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.620 -1.310 9.828 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.427 -3.485 9.703 1.00 0.00 H new ATOM 974 N ARG A 66 -14.179 -1.454 4.314 1.00 0.00 N ATOM 975 CA ARG A 66 -15.578 -1.596 4.681 1.00 0.00 C ATOM 976 C ARG A 66 -16.479 -1.518 3.440 1.00 0.00 C ATOM 977 O ARG A 66 -17.620 -1.075 3.547 1.00 0.00 O ATOM 978 CB ARG A 66 -15.948 -0.615 5.817 1.00 0.00 C ATOM 979 CG ARG A 66 -14.978 0.534 6.131 1.00 0.00 C ATOM 980 CD ARG A 66 -15.392 1.261 7.395 1.00 0.00 C ATOM 981 NE ARG A 66 -15.031 0.468 8.572 1.00 0.00 N ATOM 982 CZ ARG A 66 -15.071 0.853 9.844 1.00 0.00 C ATOM 983 NH1 ARG A 66 -15.747 1.933 10.215 1.00 0.00 N ATOM 984 NH2 ARG A 66 -14.407 0.114 10.722 1.00 0.00 N ATOM 0 H ARG A 66 -14.019 -0.614 3.758 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.751 -2.590 5.094 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.916 -0.176 5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.080 -1.197 6.729 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.968 0.141 6.247 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.954 1.234 5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.905 2.235 7.440 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.467 1.442 7.384 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.714 -0.485 8.397 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.249 2.485 9.519 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.765 2.211 11.196 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.894 -0.711 10.410 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.409 0.370 11.709 1.00 0.00 H new ATOM 998 N HIS A 67 -16.003 -1.967 2.271 1.00 0.00 N ATOM 999 CA HIS A 67 -16.787 -1.931 1.033 1.00 0.00 C ATOM 1000 C HIS A 67 -18.168 -2.570 1.223 1.00 0.00 C ATOM 1001 O HIS A 67 -18.344 -3.483 2.034 1.00 0.00 O ATOM 1002 CB HIS A 67 -16.020 -2.597 -0.117 1.00 0.00 C ATOM 1003 CG HIS A 67 -16.598 -2.272 -1.472 1.00 0.00 C ATOM 1004 ND1 HIS A 67 -17.730 -2.862 -2.032 1.00 0.00 N ATOM 1005 CD2 HIS A 67 -16.087 -1.370 -2.355 1.00 0.00 C ATOM 1006 CE1 HIS A 67 -17.889 -2.287 -3.235 1.00 0.00 C ATOM 1007 NE2 HIS A 67 -16.931 -1.368 -3.442 1.00 0.00 N ATOM 0 H HIS A 67 -15.070 -2.363 2.159 1.00 0.00 H new ATOM 0 HA HIS A 67 -16.947 -0.885 0.771 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -14.978 -2.278 -0.086 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -16.027 -3.678 0.026 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.195 -0.774 -2.227 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -18.674 -2.529 -3.936 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -16.844 -0.771 -4.264 1.00 0.00 H new ATOM 1015 N GLN A 68 -19.159 -2.065 0.498 1.00 0.00 N ATOM 1016 CA GLN A 68 -20.553 -2.462 0.586 1.00 0.00 C ATOM 1017 C GLN A 68 -20.799 -3.883 0.075 1.00 0.00 C ATOM 1018 O GLN A 68 -21.744 -4.532 0.521 1.00 0.00 O ATOM 1019 CB GLN A 68 -21.437 -1.453 -0.174 1.00 0.00 C ATOM 1020 CG GLN A 68 -21.093 -1.185 -1.657 1.00 0.00 C ATOM 1021 CD GLN A 68 -20.099 -0.042 -1.895 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -19.190 0.209 -1.108 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -20.236 0.680 -2.992 1.00 0.00 N ATOM 0 H GLN A 68 -19.002 -1.335 -0.197 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.822 -2.461 1.642 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -22.468 -1.804 -0.125 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -21.398 -0.503 0.358 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -20.684 -2.098 -2.090 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -22.015 -0.962 -2.194 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -20.990 0.474 -3.647 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -19.588 1.444 -3.184 1.00 0.00 H new ATOM 1032 N ASP A 69 -20.027 -4.355 -0.903 1.00 0.00 N ATOM 1033 CA ASP A 69 -20.142 -5.697 -1.458 1.00 0.00 C ATOM 1034 C ASP A 69 -19.251 -6.589 -0.610 1.00 0.00 C ATOM 1035 O ASP A 69 -18.046 -6.362 -0.515 1.00 0.00 O ATOM 1036 CB ASP A 69 -19.731 -5.709 -2.938 1.00 0.00 C ATOM 1037 CG ASP A 69 -19.726 -7.107 -3.575 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -20.032 -8.116 -2.897 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -19.452 -7.189 -4.793 1.00 0.00 O ATOM 0 H ASP A 69 -19.290 -3.801 -1.339 1.00 0.00 H new ATOM 0 HA ASP A 69 -21.171 -6.057 -1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -20.412 -5.068 -3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.735 -5.275 -3.031 1.00 0.00 H new ATOM 1044 N VAL A 70 -19.833 -7.582 0.052 1.00 0.00 N ATOM 1045 CA VAL A 70 -19.124 -8.479 0.944 1.00 0.00 C ATOM 1046 C VAL A 70 -18.032 -9.239 0.179 1.00 0.00 C ATOM 1047 O VAL A 70 -17.000 -9.537 0.776 1.00 0.00 O ATOM 1048 CB VAL A 70 -20.143 -9.406 1.643 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -19.466 -10.321 2.674 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -21.223 -8.602 2.388 1.00 0.00 C ATOM 0 H VAL A 70 -20.830 -7.786 -0.020 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.609 -7.917 1.723 1.00 0.00 H new ATOM 0 HB VAL A 70 -20.593 -10.001 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -20.216 -10.957 3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.723 -10.943 2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -18.978 -9.713 3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -21.922 -9.288 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -20.752 -7.976 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.761 -7.972 1.680 1.00 0.00 H new ATOM 1060 N ALA A 71 -18.180 -9.534 -1.118 1.00 0.00 N ATOM 1061 CA ALA A 71 -17.119 -10.173 -1.897 1.00 0.00 C ATOM 1062 C ALA A 71 -15.908 -9.239 -1.993 1.00 0.00 C ATOM 1063 O ALA A 71 -14.782 -9.611 -1.644 1.00 0.00 O ATOM 1064 CB ALA A 71 -17.637 -10.558 -3.286 1.00 0.00 C ATOM 0 H ALA A 71 -19.028 -9.339 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.805 -11.088 -1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -16.837 -11.032 -3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.471 -11.253 -3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -17.973 -9.663 -3.810 1.00 0.00 H new ATOM 1070 N THR A 72 -16.143 -8.016 -2.457 1.00 0.00 N ATOM 1071 CA THR A 72 -15.170 -6.946 -2.595 1.00 0.00 C ATOM 1072 C THR A 72 -14.526 -6.621 -1.245 1.00 0.00 C ATOM 1073 O THR A 72 -13.297 -6.622 -1.149 1.00 0.00 O ATOM 1074 CB THR A 72 -15.923 -5.750 -3.199 1.00 0.00 C ATOM 1075 OG1 THR A 72 -16.576 -6.151 -4.387 1.00 0.00 O ATOM 1076 CG2 THR A 72 -15.059 -4.526 -3.459 1.00 0.00 C ATOM 0 H THR A 72 -17.073 -7.732 -2.764 1.00 0.00 H new ATOM 0 HA THR A 72 -14.344 -7.230 -3.248 1.00 0.00 H new ATOM 0 HB THR A 72 -16.648 -5.438 -2.447 1.00 0.00 H new ATOM 0 HG1 THR A 72 -17.057 -5.388 -4.770 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.672 -3.732 -3.885 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.622 -4.184 -2.521 1.00 0.00 H new ATOM 0 HG23 THR A 72 -14.263 -4.784 -4.158 1.00 0.00 H new ATOM 1084 N ARG A 73 -15.306 -6.381 -0.189 1.00 0.00 N ATOM 1085 CA ARG A 73 -14.783 -6.104 1.137 1.00 0.00 C ATOM 1086 C ARG A 73 -13.916 -7.253 1.609 1.00 0.00 C ATOM 1087 O ARG A 73 -12.809 -7.004 2.082 1.00 0.00 O ATOM 1088 CB ARG A 73 -15.924 -5.863 2.131 1.00 0.00 C ATOM 1089 CG ARG A 73 -15.320 -5.308 3.423 1.00 0.00 C ATOM 1090 CD ARG A 73 -16.316 -5.189 4.570 1.00 0.00 C ATOM 1091 NE ARG A 73 -15.586 -5.031 5.843 1.00 0.00 N ATOM 1092 CZ ARG A 73 -16.018 -5.446 7.038 1.00 0.00 C ATOM 1093 NH1 ARG A 73 -17.291 -5.806 7.174 1.00 0.00 N ATOM 1094 NH2 ARG A 73 -15.191 -5.521 8.079 1.00 0.00 N ATOM 0 H ARG A 73 -16.325 -6.375 -0.237 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.176 -5.201 1.083 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.648 -5.161 1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.459 -6.792 2.329 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.498 -5.953 3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.895 -4.325 3.221 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.973 -4.335 4.407 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.949 -6.076 4.609 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.678 -4.567 5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.921 -5.763 6.373 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.637 -6.125 8.079 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.211 -5.260 7.972 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.538 -5.840 8.984 1.00 0.00 H new ATOM 1108 N SER A 74 -14.406 -8.492 1.500 1.00 0.00 N ATOM 1109 CA SER A 74 -13.678 -9.638 2.020 1.00 0.00 C ATOM 1110 C SER A 74 -12.263 -9.702 1.441 1.00 0.00 C ATOM 1111 O SER A 74 -11.344 -9.999 2.186 1.00 0.00 O ATOM 1112 CB SER A 74 -14.446 -10.940 1.816 1.00 0.00 C ATOM 1113 OG SER A 74 -15.532 -11.016 2.727 1.00 0.00 O ATOM 0 H SER A 74 -15.297 -8.719 1.059 1.00 0.00 H new ATOM 0 HA SER A 74 -13.579 -9.505 3.097 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.816 -10.996 0.792 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.780 -11.790 1.961 1.00 0.00 H new ATOM 0 HG SER A 74 -16.314 -10.570 2.341 1.00 0.00 H new ATOM 1119 N ARG A 75 -12.052 -9.320 0.180 1.00 0.00 N ATOM 1120 CA ARG A 75 -10.725 -9.269 -0.445 1.00 0.00 C ATOM 1121 C ARG A 75 -9.816 -8.304 0.288 1.00 0.00 C ATOM 1122 O ARG A 75 -8.693 -8.661 0.637 1.00 0.00 O ATOM 1123 CB ARG A 75 -10.860 -8.840 -1.910 1.00 0.00 C ATOM 1124 CG ARG A 75 -11.370 -9.970 -2.797 1.00 0.00 C ATOM 1125 CD ARG A 75 -12.214 -9.437 -3.960 1.00 0.00 C ATOM 1126 NE ARG A 75 -12.555 -10.531 -4.882 1.00 0.00 N ATOM 1127 CZ ARG A 75 -13.250 -11.630 -4.562 1.00 0.00 C ATOM 1128 NH1 ARG A 75 -13.981 -11.675 -3.454 1.00 0.00 N ATOM 1129 NH2 ARG A 75 -13.175 -12.691 -5.352 1.00 0.00 N ATOM 0 H ARG A 75 -12.806 -9.034 -0.445 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.283 -10.264 -0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.542 -7.992 -1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.892 -8.500 -2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.525 -10.535 -3.189 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.966 -10.661 -2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.125 -8.977 -3.577 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.664 -8.661 -4.492 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.235 -10.445 -5.847 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.018 -10.866 -2.834 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.505 -12.519 -3.223 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.594 -12.663 -6.190 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.698 -13.536 -5.122 1.00 0.00 H new ATOM 1143 N TYR A 76 -10.279 -7.075 0.498 1.00 0.00 N ATOM 1144 CA TYR A 76 -9.488 -6.070 1.178 1.00 0.00 C ATOM 1145 C TYR A 76 -9.140 -6.509 2.594 1.00 0.00 C ATOM 1146 O TYR A 76 -7.967 -6.482 2.952 1.00 0.00 O ATOM 1147 CB TYR A 76 -10.237 -4.739 1.141 1.00 0.00 C ATOM 1148 CG TYR A 76 -10.409 -4.225 -0.276 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -9.288 -4.026 -1.106 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -11.695 -3.988 -0.786 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -9.450 -3.581 -2.427 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -11.855 -3.526 -2.101 1.00 0.00 C ATOM 1153 CZ TYR A 76 -10.737 -3.309 -2.929 1.00 0.00 C ATOM 1154 OH TYR A 76 -10.927 -2.907 -4.214 1.00 0.00 O ATOM 0 H TYR A 76 -11.202 -6.756 0.203 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.536 -5.939 0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.216 -4.861 1.604 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.694 -4.001 1.731 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.297 -4.217 -0.723 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.562 -4.161 -0.166 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.585 -3.447 -3.060 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.847 -3.335 -2.483 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.884 -2.769 -4.376 1.00 0.00 H new ATOM 1164 N VAL A 77 -10.116 -6.926 3.402 1.00 0.00 N ATOM 1165 CA VAL A 77 -9.834 -7.334 4.781 1.00 0.00 C ATOM 1166 C VAL A 77 -8.929 -8.568 4.813 1.00 0.00 C ATOM 1167 O VAL A 77 -8.034 -8.628 5.655 1.00 0.00 O ATOM 1168 CB VAL A 77 -11.120 -7.518 5.608 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -12.018 -6.290 5.456 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -11.959 -8.714 5.173 1.00 0.00 C ATOM 0 H VAL A 77 -11.097 -6.990 3.131 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.287 -6.523 5.261 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.783 -7.672 6.633 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.925 -6.428 6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.488 -5.406 5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.282 -6.160 4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.849 -8.781 5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.257 -8.590 4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.372 -9.627 5.276 1.00 0.00 H new ATOM 1180 N ARG A 78 -9.110 -9.517 3.884 1.00 0.00 N ATOM 1181 CA ARG A 78 -8.264 -10.690 3.748 1.00 0.00 C ATOM 1182 C ARG A 78 -6.820 -10.293 3.527 1.00 0.00 C ATOM 1183 O ARG A 78 -5.946 -10.747 4.264 1.00 0.00 O ATOM 1184 CB ARG A 78 -8.761 -11.537 2.565 1.00 0.00 C ATOM 1185 CG ARG A 78 -9.928 -12.437 2.980 1.00 0.00 C ATOM 1186 CD ARG A 78 -9.369 -13.826 3.247 1.00 0.00 C ATOM 1187 NE ARG A 78 -10.282 -14.677 4.012 1.00 0.00 N ATOM 1188 CZ ARG A 78 -9.877 -15.787 4.634 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -8.645 -16.255 4.465 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -10.722 -16.417 5.433 1.00 0.00 N ATOM 0 H ARG A 78 -9.864 -9.482 3.198 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.318 -11.271 4.669 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.075 -10.882 1.752 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.944 -12.149 2.184 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.416 -12.043 3.872 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.682 -12.473 2.193 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.143 -14.309 2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.428 -13.734 3.789 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.265 -14.412 4.072 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.993 -15.765 3.853 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.351 -17.104 4.948 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.666 -16.053 5.566 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.430 -17.266 5.916 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.591 -9.455 2.521 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.279 -8.954 2.164 1.00 0.00 C ATOM 1206 C LEU A 79 -4.662 -8.205 3.346 1.00 0.00 C ATOM 1207 O LEU A 79 -3.523 -8.477 3.702 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.431 -8.088 0.907 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.132 -7.388 0.475 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.025 -8.387 0.122 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.438 -6.521 -0.748 1.00 0.00 C ATOM 0 H LEU A 79 -7.335 -9.100 1.920 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.590 -9.767 1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.786 -8.713 0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.197 -7.333 1.087 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.773 -6.786 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.128 -7.845 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.803 -9.006 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.356 -9.022 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.529 -6.014 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.810 -7.150 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.194 -5.780 -0.488 1.00 0.00 H new ATOM 1223 N VAL A 80 -5.413 -7.298 3.975 1.00 0.00 N ATOM 1224 CA VAL A 80 -4.988 -6.542 5.149 1.00 0.00 C ATOM 1225 C VAL A 80 -4.525 -7.491 6.261 1.00 0.00 C ATOM 1226 O VAL A 80 -3.481 -7.264 6.872 1.00 0.00 O ATOM 1227 CB VAL A 80 -6.142 -5.613 5.598 1.00 0.00 C ATOM 1228 CG1 VAL A 80 -5.934 -5.037 7.004 1.00 0.00 C ATOM 1229 CG2 VAL A 80 -6.306 -4.421 4.642 1.00 0.00 C ATOM 0 H VAL A 80 -6.358 -7.065 3.671 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.131 -5.916 4.903 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.030 -6.245 5.593 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.776 -4.394 7.262 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.866 -5.852 7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.013 -4.455 7.026 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.124 -3.789 4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.383 -3.841 4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.527 -4.787 3.639 1.00 0.00 H new ATOM 1239 N ASP A 81 -5.299 -8.536 6.561 1.00 0.00 N ATOM 1240 CA ASP A 81 -4.973 -9.468 7.624 1.00 0.00 C ATOM 1241 C ASP A 81 -3.737 -10.281 7.262 1.00 0.00 C ATOM 1242 O ASP A 81 -2.873 -10.469 8.117 1.00 0.00 O ATOM 1243 CB ASP A 81 -6.166 -10.406 7.898 1.00 0.00 C ATOM 1244 CG ASP A 81 -7.052 -10.011 9.082 1.00 0.00 C ATOM 1245 OD1 ASP A 81 -6.639 -9.195 9.938 1.00 0.00 O ATOM 1246 OD2 ASP A 81 -8.193 -10.528 9.161 1.00 0.00 O ATOM 0 H ASP A 81 -6.166 -8.753 6.070 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.760 -8.898 8.528 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.785 -10.451 7.002 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.783 -11.412 8.072 1.00 0.00 H new ATOM 1251 N SER A 82 -3.649 -10.753 6.018 1.00 0.00 N ATOM 1252 CA SER A 82 -2.611 -11.662 5.565 1.00 0.00 C ATOM 1253 C SER A 82 -1.285 -10.928 5.437 1.00 0.00 C ATOM 1254 O SER A 82 -0.241 -11.520 5.699 1.00 0.00 O ATOM 1255 CB SER A 82 -3.073 -12.270 4.239 1.00 0.00 C ATOM 1256 OG SER A 82 -2.236 -13.297 3.745 1.00 0.00 O ATOM 0 H SER A 82 -4.315 -10.505 5.286 1.00 0.00 H new ATOM 0 HA SER A 82 -2.448 -12.464 6.285 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.080 -12.668 4.367 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.136 -11.478 3.492 1.00 0.00 H new ATOM 0 HG SER A 82 -2.597 -13.635 2.899 1.00 0.00 H new ATOM 1262 N VAL A 83 -1.310 -9.631 5.125 1.00 0.00 N ATOM 1263 CA VAL A 83 -0.111 -8.819 5.110 1.00 0.00 C ATOM 1264 C VAL A 83 0.595 -8.909 6.466 1.00 0.00 C ATOM 1265 O VAL A 83 1.813 -9.079 6.484 1.00 0.00 O ATOM 1266 CB VAL A 83 -0.461 -7.384 4.639 1.00 0.00 C ATOM 1267 CG1 VAL A 83 0.443 -6.296 5.221 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -0.382 -7.295 3.105 1.00 0.00 C ATOM 0 H VAL A 83 -2.160 -9.125 4.878 1.00 0.00 H new ATOM 0 HA VAL A 83 0.613 -9.193 4.386 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.472 -7.202 5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.131 -5.323 4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.367 -6.303 6.308 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.476 -6.486 4.928 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.630 -6.283 2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.628 -7.542 2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.088 -7.998 2.663 1.00 0.00 H new ATOM 1278 N LYS A 84 -0.141 -8.860 7.583 1.00 0.00 N ATOM 1279 CA LYS A 84 0.430 -8.966 8.930 1.00 0.00 C ATOM 1280 C LYS A 84 1.041 -10.345 9.164 1.00 0.00 C ATOM 1281 O LYS A 84 2.105 -10.463 9.776 1.00 0.00 O ATOM 1282 CB LYS A 84 -0.649 -8.687 9.988 1.00 0.00 C ATOM 1283 CG LYS A 84 -1.268 -7.295 9.811 1.00 0.00 C ATOM 1284 CD LYS A 84 -2.399 -6.994 10.796 1.00 0.00 C ATOM 1285 CE LYS A 84 -3.757 -7.554 10.391 1.00 0.00 C ATOM 1286 NZ LYS A 84 -4.037 -8.907 10.930 1.00 0.00 N ATOM 0 H LYS A 84 -1.154 -8.745 7.577 1.00 0.00 H new ATOM 0 HA LYS A 84 1.222 -8.222 9.018 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.430 -9.444 9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.212 -8.768 10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.488 -6.543 9.927 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.650 -7.204 8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.130 -7.398 11.772 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.486 -5.914 10.911 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.536 -6.871 10.730 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.814 -7.589 9.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.033 -9.150 10.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.424 -9.602 10.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.850 -8.919 11.953 1.00 0.00 H new ATOM 1300 N GLU A 85 0.391 -11.399 8.670 1.00 0.00 N ATOM 1301 CA GLU A 85 0.917 -12.757 8.750 1.00 0.00 C ATOM 1302 C GLU A 85 2.184 -12.920 7.907 1.00 0.00 C ATOM 1303 O GLU A 85 3.045 -13.725 8.259 1.00 0.00 O ATOM 1304 CB GLU A 85 -0.136 -13.776 8.332 1.00 0.00 C ATOM 1305 CG GLU A 85 -1.365 -13.729 9.242 1.00 0.00 C ATOM 1306 CD GLU A 85 -2.189 -14.991 9.037 1.00 0.00 C ATOM 1307 OE1 GLU A 85 -2.865 -15.091 7.985 1.00 0.00 O ATOM 1308 OE2 GLU A 85 -2.101 -15.904 9.887 1.00 0.00 O ATOM 0 H GLU A 85 -0.514 -11.333 8.204 1.00 0.00 H new ATOM 0 HA GLU A 85 1.182 -12.941 9.791 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.439 -13.585 7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.296 -14.776 8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.057 -13.647 10.284 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.966 -12.848 9.017 1.00 0.00 H new ATOM 1315 N ASN A 86 2.354 -12.105 6.871 1.00 0.00 N ATOM 1316 CA ASN A 86 3.508 -12.094 5.975 1.00 0.00 C ATOM 1317 C ASN A 86 4.442 -10.943 6.379 1.00 0.00 C ATOM 1318 O ASN A 86 4.906 -10.174 5.535 1.00 0.00 O ATOM 1319 CB ASN A 86 3.024 -11.997 4.519 1.00 0.00 C ATOM 1320 CG ASN A 86 2.223 -13.205 4.047 1.00 0.00 C ATOM 1321 OD1 ASN A 86 1.929 -14.133 4.796 1.00 0.00 O ATOM 1322 ND2 ASN A 86 1.836 -13.211 2.788 1.00 0.00 N ATOM 0 H ASN A 86 1.660 -11.401 6.621 1.00 0.00 H new ATOM 0 HA ASN A 86 4.079 -13.019 6.056 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.410 -11.103 4.410 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.889 -11.871 3.868 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.287 -13.991 2.427 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.085 -12.436 2.174 1.00 0.00 H new ATOM 1329 N ALA A 87 4.665 -10.803 7.690 1.00 0.00 N ATOM 1330 CA ALA A 87 5.536 -9.858 8.389 1.00 0.00 C ATOM 1331 C ALA A 87 5.265 -8.359 8.162 1.00 0.00 C ATOM 1332 O ALA A 87 6.016 -7.526 8.679 1.00 0.00 O ATOM 1333 CB ALA A 87 7.006 -10.235 8.148 1.00 0.00 C ATOM 0 H ALA A 87 4.189 -11.413 8.355 1.00 0.00 H new ATOM 0 HA ALA A 87 5.286 -9.969 9.444 1.00 0.00 H new ATOM 0 HB1 ALA A 87 7.653 -9.530 8.670 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.190 -11.242 8.523 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.220 -10.202 7.080 1.00 0.00 H new ATOM 1339 N GLY A 88 4.211 -7.986 7.439 1.00 0.00 N ATOM 1340 CA GLY A 88 3.925 -6.627 7.000 1.00 0.00 C ATOM 1341 C GLY A 88 3.123 -5.802 8.012 1.00 0.00 C ATOM 1342 O GLY A 88 2.904 -6.223 9.150 1.00 0.00 O ATOM 0 H GLY A 88 3.504 -8.654 7.131 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.866 -6.117 6.795 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.373 -6.668 6.061 1.00 0.00 H new ATOM 1346 N THR A 89 2.736 -4.590 7.614 1.00 0.00 N ATOM 1347 CA THR A 89 2.091 -3.552 8.409 1.00 0.00 C ATOM 1348 C THR A 89 0.856 -3.007 7.683 1.00 0.00 C ATOM 1349 O THR A 89 0.837 -2.902 6.454 1.00 0.00 O ATOM 1350 CB THR A 89 3.155 -2.470 8.653 1.00 0.00 C ATOM 1351 OG1 THR A 89 4.000 -2.927 9.691 1.00 0.00 O ATOM 1352 CG2 THR A 89 2.634 -1.085 9.032 1.00 0.00 C ATOM 0 H THR A 89 2.878 -4.288 6.650 1.00 0.00 H new ATOM 0 HA THR A 89 1.727 -3.937 9.362 1.00 0.00 H new ATOM 0 HB THR A 89 3.661 -2.330 7.698 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.692 -2.256 9.868 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.475 -0.407 9.179 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.997 -0.705 8.234 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.058 -1.153 9.955 1.00 0.00 H new ATOM 1360 N VAL A 90 -0.145 -2.573 8.452 1.00 0.00 N ATOM 1361 CA VAL A 90 -1.399 -2.019 7.965 1.00 0.00 C ATOM 1362 C VAL A 90 -1.462 -0.534 8.339 1.00 0.00 C ATOM 1363 O VAL A 90 -0.944 -0.097 9.371 1.00 0.00 O ATOM 1364 CB VAL A 90 -2.563 -2.854 8.540 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -3.937 -2.286 8.145 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -2.462 -4.317 8.075 1.00 0.00 C ATOM 0 H VAL A 90 -0.097 -2.601 9.470 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.475 -2.073 6.879 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.477 -2.806 9.626 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.724 -2.907 8.573 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.032 -1.268 8.523 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.030 -2.280 7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.291 -4.889 8.491 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.504 -4.357 6.987 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.519 -4.743 8.418 1.00 0.00 H new ATOM 1376 N ARG A 91 -2.102 0.256 7.477 1.00 0.00 N ATOM 1377 CA ARG A 91 -2.313 1.696 7.599 1.00 0.00 C ATOM 1378 C ARG A 91 -3.659 2.011 6.952 1.00 0.00 C ATOM 1379 O ARG A 91 -3.876 1.605 5.806 1.00 0.00 O ATOM 1380 CB ARG A 91 -1.216 2.455 6.842 1.00 0.00 C ATOM 1381 CG ARG A 91 0.239 2.213 7.272 1.00 0.00 C ATOM 1382 CD ARG A 91 0.721 3.352 8.156 1.00 0.00 C ATOM 1383 NE ARG A 91 2.042 3.115 8.769 1.00 0.00 N ATOM 1384 CZ ARG A 91 2.341 2.225 9.726 1.00 0.00 C ATOM 1385 NH1 ARG A 91 1.402 1.441 10.253 1.00 0.00 N ATOM 1386 NH2 ARG A 91 3.594 2.102 10.151 1.00 0.00 N ATOM 0 H ARG A 91 -2.512 -0.118 6.621 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.290 1.994 8.647 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.301 2.203 5.785 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.421 3.522 6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.315 1.268 7.810 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.877 2.131 6.392 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.765 4.265 7.563 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.011 3.520 8.946 1.00 0.00 H new ATOM 0 HE ARG A 91 2.811 3.691 8.428 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.437 1.512 9.929 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.648 0.769 10.980 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.328 2.685 9.749 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.821 1.425 10.879 1.00 0.00 H new ATOM 1400 N ILE A 92 -4.567 2.684 7.654 1.00 0.00 N ATOM 1401 CA ILE A 92 -5.943 2.873 7.183 1.00 0.00 C ATOM 1402 C ILE A 92 -6.184 4.358 6.957 1.00 0.00 C ATOM 1403 O ILE A 92 -5.992 5.168 7.864 1.00 0.00 O ATOM 1404 CB ILE A 92 -6.981 2.264 8.148 1.00 0.00 C ATOM 1405 CG1 ILE A 92 -6.718 0.786 8.503 1.00 0.00 C ATOM 1406 CG2 ILE A 92 -8.393 2.404 7.553 1.00 0.00 C ATOM 1407 CD1 ILE A 92 -6.840 -0.178 7.315 1.00 0.00 C ATOM 0 H ILE A 92 -4.375 3.112 8.560 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.069 2.339 6.241 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.893 2.826 9.078 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.717 0.698 8.926 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.420 0.480 9.278 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.121 1.972 8.239 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.620 3.459 7.399 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.439 1.880 6.598 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.640 -1.196 7.650 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.848 -0.123 6.904 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.119 0.099 6.546 1.00 0.00 H new ATOM 1419 N PHE A 93 -6.592 4.701 5.741 1.00 0.00 N ATOM 1420 CA PHE A 93 -6.890 6.051 5.301 1.00 0.00 C ATOM 1421 C PHE A 93 -8.368 6.319 5.546 1.00 0.00 C ATOM 1422 O PHE A 93 -9.152 5.390 5.755 1.00 0.00 O ATOM 1423 CB PHE A 93 -6.552 6.183 3.805 1.00 0.00 C ATOM 1424 CG PHE A 93 -5.079 6.251 3.467 1.00 0.00 C ATOM 1425 CD1 PHE A 93 -4.175 5.302 3.967 1.00 0.00 C ATOM 1426 CD2 PHE A 93 -4.599 7.256 2.615 1.00 0.00 C ATOM 1427 CE1 PHE A 93 -2.813 5.427 3.706 1.00 0.00 C ATOM 1428 CE2 PHE A 93 -3.230 7.335 2.307 1.00 0.00 C ATOM 1429 CZ PHE A 93 -2.315 6.437 2.871 1.00 0.00 C ATOM 0 H PHE A 93 -6.729 4.010 5.003 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.296 6.779 5.853 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.988 5.335 3.277 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -7.036 7.081 3.420 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.536 4.472 4.556 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.286 7.974 2.193 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -2.124 4.729 4.158 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.879 8.097 1.627 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.257 6.520 2.669 1.00 0.00 H new ATOM 1439 N SER A 94 -8.773 7.581 5.509 1.00 0.00 N ATOM 1440 CA SER A 94 -10.173 7.932 5.357 1.00 0.00 C ATOM 1441 C SER A 94 -10.373 8.375 3.918 1.00 0.00 C ATOM 1442 O SER A 94 -9.586 9.180 3.420 1.00 0.00 O ATOM 1443 CB SER A 94 -10.546 9.034 6.346 1.00 0.00 C ATOM 1444 OG SER A 94 -10.441 8.526 7.661 1.00 0.00 O ATOM 0 H SER A 94 -8.145 8.381 5.583 1.00 0.00 H new ATOM 0 HA SER A 94 -10.821 7.082 5.572 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.886 9.892 6.220 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.561 9.382 6.157 1.00 0.00 H new ATOM 0 HG SER A 94 -10.677 9.228 8.303 1.00 0.00 H new ATOM 1450 N SER A 95 -11.460 7.923 3.298 1.00 0.00 N ATOM 1451 CA SER A 95 -11.920 8.402 1.996 1.00 0.00 C ATOM 1452 C SER A 95 -12.027 9.941 1.966 1.00 0.00 C ATOM 1453 O SER A 95 -11.839 10.553 0.915 1.00 0.00 O ATOM 1454 CB SER A 95 -13.268 7.714 1.757 1.00 0.00 C ATOM 1455 OG SER A 95 -13.898 8.004 0.525 1.00 0.00 O ATOM 0 H SER A 95 -12.059 7.198 3.694 1.00 0.00 H new ATOM 0 HA SER A 95 -11.215 8.157 1.201 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.121 6.636 1.823 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.945 7.993 2.564 1.00 0.00 H new ATOM 0 HG SER A 95 -13.744 7.267 -0.103 1.00 0.00 H new ATOM 1461 N LEU A 96 -12.285 10.558 3.129 1.00 0.00 N ATOM 1462 CA LEU A 96 -12.408 11.999 3.344 1.00 0.00 C ATOM 1463 C LEU A 96 -11.096 12.762 3.149 1.00 0.00 C ATOM 1464 O LEU A 96 -11.134 13.976 2.948 1.00 0.00 O ATOM 1465 CB LEU A 96 -12.843 12.268 4.803 1.00 0.00 C ATOM 1466 CG LEU A 96 -14.178 11.645 5.240 1.00 0.00 C ATOM 1467 CD1 LEU A 96 -14.382 11.840 6.745 1.00 0.00 C ATOM 1468 CD2 LEU A 96 -15.354 12.258 4.483 1.00 0.00 C ATOM 0 H LEU A 96 -12.420 10.030 3.991 1.00 0.00 H new ATOM 0 HA LEU A 96 -13.134 12.343 2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.060 11.901 5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.905 13.346 4.949 1.00 0.00 H new ATOM 0 HG LEU A 96 -14.139 10.580 5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.331 11.395 7.044 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.568 11.359 7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -14.392 12.905 6.976 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.283 11.795 4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.393 13.330 4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -15.227 12.088 3.414 1.00 0.00 H new ATOM 1480 N HIS A 97 -9.946 12.119 3.348 1.00 0.00 N ATOM 1481 CA HIS A 97 -8.665 12.788 3.502 1.00 0.00 C ATOM 1482 C HIS A 97 -8.045 13.103 2.137 1.00 0.00 C ATOM 1483 O HIS A 97 -8.329 12.395 1.171 1.00 0.00 O ATOM 1484 CB HIS A 97 -7.767 11.843 4.308 1.00 0.00 C ATOM 1485 CG HIS A 97 -6.651 12.552 4.999 1.00 0.00 C ATOM 1486 ND1 HIS A 97 -5.312 12.390 4.773 1.00 0.00 N ATOM 1487 CD2 HIS A 97 -6.806 13.416 6.041 1.00 0.00 C ATOM 1488 CE1 HIS A 97 -4.657 13.148 5.654 1.00 0.00 C ATOM 1489 NE2 HIS A 97 -5.522 13.784 6.471 1.00 0.00 N ATOM 0 H HIS A 97 -9.883 11.103 3.407 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.784 13.741 4.017 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.371 11.319 5.048 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.353 11.087 3.641 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -7.743 13.755 6.458 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.582 13.240 5.706 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.290 14.407 7.245 1.00 0.00 H new ATOM 1497 N VAL A 98 -7.113 14.067 2.053 1.00 0.00 N ATOM 1498 CA VAL A 98 -6.399 14.300 0.793 1.00 0.00 C ATOM 1499 C VAL A 98 -5.621 13.042 0.413 1.00 0.00 C ATOM 1500 O VAL A 98 -5.636 12.615 -0.734 1.00 0.00 O ATOM 1501 CB VAL A 98 -5.507 15.559 0.808 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -4.146 15.370 1.494 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -5.236 16.001 -0.638 1.00 0.00 C ATOM 0 H VAL A 98 -6.844 14.681 2.822 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.144 14.507 0.024 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.060 16.302 1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.587 16.305 1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.300 15.080 2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.584 14.591 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.606 16.891 -0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.729 15.199 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.181 16.227 -1.132 1.00 0.00 H new ATOM 1513 N SER A 99 -5.004 12.395 1.399 1.00 0.00 N ATOM 1514 CA SER A 99 -4.293 11.151 1.189 1.00 0.00 C ATOM 1515 C SER A 99 -5.241 10.061 0.647 1.00 0.00 C ATOM 1516 O SER A 99 -4.773 9.141 -0.015 1.00 0.00 O ATOM 1517 CB SER A 99 -3.568 10.772 2.490 1.00 0.00 C ATOM 1518 OG SER A 99 -3.029 11.911 3.134 1.00 0.00 O ATOM 0 H SER A 99 -4.987 12.724 2.364 1.00 0.00 H new ATOM 0 HA SER A 99 -3.530 11.264 0.418 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.263 10.268 3.161 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.768 10.065 2.269 1.00 0.00 H new ATOM 0 HG SER A 99 -3.714 12.319 3.705 1.00 0.00 H new ATOM 1524 N GLY A 100 -6.556 10.177 0.879 1.00 0.00 N ATOM 1525 CA GLY A 100 -7.599 9.331 0.322 1.00 0.00 C ATOM 1526 C GLY A 100 -7.794 9.612 -1.165 1.00 0.00 C ATOM 1527 O GLY A 100 -7.697 8.679 -1.957 1.00 0.00 O ATOM 0 H GLY A 100 -6.930 10.902 1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.338 8.283 0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.535 9.503 0.854 1.00 0.00 H new ATOM 1531 N GLU A 101 -8.011 10.869 -1.580 1.00 0.00 N ATOM 1532 CA GLU A 101 -8.147 11.177 -3.012 1.00 0.00 C ATOM 1533 C GLU A 101 -6.852 10.891 -3.790 1.00 0.00 C ATOM 1534 O GLU A 101 -6.889 10.589 -4.986 1.00 0.00 O ATOM 1535 CB GLU A 101 -8.640 12.605 -3.293 1.00 0.00 C ATOM 1536 CG GLU A 101 -7.743 13.722 -2.755 1.00 0.00 C ATOM 1537 CD GLU A 101 -7.842 15.033 -3.538 1.00 0.00 C ATOM 1538 OE1 GLU A 101 -8.963 15.524 -3.809 1.00 0.00 O ATOM 1539 OE2 GLU A 101 -6.794 15.602 -3.923 1.00 0.00 O ATOM 0 H GLU A 101 -8.095 11.674 -0.959 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.923 10.502 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.743 12.731 -4.371 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.635 12.720 -2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.003 13.912 -1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -6.708 13.381 -2.768 1.00 0.00 H new ATOM 1546 N GLN A 102 -5.708 10.970 -3.115 1.00 0.00 N ATOM 1547 CA GLN A 102 -4.418 10.575 -3.654 1.00 0.00 C ATOM 1548 C GLN A 102 -4.393 9.061 -3.857 1.00 0.00 C ATOM 1549 O GLN A 102 -4.019 8.597 -4.933 1.00 0.00 O ATOM 1550 CB GLN A 102 -3.295 11.072 -2.732 1.00 0.00 C ATOM 1551 CG GLN A 102 -3.128 12.590 -2.893 1.00 0.00 C ATOM 1552 CD GLN A 102 -2.128 13.236 -1.951 1.00 0.00 C ATOM 1553 OE1 GLN A 102 -2.120 12.999 -0.747 1.00 0.00 O ATOM 1554 NE2 GLN A 102 -1.259 14.083 -2.470 1.00 0.00 N ATOM 0 H GLN A 102 -5.655 11.318 -2.158 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.255 11.035 -4.629 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.528 10.830 -1.695 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.361 10.566 -2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -2.823 12.799 -3.919 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.099 13.063 -2.746 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.271 14.276 -3.472 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.576 14.545 -1.870 1.00 0.00 H new ATOM 1563 N LEU A 103 -4.847 8.278 -2.873 1.00 0.00 N ATOM 1564 CA LEU A 103 -4.966 6.841 -3.042 1.00 0.00 C ATOM 1565 C LEU A 103 -5.976 6.500 -4.134 1.00 0.00 C ATOM 1566 O LEU A 103 -5.768 5.530 -4.849 1.00 0.00 O ATOM 1567 CB LEU A 103 -5.340 6.159 -1.713 1.00 0.00 C ATOM 1568 CG LEU A 103 -4.677 4.786 -1.516 1.00 0.00 C ATOM 1569 CD1 LEU A 103 -3.151 4.784 -1.623 1.00 0.00 C ATOM 1570 CD2 LEU A 103 -5.042 4.246 -0.131 1.00 0.00 C ATOM 0 H LEU A 103 -5.135 8.621 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.994 6.459 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.056 6.812 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.423 6.040 -1.668 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.054 4.166 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.777 3.772 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.855 5.134 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.732 5.444 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.575 3.272 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.687 4.937 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.124 4.144 -0.054 1.00 0.00 H new ATOM 1582 N SER A 104 -7.047 7.277 -4.288 1.00 0.00 N ATOM 1583 CA SER A 104 -8.108 7.090 -5.278 1.00 0.00 C ATOM 1584 C SER A 104 -7.543 7.090 -6.702 1.00 0.00 C ATOM 1585 O SER A 104 -7.951 6.274 -7.525 1.00 0.00 O ATOM 1586 CB SER A 104 -9.142 8.208 -5.114 1.00 0.00 C ATOM 1587 OG SER A 104 -10.334 7.951 -5.830 1.00 0.00 O ATOM 0 H SER A 104 -7.207 8.093 -3.698 1.00 0.00 H new ATOM 0 HA SER A 104 -8.581 6.122 -5.113 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.376 8.330 -4.056 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.712 9.149 -5.456 1.00 0.00 H new ATOM 0 HG SER A 104 -10.963 8.690 -5.694 1.00 0.00 H new ATOM 1593 N GLN A 105 -6.551 7.941 -6.997 1.00 0.00 N ATOM 1594 CA GLN A 105 -5.846 7.917 -8.283 1.00 0.00 C ATOM 1595 C GLN A 105 -5.259 6.522 -8.567 1.00 0.00 C ATOM 1596 O GLN A 105 -5.055 6.157 -9.727 1.00 0.00 O ATOM 1597 CB GLN A 105 -4.740 8.986 -8.279 1.00 0.00 C ATOM 1598 CG GLN A 105 -5.272 10.426 -8.305 1.00 0.00 C ATOM 1599 CD GLN A 105 -4.142 11.456 -8.280 1.00 0.00 C ATOM 1600 OE1 GLN A 105 -3.416 11.630 -9.261 1.00 0.00 O ATOM 1601 NE2 GLN A 105 -3.965 12.194 -7.197 1.00 0.00 N ATOM 0 H GLN A 105 -6.217 8.660 -6.355 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.556 8.140 -9.079 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.122 8.853 -7.391 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -4.094 8.831 -9.143 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.876 10.573 -9.200 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -5.927 10.586 -7.448 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.562 12.055 -6.382 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.231 12.902 -7.177 1.00 0.00 H new ATOM 1610 N LEU A 106 -5.027 5.730 -7.522 1.00 0.00 N ATOM 1611 CA LEU A 106 -4.429 4.407 -7.499 1.00 0.00 C ATOM 1612 C LEU A 106 -5.440 3.375 -6.969 1.00 0.00 C ATOM 1613 O LEU A 106 -5.051 2.384 -6.351 1.00 0.00 O ATOM 1614 CB LEU A 106 -3.172 4.425 -6.612 1.00 0.00 C ATOM 1615 CG LEU A 106 -2.153 5.547 -6.868 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -1.223 5.652 -5.661 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -1.340 5.278 -8.137 1.00 0.00 C ATOM 0 H LEU A 106 -5.280 6.033 -6.581 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.147 4.124 -8.513 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.492 4.489 -5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.661 3.470 -6.730 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.688 6.486 -7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.495 6.445 -5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.808 5.881 -4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.702 4.705 -5.520 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.628 6.089 -8.292 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.801 4.337 -8.031 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.012 5.217 -8.993 1.00 0.00 H new ATOM 1629 N THR A 107 -6.743 3.571 -7.194 1.00 0.00 N ATOM 1630 CA THR A 107 -7.814 2.630 -6.834 1.00 0.00 C ATOM 1631 C THR A 107 -8.000 2.445 -5.318 1.00 0.00 C ATOM 1632 O THR A 107 -8.553 1.442 -4.878 1.00 0.00 O ATOM 1633 CB THR A 107 -7.712 1.315 -7.645 1.00 0.00 C ATOM 1634 OG1 THR A 107 -6.584 0.515 -7.351 1.00 0.00 O ATOM 1635 CG2 THR A 107 -7.566 1.584 -9.139 1.00 0.00 C ATOM 0 H THR A 107 -7.095 4.415 -7.646 1.00 0.00 H new ATOM 0 HA THR A 107 -8.754 3.090 -7.137 1.00 0.00 H new ATOM 0 HB THR A 107 -8.634 0.803 -7.369 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.058 0.939 -6.641 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.497 0.637 -9.674 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.433 2.140 -9.495 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.663 2.168 -9.317 1.00 0.00 H new ATOM 1643 N GLY A 108 -7.507 3.397 -4.523 1.00 0.00 N ATOM 1644 CA GLY A 108 -7.628 3.489 -3.073 1.00 0.00 C ATOM 1645 C GLY A 108 -6.979 2.337 -2.308 1.00 0.00 C ATOM 1646 O GLY A 108 -7.228 2.194 -1.111 1.00 0.00 O ATOM 0 H GLY A 108 -6.975 4.178 -4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.180 4.426 -2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.685 3.532 -2.811 1.00 0.00 H new ATOM 1650 N VAL A 109 -6.114 1.548 -2.948 1.00 0.00 N ATOM 1651 CA VAL A 109 -5.303 0.538 -2.290 1.00 0.00 C ATOM 1652 C VAL A 109 -3.941 0.523 -2.977 1.00 0.00 C ATOM 1653 O VAL A 109 -3.850 0.356 -4.197 1.00 0.00 O ATOM 1654 CB VAL A 109 -6.039 -0.819 -2.282 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -6.317 -1.380 -3.680 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -5.289 -1.866 -1.446 1.00 0.00 C ATOM 0 H VAL A 109 -5.959 1.599 -3.955 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.136 0.765 -1.237 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.005 -0.611 -1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.836 -2.334 -3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.939 -0.679 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.374 -1.527 -4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.838 -2.808 -1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.293 -2.018 -1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.203 -1.516 -0.417 1.00 0.00 H new ATOM 1666 N ALA A 110 -2.877 0.710 -2.204 1.00 0.00 N ATOM 1667 CA ALA A 110 -1.509 0.606 -2.684 1.00 0.00 C ATOM 1668 C ALA A 110 -0.630 0.083 -1.559 1.00 0.00 C ATOM 1669 O ALA A 110 -1.114 -0.103 -0.446 1.00 0.00 O ATOM 1670 CB ALA A 110 -1.042 1.960 -3.227 1.00 0.00 C ATOM 0 H ALA A 110 -2.944 0.941 -1.213 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.442 -0.101 -3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -0.016 1.874 -3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.689 2.265 -4.050 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.088 2.706 -2.433 1.00 0.00 H new ATOM 1676 N ALA A 111 0.644 -0.201 -1.815 1.00 0.00 N ATOM 1677 CA ALA A 111 1.542 -0.692 -0.785 1.00 0.00 C ATOM 1678 C ALA A 111 2.997 -0.574 -1.232 1.00 0.00 C ATOM 1679 O ALA A 111 3.308 -0.785 -2.408 1.00 0.00 O ATOM 1680 CB ALA A 111 1.181 -2.149 -0.492 1.00 0.00 C ATOM 0 H ALA A 111 1.075 -0.097 -2.733 1.00 0.00 H new ATOM 0 HA ALA A 111 1.432 -0.093 0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.844 -2.540 0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.149 -2.206 -0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.293 -2.741 -1.400 1.00 0.00 H new ATOM 1686 N ILE A 112 3.903 -0.317 -0.289 1.00 0.00 N ATOM 1687 CA ILE A 112 5.331 -0.212 -0.536 1.00 0.00 C ATOM 1688 C ILE A 112 5.914 -1.623 -0.522 1.00 0.00 C ATOM 1689 O ILE A 112 5.388 -2.518 0.151 1.00 0.00 O ATOM 1690 CB ILE A 112 5.988 0.712 0.522 1.00 0.00 C ATOM 1691 CG1 ILE A 112 5.417 2.144 0.407 1.00 0.00 C ATOM 1692 CG2 ILE A 112 7.516 0.709 0.358 1.00 0.00 C ATOM 1693 CD1 ILE A 112 6.060 3.192 1.330 1.00 0.00 C ATOM 0 H ILE A 112 3.653 -0.173 0.689 1.00 0.00 H new ATOM 0 HA ILE A 112 5.531 0.240 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 112 5.756 0.333 1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.527 2.478 -0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.348 2.108 0.618 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.964 1.362 1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.894 -0.305 0.488 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.776 1.068 -0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.585 4.160 1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.927 2.892 2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.124 3.268 1.108 1.00 0.00 H new ATOM 1705 N LEU A 113 7.011 -1.824 -1.249 1.00 0.00 N ATOM 1706 CA LEU A 113 7.755 -3.068 -1.253 1.00 0.00 C ATOM 1707 C LEU A 113 9.143 -2.839 -0.678 1.00 0.00 C ATOM 1708 O LEU A 113 9.781 -1.811 -0.912 1.00 0.00 O ATOM 1709 CB LEU A 113 7.874 -3.633 -2.672 1.00 0.00 C ATOM 1710 CG LEU A 113 6.526 -3.946 -3.338 1.00 0.00 C ATOM 1711 CD1 LEU A 113 6.613 -4.153 -4.849 1.00 0.00 C ATOM 1712 CD2 LEU A 113 5.924 -5.206 -2.742 1.00 0.00 C ATOM 0 H LEU A 113 7.409 -1.111 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 113 7.217 -3.790 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.416 -2.918 -3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.471 -4.544 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 113 5.906 -3.069 -3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.621 -4.370 -5.244 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.001 -3.249 -5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.279 -4.988 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.969 -5.416 -3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.603 -6.044 -2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.768 -5.064 -1.673 1.00 0.00 H new ATOM 1724 N ARG A 114 9.632 -3.861 0.015 1.00 0.00 N ATOM 1725 CA ARG A 114 11.022 -4.013 0.405 1.00 0.00 C ATOM 1726 C ARG A 114 11.891 -4.165 -0.829 1.00 0.00 C ATOM 1727 O ARG A 114 12.915 -3.501 -0.930 1.00 0.00 O ATOM 1728 CB ARG A 114 11.169 -5.254 1.290 1.00 0.00 C ATOM 1729 CG ARG A 114 10.478 -5.074 2.642 1.00 0.00 C ATOM 1730 CD ARG A 114 10.721 -6.311 3.498 1.00 0.00 C ATOM 1731 NE ARG A 114 10.495 -6.018 4.917 1.00 0.00 N ATOM 1732 CZ ARG A 114 11.200 -6.485 5.949 1.00 0.00 C ATOM 1733 NH1 ARG A 114 12.195 -7.350 5.794 1.00 0.00 N ATOM 1734 NH2 ARG A 114 10.899 -6.041 7.158 1.00 0.00 N ATOM 0 H ARG A 114 9.046 -4.634 0.331 1.00 0.00 H new ATOM 0 HA ARG A 114 11.339 -3.129 0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 114 10.745 -6.118 0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 114 12.227 -5.464 1.448 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.863 -4.187 3.146 1.00 0.00 H new ATOM 0 HG3 ARG A 114 9.408 -4.920 2.499 1.00 0.00 H new ATOM 0 HD2 ARG A 114 10.058 -7.115 3.179 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.742 -6.663 3.353 1.00 0.00 H new ATOM 0 HE ARG A 114 9.719 -5.393 5.138 1.00 0.00 H new ATOM 0 HH11 ARG A 114 12.443 -7.680 4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 114 12.711 -7.685 6.608 1.00 0.00 H new ATOM 0 HH21 ARG A 114 10.148 -5.362 7.280 1.00 0.00 H new ATOM 0 HH22 ARG A 114 11.418 -6.378 7.969 1.00 0.00 H new ATOM 1748 N PHE A 115 11.485 -5.018 -1.766 1.00 0.00 N ATOM 1749 CA PHE A 115 12.272 -5.456 -2.901 1.00 0.00 C ATOM 1750 C PHE A 115 11.377 -5.484 -4.137 1.00 0.00 C ATOM 1751 O PHE A 115 10.161 -5.631 -3.999 1.00 0.00 O ATOM 1752 CB PHE A 115 12.907 -6.824 -2.599 1.00 0.00 C ATOM 1753 CG PHE A 115 12.017 -7.900 -2.004 1.00 0.00 C ATOM 1754 CD1 PHE A 115 11.165 -8.679 -2.813 1.00 0.00 C ATOM 1755 CD2 PHE A 115 12.123 -8.183 -0.630 1.00 0.00 C ATOM 1756 CE1 PHE A 115 10.468 -9.763 -2.246 1.00 0.00 C ATOM 1757 CE2 PHE A 115 11.426 -9.265 -0.071 1.00 0.00 C ATOM 1758 CZ PHE A 115 10.602 -10.060 -0.880 1.00 0.00 C ATOM 0 H PHE A 115 10.556 -5.438 -1.748 1.00 0.00 H new ATOM 0 HA PHE A 115 13.091 -4.764 -3.095 1.00 0.00 H new ATOM 0 HB2 PHE A 115 13.326 -7.211 -3.528 1.00 0.00 H new ATOM 0 HB3 PHE A 115 13.741 -6.663 -1.916 1.00 0.00 H new ATOM 0 HD1 PHE A 115 11.048 -8.446 -3.861 1.00 0.00 H new ATOM 0 HD2 PHE A 115 12.745 -7.563 -0.001 1.00 0.00 H new ATOM 0 HE1 PHE A 115 9.826 -10.371 -2.866 1.00 0.00 H new ATOM 0 HE2 PHE A 115 11.524 -9.485 0.982 1.00 0.00 H new ATOM 0 HZ PHE A 115 10.072 -10.899 -0.454 1.00 0.00 H new ATOM 1768 N PRO A 116 11.948 -5.313 -5.336 1.00 0.00 N ATOM 1769 CA PRO A 116 11.191 -5.201 -6.565 1.00 0.00 C ATOM 1770 C PRO A 116 10.584 -6.559 -6.903 1.00 0.00 C ATOM 1771 O PRO A 116 11.297 -7.565 -6.983 1.00 0.00 O ATOM 1772 CB PRO A 116 12.188 -4.711 -7.612 1.00 0.00 C ATOM 1773 CG PRO A 116 13.529 -5.231 -7.111 1.00 0.00 C ATOM 1774 CD PRO A 116 13.372 -5.260 -5.598 1.00 0.00 C ATOM 0 HA PRO A 116 10.354 -4.505 -6.502 1.00 0.00 H new ATOM 0 HB2 PRO A 116 11.952 -5.102 -8.602 1.00 0.00 H new ATOM 0 HB3 PRO A 116 12.185 -3.624 -7.689 1.00 0.00 H new ATOM 0 HG2 PRO A 116 13.746 -6.222 -7.509 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.348 -4.579 -7.415 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.878 -6.126 -5.171 1.00 0.00 H new ATOM 0 HD3 PRO A 116 13.818 -4.375 -5.144 1.00 0.00 H new ATOM 1782 N VAL A 117 9.267 -6.609 -7.071 1.00 0.00 N ATOM 1783 CA VAL A 117 8.592 -7.857 -7.399 1.00 0.00 C ATOM 1784 C VAL A 117 8.813 -8.110 -8.902 1.00 0.00 C ATOM 1785 O VAL A 117 8.574 -7.202 -9.706 1.00 0.00 O ATOM 1786 CB VAL A 117 7.109 -7.760 -7.003 1.00 0.00 C ATOM 1787 CG1 VAL A 117 6.294 -8.992 -7.427 1.00 0.00 C ATOM 1788 CG2 VAL A 117 6.925 -7.618 -5.483 1.00 0.00 C ATOM 0 H VAL A 117 8.649 -5.802 -6.986 1.00 0.00 H new ATOM 0 HA VAL A 117 8.993 -8.706 -6.845 1.00 0.00 H new ATOM 0 HB VAL A 117 6.748 -6.874 -7.525 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.256 -8.865 -7.120 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.341 -9.104 -8.510 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.706 -9.882 -6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.862 -7.553 -5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.354 -8.486 -4.982 1.00 0.00 H new ATOM 0 HG23 VAL A 117 7.428 -6.715 -5.138 1.00 0.00 H new ATOM 1798 N PRO A 118 9.233 -9.321 -9.323 1.00 0.00 N ATOM 1799 CA PRO A 118 9.488 -9.657 -10.722 1.00 0.00 C ATOM 1800 C PRO A 118 8.181 -9.900 -11.498 1.00 0.00 C ATOM 1801 O PRO A 118 8.034 -10.921 -12.171 1.00 0.00 O ATOM 1802 CB PRO A 118 10.399 -10.894 -10.661 1.00 0.00 C ATOM 1803 CG PRO A 118 9.896 -11.622 -9.422 1.00 0.00 C ATOM 1804 CD PRO A 118 9.559 -10.465 -8.482 1.00 0.00 C ATOM 0 HA PRO A 118 9.966 -8.844 -11.269 1.00 0.00 H new ATOM 0 HB2 PRO A 118 10.307 -11.509 -11.557 1.00 0.00 H new ATOM 0 HB3 PRO A 118 11.450 -10.619 -10.570 1.00 0.00 H new ATOM 0 HG2 PRO A 118 9.023 -12.238 -9.638 1.00 0.00 H new ATOM 0 HG3 PRO A 118 10.655 -12.281 -9.001 1.00 0.00 H new ATOM 0 HD2 PRO A 118 8.719 -10.723 -7.837 1.00 0.00 H new ATOM 0 HD3 PRO A 118 10.403 -10.238 -7.830 1.00 0.00 H new ATOM 1812 N SER A 119 7.206 -8.996 -11.390 1.00 0.00 N ATOM 1813 CA SER A 119 5.963 -9.074 -12.133 1.00 0.00 C ATOM 1814 C SER A 119 5.403 -7.663 -12.321 1.00 0.00 C ATOM 1815 O SER A 119 4.640 -7.162 -11.489 1.00 0.00 O ATOM 1816 CB SER A 119 5.003 -10.060 -11.442 1.00 0.00 C ATOM 1817 OG SER A 119 4.109 -10.626 -12.378 1.00 0.00 O ATOM 0 H SER A 119 7.265 -8.184 -10.776 1.00 0.00 H new ATOM 0 HA SER A 119 6.121 -9.475 -13.134 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.574 -10.850 -10.954 1.00 0.00 H new ATOM 0 HB3 SER A 119 4.443 -9.544 -10.663 1.00 0.00 H new ATOM 0 HG SER A 119 3.508 -11.251 -11.920 1.00 0.00 H new ATOM 1823 N GLY A 120 5.807 -7.013 -13.412 1.00 0.00 N ATOM 1824 CA GLY A 120 5.289 -5.730 -13.860 1.00 0.00 C ATOM 1825 C GLY A 120 5.696 -5.513 -15.321 1.00 0.00 C ATOM 1826 O GLY A 120 6.818 -5.878 -15.682 1.00 0.00 O ATOM 0 H GLY A 120 6.531 -7.383 -14.028 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.203 -5.707 -13.764 1.00 0.00 H new ATOM 0 HA3 GLY A 120 5.681 -4.927 -13.236 1.00 0.00 H new ATOM 1830 N PRO A 121 4.817 -4.977 -16.189 1.00 0.00 N ATOM 1831 CA PRO A 121 5.108 -4.824 -17.611 1.00 0.00 C ATOM 1832 C PRO A 121 5.886 -3.533 -17.905 1.00 0.00 C ATOM 1833 O PRO A 121 6.734 -3.509 -18.797 1.00 0.00 O ATOM 1834 CB PRO A 121 3.729 -4.811 -18.274 1.00 0.00 C ATOM 1835 CG PRO A 121 2.827 -4.152 -17.232 1.00 0.00 C ATOM 1836 CD PRO A 121 3.438 -4.604 -15.905 1.00 0.00 C ATOM 0 HA PRO A 121 5.746 -5.624 -17.987 1.00 0.00 H new ATOM 0 HB2 PRO A 121 3.740 -4.248 -19.207 1.00 0.00 H new ATOM 0 HB3 PRO A 121 3.392 -5.819 -18.514 1.00 0.00 H new ATOM 0 HG2 PRO A 121 2.829 -3.066 -17.327 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.792 -4.479 -17.331 1.00 0.00 H new ATOM 0 HD2 PRO A 121 3.397 -3.803 -15.167 1.00 0.00 H new ATOM 0 HD3 PRO A 121 2.886 -5.448 -15.491 1.00 0.00 H new ATOM 1844 N SER A 122 5.596 -2.458 -17.168 1.00 0.00 N ATOM 1845 CA SER A 122 6.195 -1.138 -17.308 1.00 0.00 C ATOM 1846 C SER A 122 5.927 -0.347 -16.032 1.00 0.00 C ATOM 1847 O SER A 122 6.832 0.303 -15.507 1.00 0.00 O ATOM 1848 CB SER A 122 5.592 -0.425 -18.533 1.00 0.00 C ATOM 1849 OG SER A 122 6.446 0.583 -19.051 1.00 0.00 O ATOM 0 H SER A 122 4.902 -2.491 -16.421 1.00 0.00 H new ATOM 0 HA SER A 122 7.271 -1.221 -17.459 1.00 0.00 H new ATOM 0 HB2 SER A 122 5.388 -1.159 -19.312 1.00 0.00 H new ATOM 0 HB3 SER A 122 4.636 0.020 -18.256 1.00 0.00 H new ATOM 0 HG SER A 122 6.021 1.005 -19.827 1.00 0.00 H new ATOM 1855 N SER A 123 4.691 -0.424 -15.526 1.00 0.00 N ATOM 1856 CA SER A 123 4.160 0.343 -14.412 1.00 0.00 C ATOM 1857 C SER A 123 4.025 1.821 -14.776 1.00 0.00 C ATOM 1858 O SER A 123 2.899 2.319 -14.887 1.00 0.00 O ATOM 1859 CB SER A 123 4.917 0.039 -13.110 1.00 0.00 C ATOM 1860 OG SER A 123 4.825 -1.350 -12.819 1.00 0.00 O ATOM 0 H SER A 123 3.999 -1.065 -15.913 1.00 0.00 H new ATOM 0 HA SER A 123 3.139 0.023 -14.203 1.00 0.00 H new ATOM 0 HB2 SER A 123 5.962 0.332 -13.208 1.00 0.00 H new ATOM 0 HB3 SER A 123 4.498 0.622 -12.289 1.00 0.00 H new ATOM 0 HG SER A 123 5.310 -1.543 -11.989 1.00 0.00 H new ATOM 1866 N GLY A 124 5.130 2.506 -15.046 1.00 0.00 N ATOM 1867 CA GLY A 124 5.147 3.770 -15.748 1.00 0.00 C ATOM 1868 C GLY A 124 6.260 3.674 -16.753 1.00 0.00 C ATOM 1869 O GLY A 124 7.183 4.508 -16.633 1.00 0.00 O ATOM 0 H GLY A 124 6.059 2.184 -14.773 1.00 0.00 H new ATOM 0 HA2 GLY A 124 4.192 3.955 -16.240 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.315 4.597 -15.058 1.00 0.00 H new TER 1873 GLY A 124