USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 767 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 89 HIS : no HD1:sc= -0.736 X(o=-1.7,f=-1.3) USER MOD Set 1.2: A 93 SER OG : rot -96:sc= -0.948 USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN : amide:sc=-0.00444 X(o=-0.0044,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.457 USER MOD Single : A 3 SER OG : rot 36:sc= 0.22 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 20:sc= 0.903 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.0916 K(o=0.092,f=-4.6!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN :FLIP amide:sc= -5.89! C(o=-7.1!,f=-5.9!) USER MOD Single : A 28 GLN : amide:sc= -0.0204 X(o=-0.02,f=-0.44) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -8.31! C(o=-8.3!,f=-8.8!) USER MOD Single : A 49 SER OG : rot -74:sc= 1.21 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.37 USER MOD Single : A 58 HIS : no HD1:sc= -0.624 K(o=-0.62,f=-1.7) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -130:sc= 1.22 USER MOD Single : A 74 HIS : no HE2:sc= -0.0684! C(o=-0.068!,f=-5.2!) USER MOD Single : A 76 ASN : amide:sc= 0.0361 X(o=0.036,f=-0.029) USER MOD Single : A 79 HIS : no HE2:sc= -9.18! C(o=-9.2!,f=-15!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.4) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.185 X(o=-0.19,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.405 36.026 0.399 1.00 0.00 N ATOM 2 CA GLY A 1 -15.750 35.752 0.872 1.00 0.00 C ATOM 3 C GLY A 1 -16.495 34.785 -0.027 1.00 0.00 C ATOM 4 O GLY A 1 -16.876 33.696 0.402 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.938 36.692 1.047 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.862 35.140 0.363 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.450 36.443 -0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.701 35.341 1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.307 36.687 0.936 1.00 0.00 H new ATOM 8 N SER A 2 -16.705 35.185 -1.278 1.00 0.00 N ATOM 9 CA SER A 2 -17.415 34.348 -2.238 1.00 0.00 C ATOM 10 C SER A 2 -16.453 33.775 -3.274 1.00 0.00 C ATOM 11 O SER A 2 -16.331 32.558 -3.418 1.00 0.00 O ATOM 12 CB SER A 2 -18.513 35.154 -2.935 1.00 0.00 C ATOM 13 OG SER A 2 -17.957 36.148 -3.779 1.00 0.00 O ATOM 0 H SER A 2 -16.394 36.082 -1.650 1.00 0.00 H new ATOM 0 HA SER A 2 -17.871 33.521 -1.695 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.143 34.485 -3.521 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.154 35.623 -2.189 1.00 0.00 H new ATOM 0 HG SER A 2 -18.678 36.648 -4.214 1.00 0.00 H new ATOM 19 N SER A 3 -15.772 34.661 -3.994 1.00 0.00 N ATOM 20 CA SER A 3 -14.823 34.244 -5.020 1.00 0.00 C ATOM 21 C SER A 3 -13.847 33.209 -4.470 1.00 0.00 C ATOM 22 O SER A 3 -13.185 33.440 -3.459 1.00 0.00 O ATOM 23 CB SER A 3 -14.054 35.454 -5.555 1.00 0.00 C ATOM 24 OG SER A 3 -13.281 36.059 -4.533 1.00 0.00 O ATOM 0 H SER A 3 -15.860 35.671 -3.886 1.00 0.00 H new ATOM 0 HA SER A 3 -15.385 33.789 -5.836 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.403 35.143 -6.372 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.754 36.182 -5.965 1.00 0.00 H new ATOM 0 HG SER A 3 -12.927 35.366 -3.937 1.00 0.00 H new ATOM 30 N GLY A 4 -13.764 32.066 -5.144 1.00 0.00 N ATOM 31 CA GLY A 4 -12.867 31.012 -4.708 1.00 0.00 C ATOM 32 C GLY A 4 -13.252 30.445 -3.356 1.00 0.00 C ATOM 33 O GLY A 4 -14.142 30.968 -2.686 1.00 0.00 O ATOM 0 H GLY A 4 -14.302 31.851 -5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.866 30.211 -5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.850 31.402 -4.659 1.00 0.00 H new ATOM 37 N SER A 5 -12.580 29.371 -2.954 1.00 0.00 N ATOM 38 CA SER A 5 -12.861 28.728 -1.675 1.00 0.00 C ATOM 39 C SER A 5 -11.651 28.810 -0.749 1.00 0.00 C ATOM 40 O SER A 5 -10.584 29.281 -1.143 1.00 0.00 O ATOM 41 CB SER A 5 -13.255 27.266 -1.890 1.00 0.00 C ATOM 42 OG SER A 5 -12.291 26.588 -2.676 1.00 0.00 O ATOM 0 H SER A 5 -11.837 28.928 -3.495 1.00 0.00 H new ATOM 0 HA SER A 5 -13.692 29.255 -1.206 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.358 26.768 -0.926 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.228 27.217 -2.379 1.00 0.00 H new ATOM 0 HG SER A 5 -12.565 25.655 -2.797 1.00 0.00 H new ATOM 48 N SER A 6 -11.825 28.347 0.485 1.00 0.00 N ATOM 49 CA SER A 6 -10.750 28.370 1.469 1.00 0.00 C ATOM 50 C SER A 6 -9.579 27.503 1.015 1.00 0.00 C ATOM 51 O SER A 6 -8.464 27.992 0.834 1.00 0.00 O ATOM 52 CB SER A 6 -11.262 27.884 2.826 1.00 0.00 C ATOM 53 OG SER A 6 -10.286 28.074 3.837 1.00 0.00 O ATOM 0 H SER A 6 -12.701 27.951 0.827 1.00 0.00 H new ATOM 0 HA SER A 6 -10.402 29.398 1.566 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.172 28.423 3.089 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.524 26.828 2.763 1.00 0.00 H new ATOM 0 HG SER A 6 -10.638 27.757 4.695 1.00 0.00 H new ATOM 59 N GLY A 7 -9.841 26.213 0.832 1.00 0.00 N ATOM 60 CA GLY A 7 -8.801 25.298 0.401 1.00 0.00 C ATOM 61 C GLY A 7 -9.305 23.876 0.249 1.00 0.00 C ATOM 62 O GLY A 7 -10.313 23.501 0.848 1.00 0.00 O ATOM 0 H GLY A 7 -10.756 25.785 0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.393 25.639 -0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.984 25.315 1.123 1.00 0.00 H new ATOM 66 N SER A 8 -8.603 23.084 -0.555 1.00 0.00 N ATOM 67 CA SER A 8 -8.989 21.697 -0.789 1.00 0.00 C ATOM 68 C SER A 8 -7.803 20.881 -1.294 1.00 0.00 C ATOM 69 O SER A 8 -7.002 21.361 -2.096 1.00 0.00 O ATOM 70 CB SER A 8 -10.137 21.628 -1.797 1.00 0.00 C ATOM 71 OG SER A 8 -11.368 21.988 -1.195 1.00 0.00 O ATOM 0 H SER A 8 -7.764 23.379 -1.055 1.00 0.00 H new ATOM 0 HA SER A 8 -9.322 21.273 0.159 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.930 22.294 -2.635 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.209 20.619 -2.203 1.00 0.00 H new ATOM 0 HG SER A 8 -11.195 22.499 -0.377 1.00 0.00 H new ATOM 77 N ASP A 9 -7.698 19.646 -0.818 1.00 0.00 N ATOM 78 CA ASP A 9 -6.611 18.761 -1.221 1.00 0.00 C ATOM 79 C ASP A 9 -6.890 18.144 -2.588 1.00 0.00 C ATOM 80 O ASP A 9 -8.022 18.172 -3.072 1.00 0.00 O ATOM 81 CB ASP A 9 -6.411 17.657 -0.181 1.00 0.00 C ATOM 82 CG ASP A 9 -7.723 17.136 0.370 1.00 0.00 C ATOM 83 OD1 ASP A 9 -8.240 17.735 1.336 1.00 0.00 O ATOM 84 OD2 ASP A 9 -8.233 16.129 -0.164 1.00 0.00 O ATOM 0 H ASP A 9 -8.352 19.234 -0.152 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.699 19.355 -1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.857 16.834 -0.632 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.803 18.040 0.638 1.00 0.00 H new ATOM 89 N ASP A 10 -5.853 17.590 -3.205 1.00 0.00 N ATOM 90 CA ASP A 10 -5.986 16.967 -4.516 1.00 0.00 C ATOM 91 C ASP A 10 -5.852 15.451 -4.413 1.00 0.00 C ATOM 92 O ASP A 10 -5.221 14.815 -5.257 1.00 0.00 O ATOM 93 CB ASP A 10 -4.933 17.520 -5.477 1.00 0.00 C ATOM 94 CG ASP A 10 -4.959 19.034 -5.556 1.00 0.00 C ATOM 95 OD1 ASP A 10 -5.772 19.573 -6.336 1.00 0.00 O ATOM 96 OD2 ASP A 10 -4.167 19.680 -4.838 1.00 0.00 O ATOM 0 H ASP A 10 -4.910 17.560 -2.818 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.978 17.201 -4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.944 17.193 -5.155 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.099 17.104 -6.471 1.00 0.00 H new ATOM 101 N ALA A 11 -6.450 14.878 -3.373 1.00 0.00 N ATOM 102 CA ALA A 11 -6.398 13.437 -3.161 1.00 0.00 C ATOM 103 C ALA A 11 -6.874 12.682 -4.397 1.00 0.00 C ATOM 104 O ALA A 11 -6.292 11.666 -4.778 1.00 0.00 O ATOM 105 CB ALA A 11 -7.236 13.052 -1.950 1.00 0.00 C ATOM 0 H ALA A 11 -6.976 15.390 -2.665 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.360 13.159 -2.976 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.189 11.973 -1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.849 13.556 -1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.271 13.351 -2.114 1.00 0.00 H new ATOM 111 N ARG A 12 -7.934 13.185 -5.021 1.00 0.00 N ATOM 112 CA ARG A 12 -8.489 12.557 -6.213 1.00 0.00 C ATOM 113 C ARG A 12 -7.452 12.502 -7.331 1.00 0.00 C ATOM 114 O ARG A 12 -7.498 11.623 -8.192 1.00 0.00 O ATOM 115 CB ARG A 12 -9.727 13.319 -6.689 1.00 0.00 C ATOM 116 CG ARG A 12 -11.018 12.850 -6.038 1.00 0.00 C ATOM 117 CD ARG A 12 -11.649 11.705 -6.814 1.00 0.00 C ATOM 118 NE ARG A 12 -12.304 12.167 -8.036 1.00 0.00 N ATOM 119 CZ ARG A 12 -13.526 12.687 -8.063 1.00 0.00 C ATOM 120 NH1 ARG A 12 -14.222 12.812 -6.941 1.00 0.00 N ATOM 121 NH2 ARG A 12 -14.054 13.084 -9.213 1.00 0.00 N ATOM 0 H ARG A 12 -8.426 14.026 -4.720 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.776 11.537 -5.955 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.591 14.381 -6.483 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.816 13.212 -7.770 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.816 12.530 -5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.720 13.682 -5.979 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.882 10.973 -7.068 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.377 11.197 -6.182 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.795 12.086 -8.916 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.819 12.509 -6.054 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -15.160 13.212 -6.965 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.522 12.990 -10.078 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.992 13.483 -9.232 1.00 0.00 H new ATOM 135 N ARG A 13 -6.518 13.448 -7.312 1.00 0.00 N ATOM 136 CA ARG A 13 -5.471 13.508 -8.325 1.00 0.00 C ATOM 137 C ARG A 13 -4.336 12.545 -7.991 1.00 0.00 C ATOM 138 O ARG A 13 -3.164 12.924 -7.995 1.00 0.00 O ATOM 139 CB ARG A 13 -4.927 14.933 -8.442 1.00 0.00 C ATOM 140 CG ARG A 13 -5.711 15.807 -9.407 1.00 0.00 C ATOM 141 CD ARG A 13 -5.517 17.285 -9.104 1.00 0.00 C ATOM 142 NE ARG A 13 -5.727 18.118 -10.285 1.00 0.00 N ATOM 143 CZ ARG A 13 -6.911 18.285 -10.865 1.00 0.00 C ATOM 144 NH1 ARG A 13 -7.984 17.680 -10.376 1.00 0.00 N ATOM 145 NH2 ARG A 13 -7.022 19.059 -11.937 1.00 0.00 N ATOM 0 H ARG A 13 -6.465 14.183 -6.607 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.906 13.213 -9.280 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.935 15.398 -7.456 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.887 14.890 -8.766 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.393 15.599 -10.429 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.770 15.558 -9.346 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.210 17.588 -8.319 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.510 17.447 -8.720 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.921 18.598 -10.686 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.903 17.084 -9.552 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.891 17.810 -10.823 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.198 19.526 -12.316 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.931 19.187 -12.382 1.00 0.00 H new ATOM 159 N LEU A 14 -4.691 11.298 -7.703 1.00 0.00 N ATOM 160 CA LEU A 14 -3.702 10.279 -7.366 1.00 0.00 C ATOM 161 C LEU A 14 -4.100 8.923 -7.941 1.00 0.00 C ATOM 162 O LEU A 14 -5.208 8.438 -7.708 1.00 0.00 O ATOM 163 CB LEU A 14 -3.544 10.175 -5.848 1.00 0.00 C ATOM 164 CG LEU A 14 -2.486 11.083 -5.220 1.00 0.00 C ATOM 165 CD1 LEU A 14 -3.073 12.450 -4.906 1.00 0.00 C ATOM 166 CD2 LEU A 14 -1.914 10.444 -3.963 1.00 0.00 C ATOM 0 H LEU A 14 -5.656 10.968 -7.696 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.749 10.574 -7.805 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.506 10.398 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.302 9.142 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.676 11.215 -5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.305 13.082 -4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.433 12.911 -5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.902 12.338 -4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.163 11.104 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.714 10.281 -3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.455 9.489 -4.217 1.00 0.00 H new ATOM 178 N THR A 15 -3.188 8.314 -8.692 1.00 0.00 N ATOM 179 CA THR A 15 -3.442 7.014 -9.300 1.00 0.00 C ATOM 180 C THR A 15 -2.555 5.937 -8.686 1.00 0.00 C ATOM 181 O THR A 15 -1.367 6.158 -8.449 1.00 0.00 O ATOM 182 CB THR A 15 -3.208 7.050 -10.822 1.00 0.00 C ATOM 183 OG1 THR A 15 -3.904 8.161 -11.399 1.00 0.00 O ATOM 184 CG2 THR A 15 -3.679 5.757 -11.472 1.00 0.00 C ATOM 0 H THR A 15 -2.266 8.701 -8.894 1.00 0.00 H new ATOM 0 HA THR A 15 -4.487 6.774 -9.106 1.00 0.00 H new ATOM 0 HB THR A 15 -2.138 7.160 -11.001 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.749 8.178 -12.366 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.504 5.805 -12.547 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.127 4.916 -11.052 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.744 5.622 -11.284 1.00 0.00 H new ATOM 192 N VAL A 16 -3.139 4.771 -8.430 1.00 0.00 N ATOM 193 CA VAL A 16 -2.401 3.658 -7.845 1.00 0.00 C ATOM 194 C VAL A 16 -2.050 2.616 -8.900 1.00 0.00 C ATOM 195 O VAL A 16 -2.846 2.330 -9.794 1.00 0.00 O ATOM 196 CB VAL A 16 -3.204 2.982 -6.718 1.00 0.00 C ATOM 197 CG1 VAL A 16 -2.454 1.773 -6.179 1.00 0.00 C ATOM 198 CG2 VAL A 16 -3.502 3.976 -5.606 1.00 0.00 C ATOM 0 H VAL A 16 -4.122 4.572 -8.619 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.483 4.072 -7.428 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.153 2.637 -7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.037 1.308 -5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.298 1.053 -6.983 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.489 2.090 -5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.070 3.481 -4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.566 4.354 -5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.084 4.806 -6.006 1.00 0.00 H new ATOM 208 N MET A 17 -0.852 2.050 -8.790 1.00 0.00 N ATOM 209 CA MET A 17 -0.396 1.037 -9.735 1.00 0.00 C ATOM 210 C MET A 17 0.211 -0.155 -9.003 1.00 0.00 C ATOM 211 O MET A 17 0.193 -0.215 -7.774 1.00 0.00 O ATOM 212 CB MET A 17 0.630 1.634 -10.700 1.00 0.00 C ATOM 213 CG MET A 17 0.102 2.820 -11.492 1.00 0.00 C ATOM 214 SD MET A 17 1.043 3.123 -13.000 1.00 0.00 S ATOM 215 CE MET A 17 0.034 2.265 -14.206 1.00 0.00 C ATOM 0 H MET A 17 -0.180 2.276 -8.056 1.00 0.00 H new ATOM 0 HA MET A 17 -1.260 0.691 -10.303 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.508 1.947 -10.135 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.956 0.860 -11.395 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.942 2.644 -11.749 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.130 3.712 -10.866 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.486 2.361 -15.193 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.034 1.210 -13.939 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.965 2.701 -14.221 1.00 0.00 H new ATOM 225 N SER A 18 0.748 -1.102 -9.766 1.00 0.00 N ATOM 226 CA SER A 18 1.357 -2.295 -9.189 1.00 0.00 C ATOM 227 C SER A 18 0.535 -2.808 -8.010 1.00 0.00 C ATOM 228 O SER A 18 1.059 -3.475 -7.117 1.00 0.00 O ATOM 229 CB SER A 18 2.787 -1.995 -8.737 1.00 0.00 C ATOM 230 OG SER A 18 3.681 -2.001 -9.836 1.00 0.00 O ATOM 0 H SER A 18 0.774 -1.066 -10.785 1.00 0.00 H new ATOM 0 HA SER A 18 1.381 -3.069 -9.956 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.819 -1.024 -8.243 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.103 -2.736 -8.003 1.00 0.00 H new ATOM 0 HG SER A 18 4.588 -1.805 -9.521 1.00 0.00 H new ATOM 236 N LEU A 19 -0.755 -2.492 -8.014 1.00 0.00 N ATOM 237 CA LEU A 19 -1.651 -2.921 -6.946 1.00 0.00 C ATOM 238 C LEU A 19 -2.512 -4.097 -7.396 1.00 0.00 C ATOM 239 O LEU A 19 -3.112 -4.063 -8.470 1.00 0.00 O ATOM 240 CB LEU A 19 -2.544 -1.759 -6.506 1.00 0.00 C ATOM 241 CG LEU A 19 -3.218 -1.911 -5.142 1.00 0.00 C ATOM 242 CD1 LEU A 19 -2.325 -1.360 -4.041 1.00 0.00 C ATOM 243 CD2 LEU A 19 -4.570 -1.211 -5.135 1.00 0.00 C ATOM 0 H LEU A 19 -1.204 -1.940 -8.745 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.042 -3.244 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.943 -0.850 -6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.320 -1.618 -7.259 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.379 -2.972 -4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.821 -1.477 -3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.381 -1.905 -4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.132 -0.303 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.036 -1.329 -4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.432 -0.150 -5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.212 -1.652 -5.898 1.00 0.00 H new ATOM 255 N GLN A 20 -2.569 -5.133 -6.566 1.00 0.00 N ATOM 256 CA GLN A 20 -3.359 -6.319 -6.879 1.00 0.00 C ATOM 257 C GLN A 20 -4.456 -6.531 -5.841 1.00 0.00 C ATOM 258 O GLN A 20 -4.546 -5.794 -4.860 1.00 0.00 O ATOM 259 CB GLN A 20 -2.458 -7.553 -6.946 1.00 0.00 C ATOM 260 CG GLN A 20 -1.770 -7.877 -5.630 1.00 0.00 C ATOM 261 CD GLN A 20 -0.436 -7.174 -5.480 1.00 0.00 C ATOM 262 OE1 GLN A 20 -0.377 -6.005 -5.097 1.00 0.00 O ATOM 263 NE2 GLN A 20 0.645 -7.883 -5.782 1.00 0.00 N ATOM 0 H GLN A 20 -2.079 -5.176 -5.673 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.829 -6.167 -7.851 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.054 -8.411 -7.255 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.700 -7.398 -7.714 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.422 -7.592 -4.804 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.619 -8.954 -5.559 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.550 -8.849 -6.096 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.570 -7.462 -5.700 1.00 0.00 H new ATOM 272 N GLU A 21 -5.288 -7.543 -6.066 1.00 0.00 N ATOM 273 CA GLU A 21 -6.380 -7.851 -5.150 1.00 0.00 C ATOM 274 C GLU A 21 -6.306 -9.302 -4.682 1.00 0.00 C ATOM 275 O GLU A 21 -6.575 -9.605 -3.520 1.00 0.00 O ATOM 276 CB GLU A 21 -7.729 -7.590 -5.824 1.00 0.00 C ATOM 277 CG GLU A 21 -8.013 -6.117 -6.066 1.00 0.00 C ATOM 278 CD GLU A 21 -9.304 -5.890 -6.829 1.00 0.00 C ATOM 279 OE1 GLU A 21 -10.372 -5.827 -6.185 1.00 0.00 O ATOM 280 OE2 GLU A 21 -9.245 -5.774 -8.071 1.00 0.00 O ATOM 0 H GLU A 21 -5.227 -8.163 -6.874 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.284 -7.201 -4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.758 -8.118 -6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.522 -8.007 -5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.065 -5.599 -5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.185 -5.677 -6.622 1.00 0.00 H new ATOM 287 N SER A 22 -5.939 -10.194 -5.596 1.00 0.00 N ATOM 288 CA SER A 22 -5.833 -11.613 -5.280 1.00 0.00 C ATOM 289 C SER A 22 -4.472 -12.163 -5.696 1.00 0.00 C ATOM 290 O SER A 22 -4.320 -13.359 -5.938 1.00 0.00 O ATOM 291 CB SER A 22 -6.947 -12.398 -5.976 1.00 0.00 C ATOM 292 OG SER A 22 -6.909 -12.200 -7.379 1.00 0.00 O ATOM 0 H SER A 22 -5.710 -9.959 -6.562 1.00 0.00 H new ATOM 0 HA SER A 22 -5.937 -11.727 -4.201 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.843 -13.460 -5.752 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.916 -12.084 -5.587 1.00 0.00 H new ATOM 0 HG SER A 22 -7.629 -12.713 -7.801 1.00 0.00 H new ATOM 298 N GLY A 23 -3.483 -11.277 -5.777 1.00 0.00 N ATOM 299 CA GLY A 23 -2.147 -11.691 -6.165 1.00 0.00 C ATOM 300 C GLY A 23 -1.106 -11.340 -5.120 1.00 0.00 C ATOM 301 O GLY A 23 -0.017 -10.869 -5.452 1.00 0.00 O ATOM 0 H GLY A 23 -3.583 -10.281 -5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.138 -12.768 -6.335 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.883 -11.217 -7.110 1.00 0.00 H new ATOM 305 N LEU A 24 -1.439 -11.569 -3.855 1.00 0.00 N ATOM 306 CA LEU A 24 -0.525 -11.272 -2.758 1.00 0.00 C ATOM 307 C LEU A 24 0.207 -12.531 -2.303 1.00 0.00 C ATOM 308 O LEU A 24 -0.106 -13.638 -2.743 1.00 0.00 O ATOM 309 CB LEU A 24 -1.289 -10.661 -1.582 1.00 0.00 C ATOM 310 CG LEU A 24 -1.893 -9.276 -1.821 1.00 0.00 C ATOM 311 CD1 LEU A 24 -2.524 -8.741 -0.545 1.00 0.00 C ATOM 312 CD2 LEU A 24 -0.833 -8.315 -2.338 1.00 0.00 C ATOM 0 H LEU A 24 -2.335 -11.959 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 24 0.212 -10.554 -3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.093 -11.343 -1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.614 -10.599 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.673 -9.366 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.948 -7.755 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.312 -9.418 -0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.764 -8.665 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.280 -7.335 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.031 -8.230 -1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.428 -8.691 -3.277 1.00 0.00 H new ATOM 324 N LYS A 25 1.183 -12.355 -1.418 1.00 0.00 N ATOM 325 CA LYS A 25 1.958 -13.476 -0.900 1.00 0.00 C ATOM 326 C LYS A 25 2.077 -13.400 0.618 1.00 0.00 C ATOM 327 O LYS A 25 2.625 -12.441 1.161 1.00 0.00 O ATOM 328 CB LYS A 25 3.352 -13.493 -1.531 1.00 0.00 C ATOM 329 CG LYS A 25 3.336 -13.699 -3.036 1.00 0.00 C ATOM 330 CD LYS A 25 4.640 -14.304 -3.530 1.00 0.00 C ATOM 331 CE LYS A 25 4.732 -14.267 -5.048 1.00 0.00 C ATOM 332 NZ LYS A 25 5.986 -14.899 -5.543 1.00 0.00 N ATOM 0 H LYS A 25 1.456 -11.446 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 25 1.436 -14.397 -1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.855 -12.552 -1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.941 -14.286 -1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.506 -14.352 -3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.166 -12.744 -3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.481 -13.760 -3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.718 -15.335 -3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.872 -14.782 -5.477 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.687 -13.233 -5.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.011 -14.854 -6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.807 -14.392 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.017 -15.893 -5.239 1.00 0.00 H new ATOM 346 N VAL A 26 1.560 -14.418 1.300 1.00 0.00 N ATOM 347 CA VAL A 26 1.611 -14.467 2.756 1.00 0.00 C ATOM 348 C VAL A 26 3.050 -14.524 3.254 1.00 0.00 C ATOM 349 O VAL A 26 3.924 -15.086 2.595 1.00 0.00 O ATOM 350 CB VAL A 26 0.841 -15.684 3.303 1.00 0.00 C ATOM 351 CG1 VAL A 26 -0.630 -15.599 2.927 1.00 0.00 C ATOM 352 CG2 VAL A 26 1.457 -16.977 2.791 1.00 0.00 C ATOM 0 H VAL A 26 1.101 -15.219 0.867 1.00 0.00 H new ATOM 0 HA VAL A 26 1.140 -13.554 3.120 1.00 0.00 H new ATOM 0 HB VAL A 26 0.913 -15.679 4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.157 -16.467 3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.061 -14.690 3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.727 -15.578 1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.901 -17.827 3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.417 -16.993 1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.495 -17.039 3.117 1.00 0.00 H new ATOM 362 N ASN A 27 3.290 -13.938 4.423 1.00 0.00 N ATOM 363 CA ASN A 27 4.624 -13.921 5.010 1.00 0.00 C ATOM 364 C ASN A 27 5.669 -13.515 3.976 1.00 0.00 C ATOM 365 O ASN A 27 6.753 -14.094 3.914 1.00 0.00 O ATOM 366 CB ASN A 27 4.968 -15.297 5.586 1.00 0.00 C ATOM 367 CG ASN A 27 4.987 -16.379 4.524 1.00 0.00 C ATOM 368 OD1 ASN A 27 4.128 -17.379 4.683 1.00 0.00 O flip ATOM 369 ND2 ASN A 27 5.765 -16.316 3.572 1.00 0.00 N flip ATOM 0 H ASN A 27 2.577 -13.469 4.982 1.00 0.00 H new ATOM 0 HA ASN A 27 4.630 -13.185 5.814 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.943 -15.251 6.072 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.241 -15.559 6.355 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.408 -15.529 3.490 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.766 -17.051 2.865 1.00 0.00 H new ATOM 376 N GLN A 28 5.335 -12.515 3.166 1.00 0.00 N ATOM 377 CA GLN A 28 6.245 -12.032 2.134 1.00 0.00 C ATOM 378 C GLN A 28 6.066 -10.534 1.910 1.00 0.00 C ATOM 379 O GLN A 28 4.958 -10.001 1.962 1.00 0.00 O ATOM 380 CB GLN A 28 6.012 -12.787 0.824 1.00 0.00 C ATOM 381 CG GLN A 28 6.782 -14.094 0.730 1.00 0.00 C ATOM 382 CD GLN A 28 7.034 -14.521 -0.702 1.00 0.00 C ATOM 383 OE1 GLN A 28 7.523 -13.739 -1.518 1.00 0.00 O ATOM 384 NE2 GLN A 28 6.702 -15.768 -1.016 1.00 0.00 N ATOM 0 H GLN A 28 4.442 -12.024 3.205 1.00 0.00 H new ATOM 0 HA GLN A 28 7.266 -12.212 2.471 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.947 -12.994 0.718 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.297 -12.146 -0.011 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.736 -13.987 1.246 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.226 -14.877 1.246 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.299 -16.382 -0.308 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.850 -16.112 -1.965 1.00 0.00 H new ATOM 393 N PRO A 29 7.183 -9.836 1.654 1.00 0.00 N ATOM 394 CA PRO A 29 7.176 -8.390 1.416 1.00 0.00 C ATOM 395 C PRO A 29 6.525 -8.024 0.086 1.00 0.00 C ATOM 396 O PRO A 29 6.918 -8.526 -0.966 1.00 0.00 O ATOM 397 CB PRO A 29 8.663 -8.025 1.402 1.00 0.00 C ATOM 398 CG PRO A 29 9.357 -9.282 1.004 1.00 0.00 C ATOM 399 CD PRO A 29 8.539 -10.406 1.576 1.00 0.00 C ATOM 0 HA PRO A 29 6.599 -7.856 2.171 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.866 -7.220 0.696 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.996 -7.682 2.382 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.426 -9.363 -0.081 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.376 -9.305 1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.568 -11.289 0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.904 -10.710 2.557 1.00 0.00 H new ATOM 407 N ALA A 30 5.529 -7.146 0.142 1.00 0.00 N ATOM 408 CA ALA A 30 4.826 -6.711 -1.059 1.00 0.00 C ATOM 409 C ALA A 30 4.618 -5.201 -1.056 1.00 0.00 C ATOM 410 O ALA A 30 3.947 -4.658 -0.178 1.00 0.00 O ATOM 411 CB ALA A 30 3.491 -7.430 -1.178 1.00 0.00 C ATOM 0 H ALA A 30 5.191 -6.722 1.006 1.00 0.00 H new ATOM 0 HA ALA A 30 5.441 -6.965 -1.923 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.977 -7.096 -2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.661 -8.505 -1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.878 -7.205 -0.306 1.00 0.00 H new ATOM 417 N SER A 31 5.197 -4.526 -2.044 1.00 0.00 N ATOM 418 CA SER A 31 5.078 -3.077 -2.153 1.00 0.00 C ATOM 419 C SER A 31 4.428 -2.683 -3.476 1.00 0.00 C ATOM 420 O SER A 31 4.481 -3.429 -4.454 1.00 0.00 O ATOM 421 CB SER A 31 6.455 -2.421 -2.034 1.00 0.00 C ATOM 422 OG SER A 31 7.262 -2.720 -3.160 1.00 0.00 O ATOM 0 H SER A 31 5.753 -4.960 -2.781 1.00 0.00 H new ATOM 0 HA SER A 31 4.444 -2.727 -1.338 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.340 -1.341 -1.942 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.949 -2.768 -1.126 1.00 0.00 H new ATOM 0 HG SER A 31 8.136 -2.288 -3.060 1.00 0.00 H new ATOM 428 N PHE A 32 3.813 -1.505 -3.498 1.00 0.00 N ATOM 429 CA PHE A 32 3.151 -1.011 -4.699 1.00 0.00 C ATOM 430 C PHE A 32 3.644 0.388 -5.056 1.00 0.00 C ATOM 431 O PHE A 32 4.297 1.052 -4.251 1.00 0.00 O ATOM 432 CB PHE A 32 1.634 -0.993 -4.500 1.00 0.00 C ATOM 433 CG PHE A 32 1.204 -0.324 -3.226 1.00 0.00 C ATOM 434 CD1 PHE A 32 0.979 1.043 -3.188 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.026 -1.061 -2.067 1.00 0.00 C ATOM 436 CE1 PHE A 32 0.583 1.662 -2.017 1.00 0.00 C ATOM 437 CE2 PHE A 32 0.629 -0.448 -0.893 1.00 0.00 C ATOM 438 CZ PHE A 32 0.409 0.916 -0.868 1.00 0.00 C ATOM 0 H PHE A 32 3.760 -0.875 -2.698 1.00 0.00 H new ATOM 0 HA PHE A 32 3.395 -1.684 -5.521 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.171 -0.481 -5.344 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.263 -2.018 -4.506 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.115 1.631 -4.083 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.199 -2.127 -2.080 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.410 2.728 -2.001 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.491 -1.034 0.003 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.102 1.398 0.048 1.00 0.00 H new ATOM 448 N ALA A 33 3.327 0.830 -6.269 1.00 0.00 N ATOM 449 CA ALA A 33 3.736 2.150 -6.732 1.00 0.00 C ATOM 450 C ALA A 33 2.540 3.090 -6.836 1.00 0.00 C ATOM 451 O ALA A 33 1.520 2.748 -7.435 1.00 0.00 O ATOM 452 CB ALA A 33 4.444 2.042 -8.075 1.00 0.00 C ATOM 0 H ALA A 33 2.788 0.293 -6.948 1.00 0.00 H new ATOM 0 HA ALA A 33 4.429 2.566 -6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.744 3.035 -8.409 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.327 1.412 -7.971 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.768 1.601 -8.808 1.00 0.00 H new ATOM 458 N ILE A 34 2.673 4.275 -6.250 1.00 0.00 N ATOM 459 CA ILE A 34 1.602 5.264 -6.278 1.00 0.00 C ATOM 460 C ILE A 34 1.945 6.418 -7.215 1.00 0.00 C ATOM 461 O ILE A 34 2.894 7.164 -6.976 1.00 0.00 O ATOM 462 CB ILE A 34 1.318 5.826 -4.873 1.00 0.00 C ATOM 463 CG1 ILE A 34 0.854 4.708 -3.937 1.00 0.00 C ATOM 464 CG2 ILE A 34 0.274 6.931 -4.945 1.00 0.00 C ATOM 465 CD1 ILE A 34 0.873 5.096 -2.475 1.00 0.00 C ATOM 0 H ILE A 34 3.511 4.574 -5.751 1.00 0.00 H new ATOM 0 HA ILE A 34 0.711 4.754 -6.643 1.00 0.00 H new ATOM 0 HB ILE A 34 2.240 6.249 -4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.158 4.411 -4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.492 3.836 -4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.084 7.318 -3.944 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.640 7.736 -5.582 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.651 6.531 -5.361 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.532 4.255 -1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.888 5.364 -2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.212 5.948 -2.316 1.00 0.00 H new ATOM 477 N ARG A 35 1.163 6.560 -8.280 1.00 0.00 N ATOM 478 CA ARG A 35 1.383 7.624 -9.253 1.00 0.00 C ATOM 479 C ARG A 35 0.792 8.941 -8.760 1.00 0.00 C ATOM 480 O ARG A 35 -0.299 8.970 -8.190 1.00 0.00 O ATOM 481 CB ARG A 35 0.765 7.247 -10.601 1.00 0.00 C ATOM 482 CG ARG A 35 0.346 8.447 -11.435 1.00 0.00 C ATOM 483 CD ARG A 35 0.429 8.147 -12.923 1.00 0.00 C ATOM 484 NE ARG A 35 -0.623 7.231 -13.357 1.00 0.00 N ATOM 485 CZ ARG A 35 -0.569 6.532 -14.485 1.00 0.00 C ATOM 486 NH1 ARG A 35 0.480 6.642 -15.288 1.00 0.00 N ATOM 487 NH2 ARG A 35 -1.566 5.719 -14.811 1.00 0.00 N ATOM 0 H ARG A 35 0.372 5.952 -8.491 1.00 0.00 H new ATOM 0 HA ARG A 35 2.458 7.752 -9.378 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.483 6.654 -11.168 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.105 6.614 -10.428 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.674 8.733 -11.177 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.985 9.297 -11.198 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.354 9.078 -13.485 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.403 7.715 -13.152 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.444 7.122 -12.761 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.249 7.265 -15.040 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.518 6.104 -16.154 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.374 5.631 -14.195 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.524 5.182 -15.677 1.00 0.00 H new ATOM 501 N LEU A 36 1.520 10.030 -8.983 1.00 0.00 N ATOM 502 CA LEU A 36 1.068 11.352 -8.562 1.00 0.00 C ATOM 503 C LEU A 36 0.925 12.286 -9.759 1.00 0.00 C ATOM 504 O LEU A 36 1.886 12.528 -10.488 1.00 0.00 O ATOM 505 CB LEU A 36 2.048 11.948 -7.550 1.00 0.00 C ATOM 506 CG LEU A 36 2.391 11.067 -6.348 1.00 0.00 C ATOM 507 CD1 LEU A 36 3.720 11.487 -5.740 1.00 0.00 C ATOM 508 CD2 LEU A 36 1.282 11.129 -5.307 1.00 0.00 C ATOM 0 H LEU A 36 2.425 10.024 -9.453 1.00 0.00 H new ATOM 0 HA LEU A 36 0.091 11.242 -8.092 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.973 12.193 -8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.632 12.886 -7.181 1.00 0.00 H new ATOM 0 HG LEU A 36 2.482 10.037 -6.691 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.947 10.849 -4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.509 11.389 -6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.658 12.524 -5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.543 10.496 -4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.158 12.157 -4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.349 10.778 -5.748 1.00 0.00 H new ATOM 520 N ASN A 37 -0.281 12.809 -9.954 1.00 0.00 N ATOM 521 CA ASN A 37 -0.550 13.718 -11.062 1.00 0.00 C ATOM 522 C ASN A 37 -0.191 15.153 -10.688 1.00 0.00 C ATOM 523 O ASN A 37 -0.705 16.105 -11.274 1.00 0.00 O ATOM 524 CB ASN A 37 -2.023 13.638 -11.469 1.00 0.00 C ATOM 525 CG ASN A 37 -2.363 12.328 -12.154 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.455 12.262 -13.380 1.00 0.00 O ATOM 527 ND2 ASN A 37 -2.552 11.279 -11.363 1.00 0.00 N ATOM 0 H ASN A 37 -1.087 12.619 -9.359 1.00 0.00 H new ATOM 0 HA ASN A 37 0.070 13.416 -11.906 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.649 13.755 -10.584 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.258 14.466 -12.138 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.784 10.371 -11.766 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.465 11.381 -10.352 1.00 0.00 H new ATOM 534 N GLY A 38 0.695 15.299 -9.708 1.00 0.00 N ATOM 535 CA GLY A 38 1.108 16.620 -9.272 1.00 0.00 C ATOM 536 C GLY A 38 0.368 17.079 -8.031 1.00 0.00 C ATOM 537 O GLY A 38 0.111 18.270 -7.858 1.00 0.00 O ATOM 0 H GLY A 38 1.134 14.526 -9.208 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.179 16.614 -9.071 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.938 17.335 -10.077 1.00 0.00 H new ATOM 541 N ALA A 39 0.022 16.132 -7.166 1.00 0.00 N ATOM 542 CA ALA A 39 -0.693 16.445 -5.935 1.00 0.00 C ATOM 543 C ALA A 39 0.277 16.663 -4.778 1.00 0.00 C ATOM 544 O ALA A 39 1.068 15.782 -4.442 1.00 0.00 O ATOM 545 CB ALA A 39 -1.677 15.335 -5.599 1.00 0.00 C ATOM 0 H ALA A 39 0.225 15.141 -7.295 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.247 17.371 -6.091 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.204 15.582 -4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.397 15.229 -6.411 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.137 14.397 -5.468 1.00 0.00 H new ATOM 551 N LYS A 40 0.211 17.844 -4.171 1.00 0.00 N ATOM 552 CA LYS A 40 1.081 18.179 -3.051 1.00 0.00 C ATOM 553 C LYS A 40 0.375 17.937 -1.721 1.00 0.00 C ATOM 554 O LYS A 40 -0.727 18.434 -1.493 1.00 0.00 O ATOM 555 CB LYS A 40 1.528 19.640 -3.145 1.00 0.00 C ATOM 556 CG LYS A 40 0.397 20.635 -2.954 1.00 0.00 C ATOM 557 CD LYS A 40 0.727 21.980 -3.580 1.00 0.00 C ATOM 558 CE LYS A 40 -0.489 22.893 -3.610 1.00 0.00 C ATOM 559 NZ LYS A 40 -0.103 24.326 -3.735 1.00 0.00 N ATOM 0 H LYS A 40 -0.437 18.585 -4.437 1.00 0.00 H new ATOM 0 HA LYS A 40 1.958 17.533 -3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.295 19.826 -2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.989 19.808 -4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.516 20.240 -3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.202 20.766 -1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.529 22.458 -3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.096 21.830 -4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.131 22.615 -4.446 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.072 22.752 -2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.959 24.916 -3.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.489 24.598 -2.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.431 24.466 -4.616 1.00 0.00 H new ATOM 573 N GLY A 41 1.018 17.170 -0.845 1.00 0.00 N ATOM 574 CA GLY A 41 0.436 16.877 0.451 1.00 0.00 C ATOM 575 C GLY A 41 1.137 15.733 1.156 1.00 0.00 C ATOM 576 O GLY A 41 2.221 15.314 0.750 1.00 0.00 O ATOM 0 H GLY A 41 1.931 16.747 -1.010 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.483 17.768 1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.618 16.631 0.325 1.00 0.00 H new ATOM 580 N LYS A 42 0.518 15.226 2.217 1.00 0.00 N ATOM 581 CA LYS A 42 1.089 14.123 2.982 1.00 0.00 C ATOM 582 C LYS A 42 0.492 12.790 2.544 1.00 0.00 C ATOM 583 O LYS A 42 -0.729 12.629 2.505 1.00 0.00 O ATOM 584 CB LYS A 42 0.849 14.335 4.478 1.00 0.00 C ATOM 585 CG LYS A 42 1.727 15.412 5.089 1.00 0.00 C ATOM 586 CD LYS A 42 1.112 15.982 6.357 1.00 0.00 C ATOM 587 CE LYS A 42 -0.036 16.929 6.042 1.00 0.00 C ATOM 588 NZ LYS A 42 -0.902 17.165 7.230 1.00 0.00 N ATOM 0 H LYS A 42 -0.379 15.561 2.567 1.00 0.00 H new ATOM 0 HA LYS A 42 2.162 14.100 2.792 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.197 14.598 4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.024 13.395 5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.709 14.997 5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.878 16.213 4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.752 15.168 6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.876 16.511 6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.364 17.880 5.689 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.636 16.515 5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.672 17.815 6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.304 16.261 7.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.335 17.583 7.995 1.00 0.00 H new ATOM 602 N ILE A 43 1.358 11.838 2.216 1.00 0.00 N ATOM 603 CA ILE A 43 0.915 10.518 1.783 1.00 0.00 C ATOM 604 C ILE A 43 0.896 9.535 2.949 1.00 0.00 C ATOM 605 O ILE A 43 1.945 9.120 3.442 1.00 0.00 O ATOM 606 CB ILE A 43 1.818 9.958 0.669 1.00 0.00 C ATOM 607 CG1 ILE A 43 1.831 10.906 -0.532 1.00 0.00 C ATOM 608 CG2 ILE A 43 1.348 8.573 0.252 1.00 0.00 C ATOM 609 CD1 ILE A 43 2.950 10.626 -1.511 1.00 0.00 C ATOM 0 H ILE A 43 2.371 11.956 2.242 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.096 10.637 1.394 1.00 0.00 H new ATOM 0 HB ILE A 43 2.835 9.875 1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.876 10.832 -1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.920 11.932 -0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.997 8.191 -0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.386 7.902 1.110 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.324 8.632 -0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.897 11.336 -2.336 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.910 10.728 -1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.850 9.612 -1.898 1.00 0.00 H new ATOM 621 N ASP A 44 -0.304 9.166 3.384 1.00 0.00 N ATOM 622 CA ASP A 44 -0.461 8.228 4.490 1.00 0.00 C ATOM 623 C ASP A 44 -0.911 6.861 3.985 1.00 0.00 C ATOM 624 O ASP A 44 -1.915 6.748 3.283 1.00 0.00 O ATOM 625 CB ASP A 44 -1.470 8.768 5.505 1.00 0.00 C ATOM 626 CG ASP A 44 -2.013 7.684 6.415 1.00 0.00 C ATOM 627 OD1 ASP A 44 -1.393 7.429 7.469 1.00 0.00 O ATOM 628 OD2 ASP A 44 -3.056 7.089 6.072 1.00 0.00 O ATOM 0 H ASP A 44 -1.182 9.502 2.988 1.00 0.00 H new ATOM 0 HA ASP A 44 0.508 8.114 4.977 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.995 9.541 6.109 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.297 9.241 4.975 1.00 0.00 H new ATOM 633 N ALA A 45 -0.159 5.826 4.346 1.00 0.00 N ATOM 634 CA ALA A 45 -0.481 4.467 3.929 1.00 0.00 C ATOM 635 C ALA A 45 -0.289 3.481 5.077 1.00 0.00 C ATOM 636 O ALA A 45 0.827 3.283 5.559 1.00 0.00 O ATOM 637 CB ALA A 45 0.372 4.064 2.736 1.00 0.00 C ATOM 0 H ALA A 45 0.677 5.903 4.926 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.530 4.443 3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.120 3.047 2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.182 4.745 1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.426 4.111 3.010 1.00 0.00 H new ATOM 643 N LYS A 46 -1.383 2.865 5.511 1.00 0.00 N ATOM 644 CA LYS A 46 -1.336 1.899 6.602 1.00 0.00 C ATOM 645 C LYS A 46 -2.219 0.693 6.300 1.00 0.00 C ATOM 646 O LYS A 46 -3.182 0.791 5.538 1.00 0.00 O ATOM 647 CB LYS A 46 -1.781 2.555 7.911 1.00 0.00 C ATOM 648 CG LYS A 46 -0.914 3.731 8.328 1.00 0.00 C ATOM 649 CD LYS A 46 -1.554 4.524 9.455 1.00 0.00 C ATOM 650 CE LYS A 46 -1.487 3.770 10.774 1.00 0.00 C ATOM 651 NZ LYS A 46 -1.828 4.644 11.930 1.00 0.00 N ATOM 0 H LYS A 46 -2.314 3.018 5.123 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.307 1.556 6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.812 2.894 7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.770 1.807 8.704 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.063 3.369 8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.748 4.384 7.471 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.049 5.485 9.558 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.594 4.735 9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.173 2.924 10.744 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.485 3.363 10.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.771 4.093 12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.158 5.438 11.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.794 5.012 11.814 1.00 0.00 H new ATOM 665 N VAL A 47 -1.887 -0.445 6.902 1.00 0.00 N ATOM 666 CA VAL A 47 -2.652 -1.669 6.699 1.00 0.00 C ATOM 667 C VAL A 47 -3.534 -1.973 7.905 1.00 0.00 C ATOM 668 O VAL A 47 -3.064 -1.989 9.043 1.00 0.00 O ATOM 669 CB VAL A 47 -1.726 -2.872 6.438 1.00 0.00 C ATOM 670 CG1 VAL A 47 -0.961 -3.241 7.700 1.00 0.00 C ATOM 671 CG2 VAL A 47 -2.528 -4.059 5.925 1.00 0.00 C ATOM 0 H VAL A 47 -1.093 -0.544 7.534 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.282 -1.507 5.824 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.003 -2.592 5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.312 -4.093 7.496 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.356 -2.393 8.020 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.666 -3.502 8.489 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.859 -4.900 5.746 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.275 -4.341 6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.026 -3.787 4.994 1.00 0.00 H new ATOM 681 N HIS A 48 -4.816 -2.213 7.648 1.00 0.00 N ATOM 682 CA HIS A 48 -5.765 -2.517 8.713 1.00 0.00 C ATOM 683 C HIS A 48 -5.995 -4.021 8.822 1.00 0.00 C ATOM 684 O HIS A 48 -5.778 -4.763 7.864 1.00 0.00 O ATOM 685 CB HIS A 48 -7.093 -1.803 8.461 1.00 0.00 C ATOM 686 CG HIS A 48 -7.069 -0.350 8.822 1.00 0.00 C ATOM 687 ND1 HIS A 48 -7.708 0.160 9.934 1.00 0.00 N ATOM 688 CD2 HIS A 48 -6.478 0.705 8.214 1.00 0.00 C ATOM 689 CE1 HIS A 48 -7.511 1.465 9.991 1.00 0.00 C ATOM 690 NE2 HIS A 48 -6.768 1.821 8.959 1.00 0.00 N ATOM 0 H HIS A 48 -5.221 -2.203 6.712 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.344 -2.162 9.654 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.356 -1.903 7.408 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.877 -2.298 9.034 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.888 0.674 7.310 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.893 2.128 10.753 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.460 2.770 8.750 1.00 0.00 H new ATOM 698 N SER A 49 -6.436 -4.464 9.995 1.00 0.00 N ATOM 699 CA SER A 49 -6.691 -5.881 10.230 1.00 0.00 C ATOM 700 C SER A 49 -8.083 -6.091 10.819 1.00 0.00 C ATOM 701 O SER A 49 -8.578 -5.288 11.610 1.00 0.00 O ATOM 702 CB SER A 49 -5.634 -6.462 11.171 1.00 0.00 C ATOM 703 OG SER A 49 -5.807 -5.981 12.493 1.00 0.00 O ATOM 0 H SER A 49 -6.624 -3.863 10.797 1.00 0.00 H new ATOM 0 HA SER A 49 -6.638 -6.399 9.272 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.697 -7.550 11.166 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.639 -6.198 10.812 1.00 0.00 H new ATOM 0 HG SER A 49 -5.506 -5.050 12.544 1.00 0.00 H new ATOM 709 N PRO A 50 -8.730 -7.198 10.425 1.00 0.00 N ATOM 710 CA PRO A 50 -10.073 -7.541 10.901 1.00 0.00 C ATOM 711 C PRO A 50 -10.082 -7.942 12.372 1.00 0.00 C ATOM 712 O PRO A 50 -11.138 -8.207 12.946 1.00 0.00 O ATOM 713 CB PRO A 50 -10.469 -8.729 10.020 1.00 0.00 C ATOM 714 CG PRO A 50 -9.175 -9.338 9.602 1.00 0.00 C ATOM 715 CD PRO A 50 -8.200 -8.199 9.484 1.00 0.00 C ATOM 0 HA PRO A 50 -10.758 -6.696 10.833 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.083 -9.442 10.570 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.051 -8.405 9.157 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.834 -10.070 10.334 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.279 -9.862 8.652 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.189 -8.506 9.751 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.157 -7.811 8.466 1.00 0.00 H new ATOM 723 N SER A 51 -8.899 -7.985 12.976 1.00 0.00 N ATOM 724 CA SER A 51 -8.770 -8.357 14.380 1.00 0.00 C ATOM 725 C SER A 51 -8.934 -7.138 15.282 1.00 0.00 C ATOM 726 O SER A 51 -9.321 -7.258 16.444 1.00 0.00 O ATOM 727 CB SER A 51 -7.412 -9.015 14.633 1.00 0.00 C ATOM 728 OG SER A 51 -7.271 -10.202 13.872 1.00 0.00 O ATOM 0 H SER A 51 -8.016 -7.767 12.515 1.00 0.00 H new ATOM 0 HA SER A 51 -9.560 -9.070 14.615 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.614 -8.318 14.377 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.307 -9.245 15.693 1.00 0.00 H new ATOM 0 HG SER A 51 -6.394 -10.603 14.050 1.00 0.00 H new ATOM 734 N GLY A 52 -8.635 -5.962 14.738 1.00 0.00 N ATOM 735 CA GLY A 52 -8.754 -4.737 15.507 1.00 0.00 C ATOM 736 C GLY A 52 -7.409 -4.100 15.795 1.00 0.00 C ATOM 737 O GLY A 52 -7.254 -3.382 16.783 1.00 0.00 O ATOM 0 H GLY A 52 -8.313 -5.836 13.779 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.379 -4.029 14.962 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.260 -4.950 16.448 1.00 0.00 H new ATOM 741 N ALA A 53 -6.434 -4.364 14.931 1.00 0.00 N ATOM 742 CA ALA A 53 -5.096 -3.811 15.098 1.00 0.00 C ATOM 743 C ALA A 53 -4.707 -2.945 13.905 1.00 0.00 C ATOM 744 O ALA A 53 -5.102 -3.219 12.771 1.00 0.00 O ATOM 745 CB ALA A 53 -4.083 -4.929 15.293 1.00 0.00 C ATOM 0 H ALA A 53 -6.546 -4.957 14.109 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.099 -3.180 15.987 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.088 -4.501 15.416 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.343 -5.505 16.181 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.091 -5.583 14.421 1.00 0.00 H new ATOM 751 N VAL A 54 -3.932 -1.897 14.167 1.00 0.00 N ATOM 752 CA VAL A 54 -3.489 -0.991 13.114 1.00 0.00 C ATOM 753 C VAL A 54 -1.976 -1.049 12.939 1.00 0.00 C ATOM 754 O VAL A 54 -1.223 -0.798 13.880 1.00 0.00 O ATOM 755 CB VAL A 54 -3.906 0.462 13.412 1.00 0.00 C ATOM 756 CG1 VAL A 54 -3.343 1.405 12.360 1.00 0.00 C ATOM 757 CG2 VAL A 54 -5.421 0.576 13.488 1.00 0.00 C ATOM 0 H VAL A 54 -3.598 -1.655 15.100 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.970 -1.317 12.192 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.495 0.749 14.380 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.648 2.427 12.587 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.255 1.342 12.360 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.722 1.123 11.378 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.698 1.609 13.699 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.857 0.271 12.537 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.795 -0.070 14.283 1.00 0.00 H new ATOM 767 N GLU A 55 -1.538 -1.380 11.729 1.00 0.00 N ATOM 768 CA GLU A 55 -0.113 -1.471 11.431 1.00 0.00 C ATOM 769 C GLU A 55 0.323 -0.337 10.508 1.00 0.00 C ATOM 770 O GLU A 55 -0.508 0.404 9.983 1.00 0.00 O ATOM 771 CB GLU A 55 0.211 -2.821 10.788 1.00 0.00 C ATOM 772 CG GLU A 55 0.565 -3.905 11.793 1.00 0.00 C ATOM 773 CD GLU A 55 1.545 -3.426 12.846 1.00 0.00 C ATOM 774 OE1 GLU A 55 2.735 -3.248 12.513 1.00 0.00 O ATOM 775 OE2 GLU A 55 1.121 -3.231 14.005 1.00 0.00 O ATOM 0 H GLU A 55 -2.149 -1.590 10.939 1.00 0.00 H new ATOM 0 HA GLU A 55 0.435 -1.383 12.369 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.646 -3.149 10.200 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.043 -2.694 10.095 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.345 -4.254 12.281 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.992 -4.758 11.266 1.00 0.00 H new ATOM 782 N GLU A 56 1.632 -0.209 10.315 1.00 0.00 N ATOM 783 CA GLU A 56 2.179 0.835 9.456 1.00 0.00 C ATOM 784 C GLU A 56 2.968 0.230 8.299 1.00 0.00 C ATOM 785 O GLU A 56 3.723 -0.727 8.481 1.00 0.00 O ATOM 786 CB GLU A 56 3.077 1.773 10.265 1.00 0.00 C ATOM 787 CG GLU A 56 3.531 2.999 9.491 1.00 0.00 C ATOM 788 CD GLU A 56 4.821 3.585 10.030 1.00 0.00 C ATOM 789 OE1 GLU A 56 5.888 2.979 9.801 1.00 0.00 O ATOM 790 OE2 GLU A 56 4.764 4.650 10.680 1.00 0.00 O ATOM 0 H GLU A 56 2.333 -0.815 10.742 1.00 0.00 H new ATOM 0 HA GLU A 56 1.346 1.406 9.045 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.541 2.095 11.158 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.954 1.221 10.602 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.668 2.732 8.443 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.749 3.757 9.528 1.00 0.00 H new ATOM 797 N CYS A 57 2.788 0.793 7.110 1.00 0.00 N ATOM 798 CA CYS A 57 3.482 0.309 5.921 1.00 0.00 C ATOM 799 C CYS A 57 4.712 1.161 5.625 1.00 0.00 C ATOM 800 O CYS A 57 4.672 2.387 5.734 1.00 0.00 O ATOM 801 CB CYS A 57 2.540 0.316 4.717 1.00 0.00 C ATOM 802 SG CYS A 57 1.101 -0.764 4.899 1.00 0.00 S ATOM 0 H CYS A 57 2.168 1.585 6.943 1.00 0.00 H new ATOM 0 HA CYS A 57 3.808 -0.713 6.112 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.196 1.336 4.544 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.098 0.014 3.831 1.00 0.00 H new ATOM 0 HG CYS A 57 0.363 -0.688 3.831 1.00 0.00 H new ATOM 808 N HIS A 58 5.805 0.503 5.251 1.00 0.00 N ATOM 809 CA HIS A 58 7.048 1.200 4.940 1.00 0.00 C ATOM 810 C HIS A 58 6.873 2.106 3.725 1.00 0.00 C ATOM 811 O HIS A 58 6.769 1.632 2.594 1.00 0.00 O ATOM 812 CB HIS A 58 8.171 0.194 4.683 1.00 0.00 C ATOM 813 CG HIS A 58 9.538 0.804 4.707 1.00 0.00 C ATOM 814 ND1 HIS A 58 9.844 1.991 4.075 1.00 0.00 N ATOM 815 CD2 HIS A 58 10.684 0.386 5.294 1.00 0.00 C ATOM 816 CE1 HIS A 58 11.119 2.275 4.270 1.00 0.00 C ATOM 817 NE2 HIS A 58 11.652 1.317 5.007 1.00 0.00 N ATOM 0 H HIS A 58 5.855 -0.511 5.156 1.00 0.00 H new ATOM 0 HA HIS A 58 7.314 1.818 5.797 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.121 -0.594 5.434 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.010 -0.278 3.714 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.813 -0.513 5.879 1.00 0.00 H new ATOM 0 HE1 HIS A 58 11.638 3.143 3.891 1.00 0.00 H new ATOM 0 HE2 HIS A 58 12.624 1.275 5.313 1.00 0.00 H new ATOM 825 N VAL A 59 6.841 3.413 3.967 1.00 0.00 N ATOM 826 CA VAL A 59 6.679 4.386 2.894 1.00 0.00 C ATOM 827 C VAL A 59 7.964 5.173 2.667 1.00 0.00 C ATOM 828 O VAL A 59 8.369 5.976 3.508 1.00 0.00 O ATOM 829 CB VAL A 59 5.533 5.370 3.196 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.435 6.427 2.106 1.00 0.00 C ATOM 831 CG2 VAL A 59 4.216 4.624 3.348 1.00 0.00 C ATOM 0 H VAL A 59 6.925 3.822 4.898 1.00 0.00 H new ATOM 0 HA VAL A 59 6.437 3.824 1.992 1.00 0.00 H new ATOM 0 HB VAL A 59 5.749 5.874 4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.620 7.113 2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.372 6.982 2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.243 5.945 1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.418 5.335 3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.991 4.092 2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.295 3.910 4.168 1.00 0.00 H new ATOM 841 N SER A 60 8.602 4.938 1.525 1.00 0.00 N ATOM 842 CA SER A 60 9.845 5.623 1.188 1.00 0.00 C ATOM 843 C SER A 60 9.698 6.407 -0.112 1.00 0.00 C ATOM 844 O SER A 60 9.212 5.882 -1.114 1.00 0.00 O ATOM 845 CB SER A 60 10.989 4.616 1.063 1.00 0.00 C ATOM 846 OG SER A 60 12.229 5.207 1.411 1.00 0.00 O ATOM 0 H SER A 60 8.279 4.278 0.817 1.00 0.00 H new ATOM 0 HA SER A 60 10.074 6.324 1.991 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.796 3.760 1.710 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.036 4.239 0.041 1.00 0.00 H new ATOM 0 HG SER A 60 12.944 4.542 1.325 1.00 0.00 H new ATOM 852 N GLU A 61 10.122 7.667 -0.088 1.00 0.00 N ATOM 853 CA GLU A 61 10.036 8.524 -1.265 1.00 0.00 C ATOM 854 C GLU A 61 11.241 8.315 -2.178 1.00 0.00 C ATOM 855 O GLU A 61 12.358 8.718 -1.854 1.00 0.00 O ATOM 856 CB GLU A 61 9.948 9.993 -0.847 1.00 0.00 C ATOM 857 CG GLU A 61 9.806 10.951 -2.018 1.00 0.00 C ATOM 858 CD GLU A 61 9.626 12.390 -1.576 1.00 0.00 C ATOM 859 OE1 GLU A 61 8.751 12.643 -0.722 1.00 0.00 O ATOM 860 OE2 GLU A 61 10.361 13.263 -2.084 1.00 0.00 O ATOM 0 H GLU A 61 10.528 8.116 0.733 1.00 0.00 H new ATOM 0 HA GLU A 61 9.134 8.255 -1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.097 10.121 -0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.841 10.255 -0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.690 10.877 -2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.952 10.652 -2.626 1.00 0.00 H new ATOM 867 N LEU A 62 11.005 7.681 -3.322 1.00 0.00 N ATOM 868 CA LEU A 62 12.069 7.417 -4.284 1.00 0.00 C ATOM 869 C LEU A 62 12.023 8.416 -5.435 1.00 0.00 C ATOM 870 O LEU A 62 13.049 8.963 -5.836 1.00 0.00 O ATOM 871 CB LEU A 62 11.952 5.991 -4.825 1.00 0.00 C ATOM 872 CG LEU A 62 11.694 4.898 -3.788 1.00 0.00 C ATOM 873 CD1 LEU A 62 11.577 3.540 -4.462 1.00 0.00 C ATOM 874 CD2 LEU A 62 12.799 4.884 -2.742 1.00 0.00 C ATOM 0 H LEU A 62 10.086 7.340 -3.606 1.00 0.00 H new ATOM 0 HA LEU A 62 13.024 7.527 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 62 11.145 5.967 -5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.872 5.749 -5.357 1.00 0.00 H new ATOM 0 HG LEU A 62 10.750 5.114 -3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.393 2.774 -3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.750 3.556 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.504 3.315 -4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.599 4.100 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.756 4.693 -3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.834 5.849 -2.237 1.00 0.00 H new ATOM 886 N GLU A 63 10.824 8.650 -5.961 1.00 0.00 N ATOM 887 CA GLU A 63 10.645 9.585 -7.066 1.00 0.00 C ATOM 888 C GLU A 63 9.718 10.729 -6.665 1.00 0.00 C ATOM 889 O GLU A 63 8.855 10.588 -5.799 1.00 0.00 O ATOM 890 CB GLU A 63 10.080 8.861 -8.289 1.00 0.00 C ATOM 891 CG GLU A 63 10.872 7.626 -8.686 1.00 0.00 C ATOM 892 CD GLU A 63 10.003 6.550 -9.308 1.00 0.00 C ATOM 893 OE1 GLU A 63 9.321 6.845 -10.312 1.00 0.00 O ATOM 894 OE2 GLU A 63 10.005 5.414 -8.791 1.00 0.00 O ATOM 0 H GLU A 63 9.964 8.206 -5.640 1.00 0.00 H new ATOM 0 HA GLU A 63 11.620 10.002 -7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.049 8.571 -8.085 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.056 9.553 -9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.652 7.911 -9.392 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.371 7.221 -7.806 1.00 0.00 H new ATOM 901 N PRO A 64 9.900 11.891 -7.310 1.00 0.00 N ATOM 902 CA PRO A 64 9.091 13.083 -7.038 1.00 0.00 C ATOM 903 C PRO A 64 7.652 12.928 -7.520 1.00 0.00 C ATOM 904 O PRO A 64 6.795 13.759 -7.220 1.00 0.00 O ATOM 905 CB PRO A 64 9.804 14.183 -7.828 1.00 0.00 C ATOM 906 CG PRO A 64 10.513 13.465 -8.923 1.00 0.00 C ATOM 907 CD PRO A 64 10.910 12.131 -8.354 1.00 0.00 C ATOM 0 HA PRO A 64 9.013 13.289 -5.970 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.094 14.908 -8.225 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.503 14.733 -7.198 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.866 13.342 -9.792 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.388 14.024 -9.254 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.896 11.350 -9.114 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.918 12.155 -7.940 1.00 0.00 H new ATOM 915 N ASP A 65 7.395 11.861 -8.268 1.00 0.00 N ATOM 916 CA ASP A 65 6.059 11.597 -8.790 1.00 0.00 C ATOM 917 C ASP A 65 5.674 10.136 -8.582 1.00 0.00 C ATOM 918 O ASP A 65 4.647 9.676 -9.082 1.00 0.00 O ATOM 919 CB ASP A 65 5.991 11.949 -10.276 1.00 0.00 C ATOM 920 CG ASP A 65 6.367 10.781 -11.166 1.00 0.00 C ATOM 921 OD1 ASP A 65 7.561 10.416 -11.194 1.00 0.00 O ATOM 922 OD2 ASP A 65 5.466 10.231 -11.834 1.00 0.00 O ATOM 0 H ASP A 65 8.094 11.165 -8.527 1.00 0.00 H new ATOM 0 HA ASP A 65 5.352 12.221 -8.244 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.982 12.279 -10.522 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.659 12.786 -10.479 1.00 0.00 H new ATOM 927 N LYS A 66 6.505 9.409 -7.843 1.00 0.00 N ATOM 928 CA LYS A 66 6.252 7.999 -7.569 1.00 0.00 C ATOM 929 C LYS A 66 6.677 7.637 -6.149 1.00 0.00 C ATOM 930 O LYS A 66 7.616 8.217 -5.604 1.00 0.00 O ATOM 931 CB LYS A 66 6.998 7.121 -8.575 1.00 0.00 C ATOM 932 CG LYS A 66 6.287 5.816 -8.888 1.00 0.00 C ATOM 933 CD LYS A 66 7.027 5.018 -9.949 1.00 0.00 C ATOM 934 CE LYS A 66 6.660 3.543 -9.894 1.00 0.00 C ATOM 935 NZ LYS A 66 7.603 2.707 -10.688 1.00 0.00 N ATOM 0 H LYS A 66 7.360 9.773 -7.423 1.00 0.00 H new ATOM 0 HA LYS A 66 5.181 7.822 -7.666 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.137 7.680 -9.500 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.991 6.899 -8.185 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.200 5.221 -7.979 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.274 6.026 -9.230 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.791 5.416 -10.936 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.102 5.132 -9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.661 3.207 -8.857 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.647 3.406 -10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.319 1.709 -10.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.583 3.011 -11.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.566 2.817 -10.311 1.00 0.00 H new ATOM 949 N TYR A 67 5.980 6.674 -5.556 1.00 0.00 N ATOM 950 CA TYR A 67 6.285 6.234 -4.200 1.00 0.00 C ATOM 951 C TYR A 67 6.281 4.712 -4.106 1.00 0.00 C ATOM 952 O TYR A 67 5.653 4.031 -4.916 1.00 0.00 O ATOM 953 CB TYR A 67 5.273 6.820 -3.213 1.00 0.00 C ATOM 954 CG TYR A 67 5.549 8.260 -2.846 1.00 0.00 C ATOM 955 CD1 TYR A 67 5.512 9.262 -3.808 1.00 0.00 C ATOM 956 CD2 TYR A 67 5.848 8.620 -1.537 1.00 0.00 C ATOM 957 CE1 TYR A 67 5.764 10.580 -3.478 1.00 0.00 C ATOM 958 CE2 TYR A 67 6.099 9.935 -1.198 1.00 0.00 C ATOM 959 CZ TYR A 67 6.057 10.911 -2.171 1.00 0.00 C ATOM 960 OH TYR A 67 6.308 12.222 -1.838 1.00 0.00 O ATOM 0 H TYR A 67 5.200 6.183 -5.993 1.00 0.00 H new ATOM 0 HA TYR A 67 7.282 6.592 -3.945 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.274 6.749 -3.644 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.272 6.216 -2.305 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.282 9.006 -4.832 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.885 7.858 -0.772 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.732 11.346 -4.238 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.327 10.198 -0.176 1.00 0.00 H new ATOM 0 HH TYR A 67 7.136 12.274 -1.316 1.00 0.00 H new ATOM 970 N ALA A 68 6.987 4.185 -3.111 1.00 0.00 N ATOM 971 CA ALA A 68 7.064 2.743 -2.908 1.00 0.00 C ATOM 972 C ALA A 68 6.650 2.365 -1.490 1.00 0.00 C ATOM 973 O ALA A 68 7.435 2.490 -0.550 1.00 0.00 O ATOM 974 CB ALA A 68 8.472 2.244 -3.200 1.00 0.00 C ATOM 0 H ALA A 68 7.514 4.735 -2.433 1.00 0.00 H new ATOM 0 HA ALA A 68 6.370 2.266 -3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.516 1.166 -3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.732 2.472 -4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.178 2.736 -2.531 1.00 0.00 H new ATOM 980 N VAL A 69 5.413 1.904 -1.343 1.00 0.00 N ATOM 981 CA VAL A 69 4.894 1.507 -0.039 1.00 0.00 C ATOM 982 C VAL A 69 4.943 -0.007 0.134 1.00 0.00 C ATOM 983 O VAL A 69 4.160 -0.737 -0.474 1.00 0.00 O ATOM 984 CB VAL A 69 3.445 1.989 0.159 1.00 0.00 C ATOM 985 CG1 VAL A 69 2.935 1.595 1.536 1.00 0.00 C ATOM 986 CG2 VAL A 69 3.352 3.494 -0.043 1.00 0.00 C ATOM 0 H VAL A 69 4.751 1.796 -2.111 1.00 0.00 H new ATOM 0 HA VAL A 69 5.530 1.976 0.711 1.00 0.00 H new ATOM 0 HB VAL A 69 2.814 1.506 -0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.910 1.944 1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.964 0.510 1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.566 2.048 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.321 3.817 0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.994 3.998 0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.674 3.746 -1.053 1.00 0.00 H new ATOM 996 N ARG A 70 5.867 -0.472 0.968 1.00 0.00 N ATOM 997 CA ARG A 70 6.019 -1.900 1.222 1.00 0.00 C ATOM 998 C ARG A 70 5.230 -2.319 2.459 1.00 0.00 C ATOM 999 O ARG A 70 5.145 -1.574 3.436 1.00 0.00 O ATOM 1000 CB ARG A 70 7.496 -2.253 1.401 1.00 0.00 C ATOM 1001 CG ARG A 70 7.774 -3.747 1.363 1.00 0.00 C ATOM 1002 CD ARG A 70 7.623 -4.377 2.739 1.00 0.00 C ATOM 1003 NE ARG A 70 8.784 -4.123 3.588 1.00 0.00 N ATOM 1004 CZ ARG A 70 8.834 -4.438 4.877 1.00 0.00 C ATOM 1005 NH1 ARG A 70 7.795 -5.016 5.463 1.00 0.00 N ATOM 1006 NH2 ARG A 70 9.927 -4.176 5.583 1.00 0.00 N ATOM 0 H ARG A 70 6.522 0.119 1.480 1.00 0.00 H new ATOM 0 HA ARG A 70 5.625 -2.441 0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.075 -1.764 0.618 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.844 -1.851 2.353 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.089 -4.228 0.664 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.784 -3.921 0.991 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.728 -3.984 3.221 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.481 -5.452 2.632 1.00 0.00 H new ATOM 0 HE ARG A 70 9.601 -3.680 3.168 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.954 -5.220 4.924 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.837 -5.257 6.453 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.729 -3.732 5.135 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.965 -4.418 6.573 1.00 0.00 H new ATOM 1020 N PHE A 71 4.654 -3.516 2.410 1.00 0.00 N ATOM 1021 CA PHE A 71 3.871 -4.034 3.525 1.00 0.00 C ATOM 1022 C PHE A 71 3.791 -5.557 3.473 1.00 0.00 C ATOM 1023 O PHE A 71 3.950 -6.161 2.412 1.00 0.00 O ATOM 1024 CB PHE A 71 2.462 -3.437 3.508 1.00 0.00 C ATOM 1025 CG PHE A 71 1.578 -4.020 2.443 1.00 0.00 C ATOM 1026 CD1 PHE A 71 1.779 -3.707 1.108 1.00 0.00 C ATOM 1027 CD2 PHE A 71 0.545 -4.881 2.777 1.00 0.00 C ATOM 1028 CE1 PHE A 71 0.967 -4.242 0.126 1.00 0.00 C ATOM 1029 CE2 PHE A 71 -0.270 -5.419 1.799 1.00 0.00 C ATOM 1030 CZ PHE A 71 -0.060 -5.098 0.472 1.00 0.00 C ATOM 0 H PHE A 71 4.715 -4.145 1.610 1.00 0.00 H new ATOM 0 HA PHE A 71 4.369 -3.745 4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.997 -3.594 4.481 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.534 -2.360 3.360 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.580 -3.037 0.832 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.375 -5.134 3.813 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.135 -3.991 -0.911 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.071 -6.090 2.072 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.698 -5.516 -0.293 1.00 0.00 H new ATOM 1040 N ILE A 72 3.545 -6.170 4.626 1.00 0.00 N ATOM 1041 CA ILE A 72 3.444 -7.621 4.711 1.00 0.00 C ATOM 1042 C ILE A 72 1.988 -8.066 4.810 1.00 0.00 C ATOM 1043 O ILE A 72 1.392 -8.090 5.887 1.00 0.00 O ATOM 1044 CB ILE A 72 4.220 -8.169 5.924 1.00 0.00 C ATOM 1045 CG1 ILE A 72 5.713 -7.870 5.779 1.00 0.00 C ATOM 1046 CG2 ILE A 72 3.986 -9.665 6.070 1.00 0.00 C ATOM 1047 CD1 ILE A 72 6.502 -8.103 7.048 1.00 0.00 C ATOM 0 H ILE A 72 3.412 -5.685 5.513 1.00 0.00 H new ATOM 0 HA ILE A 72 3.883 -8.022 3.797 1.00 0.00 H new ATOM 0 HB ILE A 72 3.855 -7.674 6.824 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.125 -8.493 4.985 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.839 -6.833 5.468 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.541 -10.038 6.931 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.922 -9.855 6.214 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.327 -10.176 5.170 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.552 -7.871 6.871 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.117 -7.460 7.839 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.407 -9.146 7.349 1.00 0.00 H new ATOM 1059 N PRO A 73 1.401 -8.429 3.660 1.00 0.00 N ATOM 1060 CA PRO A 73 0.009 -8.883 3.591 1.00 0.00 C ATOM 1061 C PRO A 73 -0.189 -10.249 4.238 1.00 0.00 C ATOM 1062 O PRO A 73 -0.200 -11.274 3.555 1.00 0.00 O ATOM 1063 CB PRO A 73 -0.265 -8.958 2.087 1.00 0.00 C ATOM 1064 CG PRO A 73 1.074 -9.165 1.468 1.00 0.00 C ATOM 1065 CD PRO A 73 2.052 -8.426 2.339 1.00 0.00 C ATOM 0 HA PRO A 73 -0.664 -8.215 4.128 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.942 -9.778 1.848 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.732 -8.043 1.724 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.321 -10.226 1.417 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.095 -8.784 0.447 1.00 0.00 H new ATOM 0 HD2 PRO A 73 3.021 -8.924 2.367 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.225 -7.412 1.978 1.00 0.00 H new ATOM 1073 N HIS A 74 -0.345 -10.258 5.558 1.00 0.00 N ATOM 1074 CA HIS A 74 -0.543 -11.500 6.297 1.00 0.00 C ATOM 1075 C HIS A 74 -1.831 -11.447 7.112 1.00 0.00 C ATOM 1076 O HIS A 74 -1.893 -10.788 8.150 1.00 0.00 O ATOM 1077 CB HIS A 74 0.647 -11.765 7.218 1.00 0.00 C ATOM 1078 CG HIS A 74 0.719 -10.832 8.388 1.00 0.00 C ATOM 1079 ND1 HIS A 74 1.014 -9.491 8.263 1.00 0.00 N ATOM 1080 CD2 HIS A 74 0.531 -11.053 9.710 1.00 0.00 C ATOM 1081 CE1 HIS A 74 1.006 -8.928 9.458 1.00 0.00 C ATOM 1082 NE2 HIS A 74 0.714 -9.854 10.353 1.00 0.00 N ATOM 0 H HIS A 74 -0.338 -9.419 6.138 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.623 -12.314 5.577 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.591 -12.790 7.584 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.568 -11.682 6.641 1.00 0.00 H new ATOM 0 HD1 HIS A 74 1.208 -9.009 7.385 1.00 0.00 H new ATOM 0 HD2 HIS A 74 0.283 -11.997 10.173 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.205 -7.887 9.667 1.00 0.00 H new ATOM 1090 N GLU A 75 -2.857 -12.145 6.635 1.00 0.00 N ATOM 1091 CA GLU A 75 -4.144 -12.175 7.320 1.00 0.00 C ATOM 1092 C GLU A 75 -4.814 -13.537 7.161 1.00 0.00 C ATOM 1093 O GLU A 75 -4.341 -14.388 6.409 1.00 0.00 O ATOM 1094 CB GLU A 75 -5.062 -11.077 6.778 1.00 0.00 C ATOM 1095 CG GLU A 75 -6.137 -10.642 7.760 1.00 0.00 C ATOM 1096 CD GLU A 75 -5.609 -10.487 9.172 1.00 0.00 C ATOM 1097 OE1 GLU A 75 -4.652 -9.708 9.365 1.00 0.00 O ATOM 1098 OE2 GLU A 75 -6.152 -11.144 10.085 1.00 0.00 O ATOM 0 H GLU A 75 -2.822 -12.697 5.778 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.965 -11.999 8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.458 -10.211 6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.539 -11.432 5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.564 -9.695 7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.945 -11.374 7.756 1.00 0.00 H new ATOM 1105 N ASN A 76 -5.917 -13.735 7.875 1.00 0.00 N ATOM 1106 CA ASN A 76 -6.652 -14.993 7.814 1.00 0.00 C ATOM 1107 C ASN A 76 -7.853 -14.877 6.881 1.00 0.00 C ATOM 1108 O ASN A 76 -8.590 -15.841 6.678 1.00 0.00 O ATOM 1109 CB ASN A 76 -7.115 -15.405 9.213 1.00 0.00 C ATOM 1110 CG ASN A 76 -8.422 -14.744 9.607 1.00 0.00 C ATOM 1111 OD1 ASN A 76 -9.493 -15.339 9.484 1.00 0.00 O ATOM 1112 ND2 ASN A 76 -8.339 -13.507 10.083 1.00 0.00 N ATOM 0 H ASN A 76 -6.322 -13.040 8.503 1.00 0.00 H new ATOM 0 HA ASN A 76 -5.983 -15.758 7.420 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.233 -16.488 9.249 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.345 -15.144 9.939 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.185 -13.011 10.364 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -7.430 -13.053 10.167 1.00 0.00 H new ATOM 1119 N GLY A 77 -8.044 -13.689 6.316 1.00 0.00 N ATOM 1120 CA GLY A 77 -9.157 -13.468 5.411 1.00 0.00 C ATOM 1121 C GLY A 77 -8.876 -12.372 4.403 1.00 0.00 C ATOM 1122 O GLY A 77 -8.111 -12.568 3.458 1.00 0.00 O ATOM 0 H GLY A 77 -7.448 -12.876 6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.381 -14.395 4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.044 -13.208 5.988 1.00 0.00 H new ATOM 1126 N VAL A 78 -9.498 -11.214 4.601 1.00 0.00 N ATOM 1127 CA VAL A 78 -9.311 -10.082 3.702 1.00 0.00 C ATOM 1128 C VAL A 78 -8.563 -8.948 4.393 1.00 0.00 C ATOM 1129 O VAL A 78 -8.637 -8.794 5.613 1.00 0.00 O ATOM 1130 CB VAL A 78 -10.660 -9.550 3.182 1.00 0.00 C ATOM 1131 CG1 VAL A 78 -10.451 -8.312 2.323 1.00 0.00 C ATOM 1132 CG2 VAL A 78 -11.394 -10.631 2.403 1.00 0.00 C ATOM 0 H VAL A 78 -10.136 -11.035 5.377 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.721 -10.442 2.859 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.274 -9.270 4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.415 -7.951 1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.970 -7.535 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.818 -8.563 1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.345 -10.238 2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.786 -10.944 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.578 -11.487 3.053 1.00 0.00 H new ATOM 1142 N HIS A 79 -7.842 -8.155 3.606 1.00 0.00 N ATOM 1143 CA HIS A 79 -7.080 -7.033 4.143 1.00 0.00 C ATOM 1144 C HIS A 79 -7.680 -5.705 3.693 1.00 0.00 C ATOM 1145 O HIS A 79 -8.397 -5.641 2.694 1.00 0.00 O ATOM 1146 CB HIS A 79 -5.619 -7.123 3.699 1.00 0.00 C ATOM 1147 CG HIS A 79 -5.078 -8.520 3.698 1.00 0.00 C ATOM 1148 ND1 HIS A 79 -3.970 -8.898 4.426 1.00 0.00 N ATOM 1149 CD2 HIS A 79 -5.501 -9.632 3.054 1.00 0.00 C ATOM 1150 CE1 HIS A 79 -3.733 -10.182 4.228 1.00 0.00 C ATOM 1151 NE2 HIS A 79 -4.648 -10.652 3.400 1.00 0.00 N ATOM 0 H HIS A 79 -7.770 -8.269 2.595 1.00 0.00 H new ATOM 0 HA HIS A 79 -7.125 -7.082 5.231 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.526 -6.706 2.696 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.009 -6.506 4.359 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.419 -8.282 5.024 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.351 -9.704 2.391 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.928 -10.751 4.668 1.00 0.00 H new ATOM 1159 N THR A 80 -7.382 -4.644 4.438 1.00 0.00 N ATOM 1160 CA THR A 80 -7.893 -3.318 4.117 1.00 0.00 C ATOM 1161 C THR A 80 -6.792 -2.268 4.206 1.00 0.00 C ATOM 1162 O THR A 80 -6.173 -2.091 5.255 1.00 0.00 O ATOM 1163 CB THR A 80 -9.046 -2.917 5.058 1.00 0.00 C ATOM 1164 OG1 THR A 80 -10.013 -3.970 5.124 1.00 0.00 O ATOM 1165 CG2 THR A 80 -9.714 -1.637 4.580 1.00 0.00 C ATOM 0 H THR A 80 -6.789 -4.678 5.267 1.00 0.00 H new ATOM 0 HA THR A 80 -8.267 -3.363 3.094 1.00 0.00 H new ATOM 0 HB THR A 80 -8.631 -2.743 6.051 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.741 -3.708 5.725 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.524 -1.374 5.260 1.00 0.00 H new ATOM 0 HG22 THR A 80 -8.981 -0.830 4.559 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.116 -1.788 3.578 1.00 0.00 H new ATOM 1173 N ILE A 81 -6.553 -1.573 3.099 1.00 0.00 N ATOM 1174 CA ILE A 81 -5.526 -0.539 3.053 1.00 0.00 C ATOM 1175 C ILE A 81 -6.137 0.849 3.214 1.00 0.00 C ATOM 1176 O ILE A 81 -6.946 1.281 2.393 1.00 0.00 O ATOM 1177 CB ILE A 81 -4.734 -0.590 1.733 1.00 0.00 C ATOM 1178 CG1 ILE A 81 -4.077 -1.960 1.559 1.00 0.00 C ATOM 1179 CG2 ILE A 81 -3.687 0.514 1.701 1.00 0.00 C ATOM 1180 CD1 ILE A 81 -3.819 -2.328 0.114 1.00 0.00 C ATOM 0 H ILE A 81 -7.056 -1.707 2.222 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.846 -0.732 3.882 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.426 -0.433 0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.132 -1.973 2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.715 -2.720 2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.135 0.465 0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.178 1.484 1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.997 0.385 2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.352 -3.312 0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.763 -2.348 -0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.156 -1.589 -0.337 1.00 0.00 H new ATOM 1192 N ASP A 82 -5.742 1.543 4.275 1.00 0.00 N ATOM 1193 CA ASP A 82 -6.247 2.885 4.543 1.00 0.00 C ATOM 1194 C ASP A 82 -5.275 3.944 4.033 1.00 0.00 C ATOM 1195 O ASP A 82 -4.250 4.213 4.659 1.00 0.00 O ATOM 1196 CB ASP A 82 -6.487 3.073 6.042 1.00 0.00 C ATOM 1197 CG ASP A 82 -7.754 2.391 6.516 1.00 0.00 C ATOM 1198 OD1 ASP A 82 -8.042 1.275 6.036 1.00 0.00 O ATOM 1199 OD2 ASP A 82 -8.459 2.973 7.367 1.00 0.00 O ATOM 0 H ASP A 82 -5.073 1.199 4.964 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.193 3.003 4.014 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.636 2.677 6.596 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.545 4.138 6.267 1.00 0.00 H new ATOM 1204 N VAL A 83 -5.603 4.541 2.892 1.00 0.00 N ATOM 1205 CA VAL A 83 -4.759 5.571 2.297 1.00 0.00 C ATOM 1206 C VAL A 83 -5.400 6.948 2.425 1.00 0.00 C ATOM 1207 O VAL A 83 -6.460 7.208 1.855 1.00 0.00 O ATOM 1208 CB VAL A 83 -4.484 5.281 0.810 1.00 0.00 C ATOM 1209 CG1 VAL A 83 -3.594 6.360 0.211 1.00 0.00 C ATOM 1210 CG2 VAL A 83 -3.854 3.906 0.643 1.00 0.00 C ATOM 0 H VAL A 83 -6.448 4.329 2.361 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.815 5.561 2.842 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.434 5.288 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.411 6.138 -0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.088 7.328 0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.645 6.388 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.666 3.718 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.912 3.868 1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.531 3.146 1.032 1.00 0.00 H new ATOM 1220 N LYS A 84 -4.750 7.829 3.178 1.00 0.00 N ATOM 1221 CA LYS A 84 -5.254 9.182 3.381 1.00 0.00 C ATOM 1222 C LYS A 84 -4.307 10.213 2.775 1.00 0.00 C ATOM 1223 O LYS A 84 -3.117 10.236 3.089 1.00 0.00 O ATOM 1224 CB LYS A 84 -5.440 9.461 4.874 1.00 0.00 C ATOM 1225 CG LYS A 84 -6.698 8.840 5.457 1.00 0.00 C ATOM 1226 CD LYS A 84 -6.599 8.692 6.966 1.00 0.00 C ATOM 1227 CE LYS A 84 -7.974 8.586 7.607 1.00 0.00 C ATOM 1228 NZ LYS A 84 -7.919 8.804 9.079 1.00 0.00 N ATOM 0 H LYS A 84 -3.872 7.630 3.658 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.219 9.262 2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.573 9.083 5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.470 10.539 5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.560 9.459 5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.866 7.862 5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.014 7.805 7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.067 9.548 7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.642 9.320 7.156 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.396 7.602 7.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.876 8.723 9.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.302 8.088 9.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.541 9.753 9.276 1.00 0.00 H new ATOM 1242 N PHE A 85 -4.842 11.063 1.906 1.00 0.00 N ATOM 1243 CA PHE A 85 -4.044 12.097 1.256 1.00 0.00 C ATOM 1244 C PHE A 85 -4.458 13.485 1.735 1.00 0.00 C ATOM 1245 O PHE A 85 -5.459 14.037 1.280 1.00 0.00 O ATOM 1246 CB PHE A 85 -4.191 12.004 -0.264 1.00 0.00 C ATOM 1247 CG PHE A 85 -3.130 12.756 -1.015 1.00 0.00 C ATOM 1248 CD1 PHE A 85 -1.831 12.275 -1.074 1.00 0.00 C ATOM 1249 CD2 PHE A 85 -3.431 13.943 -1.664 1.00 0.00 C ATOM 1250 CE1 PHE A 85 -0.853 12.965 -1.764 1.00 0.00 C ATOM 1251 CE2 PHE A 85 -2.456 14.637 -2.356 1.00 0.00 C ATOM 1252 CZ PHE A 85 -1.166 14.147 -2.407 1.00 0.00 C ATOM 0 H PHE A 85 -5.825 11.057 1.635 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.000 11.937 1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.161 10.956 -0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.170 12.389 -0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.581 11.350 -0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.439 14.330 -1.629 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.156 12.581 -1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.703 15.562 -2.856 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.403 14.687 -2.949 1.00 0.00 H new ATOM 1262 N ASN A 86 -3.681 14.043 2.658 1.00 0.00 N ATOM 1263 CA ASN A 86 -3.966 15.366 3.200 1.00 0.00 C ATOM 1264 C ASN A 86 -5.259 15.355 4.010 1.00 0.00 C ATOM 1265 O ASN A 86 -5.998 16.338 4.033 1.00 0.00 O ATOM 1266 CB ASN A 86 -4.069 16.392 2.069 1.00 0.00 C ATOM 1267 CG ASN A 86 -3.783 17.804 2.542 1.00 0.00 C ATOM 1268 OD1 ASN A 86 -3.970 18.128 3.715 1.00 0.00 O ATOM 1269 ND2 ASN A 86 -3.327 18.653 1.628 1.00 0.00 N ATOM 0 H ASN A 86 -2.849 13.599 3.046 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.146 15.645 3.861 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.368 16.128 1.277 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.068 16.352 1.636 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.117 19.617 1.887 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.187 18.341 0.667 1.00 0.00 H new ATOM 1276 N GLY A 87 -5.526 14.234 4.674 1.00 0.00 N ATOM 1277 CA GLY A 87 -6.729 14.115 5.476 1.00 0.00 C ATOM 1278 C GLY A 87 -7.963 13.853 4.636 1.00 0.00 C ATOM 1279 O GLY A 87 -8.997 14.494 4.823 1.00 0.00 O ATOM 0 H GLY A 87 -4.930 13.406 4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.604 13.305 6.195 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.872 15.031 6.049 1.00 0.00 H new ATOM 1283 N SER A 88 -7.854 12.910 3.705 1.00 0.00 N ATOM 1284 CA SER A 88 -8.969 12.570 2.829 1.00 0.00 C ATOM 1285 C SER A 88 -8.756 11.202 2.186 1.00 0.00 C ATOM 1286 O SER A 88 -7.775 10.984 1.475 1.00 0.00 O ATOM 1287 CB SER A 88 -9.136 13.635 1.744 1.00 0.00 C ATOM 1288 OG SER A 88 -10.298 13.395 0.969 1.00 0.00 O ATOM 0 H SER A 88 -7.006 12.369 3.538 1.00 0.00 H new ATOM 0 HA SER A 88 -9.875 12.532 3.433 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.199 14.621 2.204 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.258 13.641 1.097 1.00 0.00 H new ATOM 0 HG SER A 88 -10.383 14.090 0.284 1.00 0.00 H new ATOM 1294 N HIS A 89 -9.683 10.285 2.441 1.00 0.00 N ATOM 1295 CA HIS A 89 -9.598 8.938 1.888 1.00 0.00 C ATOM 1296 C HIS A 89 -9.598 8.976 0.362 1.00 0.00 C ATOM 1297 O HIS A 89 -10.655 8.998 -0.268 1.00 0.00 O ATOM 1298 CB HIS A 89 -10.764 8.084 2.388 1.00 0.00 C ATOM 1299 CG HIS A 89 -10.645 7.692 3.828 1.00 0.00 C ATOM 1300 ND1 HIS A 89 -9.797 6.699 4.271 1.00 0.00 N ATOM 1301 CD2 HIS A 89 -11.271 8.169 4.930 1.00 0.00 C ATOM 1302 CE1 HIS A 89 -9.909 6.580 5.582 1.00 0.00 C ATOM 1303 NE2 HIS A 89 -10.797 7.460 6.006 1.00 0.00 N ATOM 0 H HIS A 89 -10.502 10.450 3.027 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.661 8.493 2.223 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.694 8.634 2.246 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.831 7.183 1.779 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.006 8.960 4.957 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -9.366 5.881 6.202 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -11.084 7.592 6.976 1.00 0.00 H new ATOM 1311 N VAL A 90 -8.405 8.986 -0.224 1.00 0.00 N ATOM 1312 CA VAL A 90 -8.268 9.022 -1.676 1.00 0.00 C ATOM 1313 C VAL A 90 -9.363 8.205 -2.352 1.00 0.00 C ATOM 1314 O VAL A 90 -9.713 7.117 -1.895 1.00 0.00 O ATOM 1315 CB VAL A 90 -6.894 8.487 -2.122 1.00 0.00 C ATOM 1316 CG1 VAL A 90 -5.774 9.328 -1.527 1.00 0.00 C ATOM 1317 CG2 VAL A 90 -6.739 7.025 -1.732 1.00 0.00 C ATOM 0 H VAL A 90 -7.520 8.970 0.283 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.360 10.065 -1.977 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.831 8.558 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.811 8.935 -1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.877 10.360 -1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.831 9.292 -0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.763 6.664 -2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.823 6.926 -0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.521 6.436 -2.212 1.00 0.00 H new ATOM 1327 N VAL A 91 -9.901 8.737 -3.445 1.00 0.00 N ATOM 1328 CA VAL A 91 -10.956 8.057 -4.186 1.00 0.00 C ATOM 1329 C VAL A 91 -10.742 6.548 -4.187 1.00 0.00 C ATOM 1330 O VAL A 91 -9.670 6.063 -4.547 1.00 0.00 O ATOM 1331 CB VAL A 91 -11.030 8.556 -5.642 1.00 0.00 C ATOM 1332 CG1 VAL A 91 -9.659 8.495 -6.297 1.00 0.00 C ATOM 1333 CG2 VAL A 91 -12.044 7.743 -6.432 1.00 0.00 C ATOM 0 H VAL A 91 -9.623 9.637 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.895 8.287 -3.683 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.357 9.596 -5.636 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.731 8.851 -7.325 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.963 9.124 -5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.300 7.466 -6.294 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.084 8.109 -7.458 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.749 6.694 -6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.028 7.843 -5.973 1.00 0.00 H new ATOM 1343 N GLY A 92 -11.771 5.809 -3.782 1.00 0.00 N ATOM 1344 CA GLY A 92 -11.675 4.362 -3.744 1.00 0.00 C ATOM 1345 C GLY A 92 -10.933 3.861 -2.521 1.00 0.00 C ATOM 1346 O GLY A 92 -10.219 2.860 -2.585 1.00 0.00 O ATOM 0 H GLY A 92 -12.669 6.187 -3.480 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.677 3.934 -3.757 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.167 4.011 -4.642 1.00 0.00 H new ATOM 1350 N SER A 93 -11.099 4.560 -1.403 1.00 0.00 N ATOM 1351 CA SER A 93 -10.435 4.185 -0.160 1.00 0.00 C ATOM 1352 C SER A 93 -11.445 4.040 0.974 1.00 0.00 C ATOM 1353 O SER A 93 -12.448 4.751 1.040 1.00 0.00 O ATOM 1354 CB SER A 93 -9.377 5.226 0.213 1.00 0.00 C ATOM 1355 OG SER A 93 -8.945 5.057 1.552 1.00 0.00 O ATOM 0 H SER A 93 -11.688 5.390 -1.332 1.00 0.00 H new ATOM 0 HA SER A 93 -9.948 3.222 -0.314 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.525 5.140 -0.461 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.786 6.228 0.083 1.00 0.00 H new ATOM 0 HG SER A 93 -9.451 5.659 2.137 1.00 0.00 H new ATOM 1361 N PRO A 94 -11.175 3.097 1.889 1.00 0.00 N ATOM 1362 CA PRO A 94 -9.985 2.245 1.820 1.00 0.00 C ATOM 1363 C PRO A 94 -10.052 1.247 0.669 1.00 0.00 C ATOM 1364 O PRO A 94 -11.043 1.190 -0.059 1.00 0.00 O ATOM 1365 CB PRO A 94 -9.995 1.512 3.164 1.00 0.00 C ATOM 1366 CG PRO A 94 -11.425 1.508 3.582 1.00 0.00 C ATOM 1367 CD PRO A 94 -12.012 2.790 3.061 1.00 0.00 C ATOM 0 HA PRO A 94 -9.079 2.824 1.641 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.609 0.498 3.065 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.369 2.021 3.897 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -11.949 0.644 3.173 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.514 1.450 4.667 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.060 2.670 2.786 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.967 3.584 3.806 1.00 0.00 H new ATOM 1375 N PHE A 95 -8.992 0.462 0.509 1.00 0.00 N ATOM 1376 CA PHE A 95 -8.931 -0.534 -0.554 1.00 0.00 C ATOM 1377 C PHE A 95 -9.040 -1.945 0.015 1.00 0.00 C ATOM 1378 O PHE A 95 -8.660 -2.197 1.158 1.00 0.00 O ATOM 1379 CB PHE A 95 -7.627 -0.389 -1.343 1.00 0.00 C ATOM 1380 CG PHE A 95 -7.628 0.773 -2.295 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -8.305 0.697 -3.501 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -6.952 1.942 -1.983 1.00 0.00 C ATOM 1383 CE1 PHE A 95 -8.307 1.764 -4.379 1.00 0.00 C ATOM 1384 CE2 PHE A 95 -6.951 3.013 -2.857 1.00 0.00 C ATOM 1385 CZ PHE A 95 -7.630 2.924 -4.056 1.00 0.00 C ATOM 0 H PHE A 95 -8.163 0.496 1.102 1.00 0.00 H new ATOM 0 HA PHE A 95 -9.774 -0.366 -1.224 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.799 -0.274 -0.643 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -7.446 -1.307 -1.903 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.838 -0.207 -3.758 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.420 2.017 -1.046 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.837 1.691 -5.317 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.420 3.918 -2.602 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.632 3.760 -4.740 1.00 0.00 H new ATOM 1395 N LYS A 96 -9.563 -2.863 -0.791 1.00 0.00 N ATOM 1396 CA LYS A 96 -9.723 -4.250 -0.371 1.00 0.00 C ATOM 1397 C LYS A 96 -8.872 -5.180 -1.229 1.00 0.00 C ATOM 1398 O LYS A 96 -8.746 -4.984 -2.438 1.00 0.00 O ATOM 1399 CB LYS A 96 -11.194 -4.663 -0.456 1.00 0.00 C ATOM 1400 CG LYS A 96 -11.764 -4.595 -1.862 1.00 0.00 C ATOM 1401 CD LYS A 96 -12.930 -5.553 -2.038 1.00 0.00 C ATOM 1402 CE LYS A 96 -14.210 -4.990 -1.439 1.00 0.00 C ATOM 1403 NZ LYS A 96 -14.950 -4.139 -2.412 1.00 0.00 N ATOM 0 H LYS A 96 -9.884 -2.671 -1.740 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.388 -4.332 0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.300 -5.680 -0.079 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.782 -4.018 0.197 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.093 -3.578 -2.073 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.983 -4.834 -2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.081 -5.753 -3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.694 -6.506 -1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.850 -5.810 -1.113 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.969 -4.403 -0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.816 -3.774 -1.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.349 -3.342 -2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.203 -4.706 -3.247 1.00 0.00 H new ATOM 1417 N VAL A 97 -8.289 -6.194 -0.596 1.00 0.00 N ATOM 1418 CA VAL A 97 -7.452 -7.156 -1.302 1.00 0.00 C ATOM 1419 C VAL A 97 -7.325 -8.455 -0.515 1.00 0.00 C ATOM 1420 O VAL A 97 -7.029 -8.443 0.680 1.00 0.00 O ATOM 1421 CB VAL A 97 -6.045 -6.588 -1.566 1.00 0.00 C ATOM 1422 CG1 VAL A 97 -6.126 -5.338 -2.428 1.00 0.00 C ATOM 1423 CG2 VAL A 97 -5.335 -6.295 -0.253 1.00 0.00 C ATOM 0 H VAL A 97 -8.381 -6.370 0.404 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.938 -7.359 -2.256 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.466 -7.336 -2.108 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.122 -4.951 -2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.592 -5.584 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.722 -4.582 -1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.342 -5.894 -0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.910 -5.565 0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.243 -7.215 0.324 1.00 0.00 H new ATOM 1433 N ARG A 98 -7.550 -9.576 -1.193 1.00 0.00 N ATOM 1434 CA ARG A 98 -7.461 -10.885 -0.557 1.00 0.00 C ATOM 1435 C ARG A 98 -6.083 -11.502 -0.774 1.00 0.00 C ATOM 1436 O ARG A 98 -5.459 -11.305 -1.817 1.00 0.00 O ATOM 1437 CB ARG A 98 -8.542 -11.817 -1.108 1.00 0.00 C ATOM 1438 CG ARG A 98 -8.999 -12.873 -0.115 1.00 0.00 C ATOM 1439 CD ARG A 98 -9.479 -14.131 -0.821 1.00 0.00 C ATOM 1440 NE ARG A 98 -10.805 -13.957 -1.408 1.00 0.00 N ATOM 1441 CZ ARG A 98 -11.343 -14.808 -2.275 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -10.673 -15.888 -2.652 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -12.555 -14.580 -2.765 1.00 0.00 N ATOM 0 H ARG A 98 -7.795 -9.604 -2.183 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.616 -10.753 0.514 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -9.402 -11.221 -1.414 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.162 -12.311 -2.002 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.177 -13.122 0.556 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.803 -12.471 0.501 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.769 -14.401 -1.603 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.502 -14.958 -0.112 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.348 -13.137 -1.137 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.742 -16.067 -2.276 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.089 -16.539 -3.318 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -13.074 -13.751 -2.476 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.967 -15.234 -3.431 1.00 0.00 H new ATOM 1457 N VAL A 99 -5.612 -12.250 0.219 1.00 0.00 N ATOM 1458 CA VAL A 99 -4.308 -12.897 0.138 1.00 0.00 C ATOM 1459 C VAL A 99 -4.452 -14.409 0.012 1.00 0.00 C ATOM 1460 O VAL A 99 -5.322 -15.015 0.636 1.00 0.00 O ATOM 1461 CB VAL A 99 -3.443 -12.575 1.371 1.00 0.00 C ATOM 1462 CG1 VAL A 99 -4.006 -13.255 2.610 1.00 0.00 C ATOM 1463 CG2 VAL A 99 -2.000 -12.992 1.133 1.00 0.00 C ATOM 0 H VAL A 99 -6.115 -12.423 1.090 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.816 -12.506 -0.753 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.463 -11.498 1.536 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.382 -13.016 3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.022 -12.902 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.018 -14.334 2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.403 -12.757 2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.958 -14.064 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.603 -12.454 0.272 1.00 0.00 H new ATOM 1473 N GLY A 100 -3.590 -15.015 -0.800 1.00 0.00 N ATOM 1474 CA GLY A 100 -3.637 -16.453 -0.992 1.00 0.00 C ATOM 1475 C GLY A 100 -3.053 -16.879 -2.325 1.00 0.00 C ATOM 1476 O GLY A 100 -2.812 -16.046 -3.198 1.00 0.00 O ATOM 0 H GLY A 100 -2.861 -14.536 -1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.090 -16.942 -0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.671 -16.792 -0.927 1.00 0.00 H new ATOM 1480 N GLU A 101 -2.825 -18.179 -2.481 1.00 0.00 N ATOM 1481 CA GLU A 101 -2.263 -18.712 -3.716 1.00 0.00 C ATOM 1482 C GLU A 101 -3.354 -19.322 -4.591 1.00 0.00 C ATOM 1483 O GLU A 101 -4.312 -19.924 -4.104 1.00 0.00 O ATOM 1484 CB GLU A 101 -1.196 -19.764 -3.404 1.00 0.00 C ATOM 1485 CG GLU A 101 -1.768 -21.087 -2.922 1.00 0.00 C ATOM 1486 CD GLU A 101 -2.177 -21.047 -1.462 1.00 0.00 C ATOM 1487 OE1 GLU A 101 -3.301 -20.587 -1.172 1.00 0.00 O ATOM 1488 OE2 GLU A 101 -1.373 -21.478 -0.609 1.00 0.00 O ATOM 0 H GLU A 101 -3.021 -18.882 -1.768 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.802 -17.888 -4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -0.599 -19.940 -4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.522 -19.371 -2.643 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.633 -21.348 -3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.027 -21.873 -3.067 1.00 0.00 H new ATOM 1495 N PRO A 102 -3.208 -19.163 -5.915 1.00 0.00 N ATOM 1496 CA PRO A 102 -4.171 -19.690 -6.887 1.00 0.00 C ATOM 1497 C PRO A 102 -4.139 -21.212 -6.968 1.00 0.00 C ATOM 1498 O PRO A 102 -4.922 -21.822 -7.694 1.00 0.00 O ATOM 1499 CB PRO A 102 -3.712 -19.074 -8.211 1.00 0.00 C ATOM 1500 CG PRO A 102 -2.260 -18.802 -8.019 1.00 0.00 C ATOM 1501 CD PRO A 102 -2.092 -18.456 -6.565 1.00 0.00 C ATOM 0 HA PRO A 102 -5.198 -19.442 -6.619 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -3.880 -19.756 -9.044 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.260 -18.158 -8.433 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -1.661 -19.673 -8.284 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -1.929 -17.982 -8.656 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -1.128 -18.789 -6.182 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.147 -17.380 -6.399 1.00 0.00 H new ATOM 1509 N GLY A 103 -3.226 -21.821 -6.216 1.00 0.00 N ATOM 1510 CA GLY A 103 -3.109 -23.268 -6.218 1.00 0.00 C ATOM 1511 C GLY A 103 -1.910 -23.752 -7.008 1.00 0.00 C ATOM 1512 O GLY A 103 -0.796 -23.263 -6.819 1.00 0.00 O ATOM 0 H GLY A 103 -2.566 -21.338 -5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.031 -23.624 -5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -4.016 -23.702 -6.638 1.00 0.00 H new ATOM 1516 N GLN A 104 -2.137 -24.715 -7.895 1.00 0.00 N ATOM 1517 CA GLN A 104 -1.065 -25.267 -8.715 1.00 0.00 C ATOM 1518 C GLN A 104 -0.043 -26.000 -7.853 1.00 0.00 C ATOM 1519 O GLN A 104 1.160 -25.923 -8.099 1.00 0.00 O ATOM 1520 CB GLN A 104 -0.377 -24.154 -9.508 1.00 0.00 C ATOM 1521 CG GLN A 104 0.337 -24.648 -10.756 1.00 0.00 C ATOM 1522 CD GLN A 104 -0.618 -25.216 -11.788 1.00 0.00 C ATOM 1523 OE1 GLN A 104 -1.737 -24.728 -11.949 1.00 0.00 O ATOM 1524 NE2 GLN A 104 -0.179 -26.251 -12.494 1.00 0.00 N ATOM 0 H GLN A 104 -3.054 -25.129 -8.064 1.00 0.00 H new ATOM 0 HA GLN A 104 -1.505 -25.981 -9.411 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -1.121 -23.411 -9.795 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.343 -23.651 -8.863 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.897 -23.825 -11.199 1.00 0.00 H new ATOM 0 HG3 GLN A 104 1.061 -25.413 -10.477 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.756 -26.623 -12.327 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -0.777 -26.674 -13.204 1.00 0.00 H new ATOM 1533 N ALA A 105 -0.530 -26.711 -6.842 1.00 0.00 N ATOM 1534 CA ALA A 105 0.341 -27.460 -5.944 1.00 0.00 C ATOM 1535 C ALA A 105 1.132 -28.519 -6.704 1.00 0.00 C ATOM 1536 O ALA A 105 2.362 -28.530 -6.673 1.00 0.00 O ATOM 1537 CB ALA A 105 -0.474 -28.104 -4.833 1.00 0.00 C ATOM 0 H ALA A 105 -1.524 -26.784 -6.624 1.00 0.00 H new ATOM 0 HA ALA A 105 1.051 -26.762 -5.500 1.00 0.00 H new ATOM 0 HB1 ALA A 105 0.189 -28.660 -4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -0.990 -27.330 -4.264 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -1.207 -28.784 -5.267 1.00 0.00 H new ATOM 1543 N GLY A 106 0.418 -29.409 -7.386 1.00 0.00 N ATOM 1544 CA GLY A 106 1.071 -30.460 -8.144 1.00 0.00 C ATOM 1545 C GLY A 106 0.290 -31.760 -8.124 1.00 0.00 C ATOM 1546 O GLY A 106 0.814 -32.800 -7.727 1.00 0.00 O ATOM 0 H GLY A 106 -0.601 -29.421 -7.427 1.00 0.00 H new ATOM 0 HA2 GLY A 106 1.200 -30.133 -9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.067 -30.632 -7.737 1.00 0.00 H new TER 1550 GLY A 106