USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1017 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 90 THR OG1 : rot 180:sc= -1.16 USER MOD Set 1.2: A 93 ASN : amide:sc= -6.51! C(o=-7.7!,f=-13!) USER MOD Set 2.1: A 43 TYR OH : rot -138:sc= 0.624 USER MOD Set 2.2: A 68 HIS : no HD1:sc= -0.203 K(o=0.42,f=-2.3) USER MOD Set 3.1: A 14 GLN :FLIP amide:sc= -2.14 F(o=-9.4,f=-6.6) USER MOD Set 3.2: A 147 ASN :FLIP amide:sc= -4.44! C(o=-7.2!,f=-6.6!) USER MOD Single : A 15 THR OG1 : rot 67:sc= 0.573 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -107:sc= -4.71! (180deg=-12!) USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= -0.349 (180deg=-0.764) USER MOD Single : A 48 GLN : amide:sc= -3.31 K(o=-3.3,f=-6.5!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -179:sc= -1.83 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -170:sc= -8.5! (180deg=-8.84!) USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00241 USER MOD Single : A 72 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.028) USER MOD Single : A 73 SER OG : rot -82:sc= -2.39! USER MOD Single : A 85 TYR OH : rot -84:sc= -0.173 USER MOD Single : A 88 MET CE :methyl -161:sc= -7.41! (180deg=-9.2!) USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.554 F(o=-1.2,f=-0.55) USER MOD Single : A 103 ASN : amide:sc= -2.34 X(o=-2.3,f=-2.6) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 TYR OH : rot -140:sc= -0.762 USER MOD Single : A 108 SER OG : rot 150:sc= -1.79 USER MOD Single : A 109 TYR OH : rot -66:sc= -0.927 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -8.08! C(o=-8.1!,f=-7.9!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 ASN : amide:sc= -1.85 X(o=-1.9,f=-2.2) USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 GLN : amide:sc= -0.396 K(o=-0.4,f=-3.4!) USER MOD Single : A 140 LYS NZ :NH3+ -148:sc= -0.357 (180deg=-1.48!) USER MOD Single : A 144 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.2) USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N ILE A 10 -10.188 -3.903 -17.639 1.00 0.00 N ATOM 23 CA ILE A 10 -9.018 -3.239 -17.082 1.00 0.00 C ATOM 24 C ILE A 10 -9.351 -2.554 -15.756 1.00 0.00 C ATOM 25 O ILE A 10 -8.768 -2.877 -14.721 1.00 0.00 O ATOM 26 CB ILE A 10 -8.436 -2.210 -18.076 1.00 0.00 C ATOM 27 CG1 ILE A 10 -7.642 -2.936 -19.164 1.00 0.00 C ATOM 28 CG2 ILE A 10 -7.555 -1.193 -17.363 1.00 0.00 C ATOM 29 CD1 ILE A 10 -8.352 -2.992 -20.494 1.00 0.00 C ATOM 0 HA ILE A 10 -8.266 -4.006 -16.897 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.262 -1.668 -18.536 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.682 -2.438 -19.295 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.431 -3.952 -18.831 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.160 -0.482 -18.088 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.145 -0.660 -16.617 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.729 -1.708 -16.872 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.730 -3.521 -21.216 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -9.300 -3.517 -20.378 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.539 -1.979 -20.849 1.00 0.00 H new ATOM 41 N ARG A 11 -10.288 -1.612 -15.788 1.00 0.00 N ATOM 42 CA ARG A 11 -10.687 -0.892 -14.580 1.00 0.00 C ATOM 43 C ARG A 11 -10.994 -1.870 -13.449 1.00 0.00 C ATOM 44 O ARG A 11 -10.701 -1.605 -12.282 1.00 0.00 O ATOM 45 CB ARG A 11 -11.909 -0.013 -14.860 1.00 0.00 C ATOM 46 CG ARG A 11 -12.400 0.756 -13.643 1.00 0.00 C ATOM 47 CD ARG A 11 -11.578 2.013 -13.406 1.00 0.00 C ATOM 48 NE ARG A 11 -12.107 3.160 -14.141 1.00 0.00 N ATOM 49 CZ ARG A 11 -13.229 3.797 -13.812 1.00 0.00 C ATOM 50 NH1 ARG A 11 -13.942 3.402 -12.765 1.00 0.00 N ATOM 51 NH2 ARG A 11 -13.638 4.832 -14.532 1.00 0.00 N ATOM 0 H ARG A 11 -10.785 -1.329 -16.633 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.858 -0.254 -14.274 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.663 0.695 -15.651 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.719 -0.640 -15.234 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.447 1.026 -13.781 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.349 0.116 -12.762 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.563 2.241 -12.340 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.546 1.834 -13.708 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.587 3.492 -14.953 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.631 2.606 -12.207 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.801 3.894 -12.518 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.093 5.140 -15.338 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.497 5.320 -14.281 1.00 0.00 H new ATOM 65 N GLU A 12 -11.581 -3.004 -13.807 1.00 0.00 N ATOM 66 CA GLU A 12 -11.920 -4.025 -12.827 1.00 0.00 C ATOM 67 C GLU A 12 -10.664 -4.549 -12.141 1.00 0.00 C ATOM 68 O GLU A 12 -10.614 -4.647 -10.916 1.00 0.00 O ATOM 69 CB GLU A 12 -12.675 -5.176 -13.495 1.00 0.00 C ATOM 70 CG GLU A 12 -14.187 -5.049 -13.399 1.00 0.00 C ATOM 71 CD GLU A 12 -14.874 -6.389 -13.223 1.00 0.00 C ATOM 72 OE1 GLU A 12 -14.716 -7.258 -14.106 1.00 0.00 O ATOM 73 OE2 GLU A 12 -15.571 -6.569 -12.202 1.00 0.00 O ATOM 0 H GLU A 12 -11.832 -3.239 -14.767 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.564 -3.574 -12.072 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.389 -5.226 -14.546 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.368 -6.116 -13.036 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.441 -4.401 -12.560 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.565 -4.566 -14.300 1.00 0.00 H new ATOM 80 N ARG A 13 -9.648 -4.885 -12.935 1.00 0.00 N ATOM 81 CA ARG A 13 -8.399 -5.398 -12.385 1.00 0.00 C ATOM 82 C ARG A 13 -7.768 -4.384 -11.438 1.00 0.00 C ATOM 83 O ARG A 13 -7.125 -4.757 -10.455 1.00 0.00 O ATOM 84 CB ARG A 13 -7.420 -5.782 -13.499 1.00 0.00 C ATOM 85 CG ARG A 13 -6.647 -4.613 -14.098 1.00 0.00 C ATOM 86 CD ARG A 13 -5.161 -4.711 -13.791 1.00 0.00 C ATOM 87 NE ARG A 13 -4.354 -4.757 -15.008 1.00 0.00 N ATOM 88 CZ ARG A 13 -3.177 -5.376 -15.100 1.00 0.00 C ATOM 89 NH1 ARG A 13 -2.659 -5.998 -14.048 1.00 0.00 N ATOM 90 NH2 ARG A 13 -2.515 -5.368 -16.248 1.00 0.00 N ATOM 0 H ARG A 13 -9.666 -4.811 -13.952 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.630 -6.299 -11.817 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.708 -6.507 -13.104 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.974 -6.280 -14.295 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.796 -4.592 -15.178 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.040 -3.676 -13.704 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.858 -3.856 -13.187 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.972 -5.604 -13.196 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.713 -4.286 -15.839 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.162 -6.005 -13.161 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.758 -6.469 -14.127 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.906 -4.889 -17.059 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.614 -5.841 -16.321 1.00 0.00 H new ATOM 104 N GLN A 14 -7.967 -3.101 -11.726 1.00 0.00 N ATOM 105 CA GLN A 14 -7.430 -2.044 -10.882 1.00 0.00 C ATOM 106 C GLN A 14 -7.914 -2.235 -9.453 1.00 0.00 C ATOM 107 O GLN A 14 -7.140 -2.146 -8.498 1.00 0.00 O ATOM 108 CB GLN A 14 -7.864 -0.672 -11.396 1.00 0.00 C ATOM 109 CG GLN A 14 -7.295 -0.324 -12.762 1.00 0.00 C ATOM 110 CD GLN A 14 -7.067 1.163 -12.931 1.00 0.00 C ATOM 111 OE1 GLN A 14 -6.359 1.763 -11.980 1.00 0.00 O flip ATOM 112 NE2 GLN A 14 -7.519 1.766 -13.903 1.00 0.00 N flip ATOM 0 H GLN A 14 -8.494 -2.771 -12.535 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.342 -2.096 -10.908 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.952 -0.640 -11.447 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.556 0.089 -10.679 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.352 -0.852 -12.905 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.977 -0.674 -13.537 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.057 1.264 -14.609 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.355 2.768 -14.003 1.00 0.00 H new ATOM 121 N THR A 15 -9.207 -2.508 -9.320 1.00 0.00 N ATOM 122 CA THR A 15 -9.811 -2.722 -8.016 1.00 0.00 C ATOM 123 C THR A 15 -9.419 -4.080 -7.442 1.00 0.00 C ATOM 124 O THR A 15 -9.359 -4.247 -6.226 1.00 0.00 O ATOM 125 CB THR A 15 -11.332 -2.613 -8.108 1.00 0.00 C ATOM 126 OG1 THR A 15 -11.746 -2.395 -9.445 1.00 0.00 O ATOM 127 CG2 THR A 15 -11.889 -1.491 -7.266 1.00 0.00 C ATOM 0 H THR A 15 -9.856 -2.586 -10.103 1.00 0.00 H new ATOM 0 HA THR A 15 -9.439 -1.948 -7.345 1.00 0.00 H new ATOM 0 HB THR A 15 -11.716 -3.562 -7.734 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.543 -3.188 -9.984 1.00 0.00 H new ATOM 0 HG21 THR A 15 -12.974 -1.461 -7.371 1.00 0.00 H new ATOM 0 HG22 THR A 15 -11.630 -1.657 -6.220 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.467 -0.543 -7.598 1.00 0.00 H new ATOM 135 N VAL A 16 -9.144 -5.050 -8.316 1.00 0.00 N ATOM 136 CA VAL A 16 -8.752 -6.383 -7.861 1.00 0.00 C ATOM 137 C VAL A 16 -7.656 -6.277 -6.810 1.00 0.00 C ATOM 138 O VAL A 16 -7.825 -6.727 -5.677 1.00 0.00 O ATOM 139 CB VAL A 16 -8.262 -7.275 -9.020 1.00 0.00 C ATOM 140 CG1 VAL A 16 -7.730 -8.599 -8.493 1.00 0.00 C ATOM 141 CG2 VAL A 16 -9.381 -7.514 -10.018 1.00 0.00 C ATOM 0 H VAL A 16 -9.185 -4.940 -9.329 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.640 -6.848 -7.432 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.449 -6.757 -9.528 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.390 -9.212 -9.327 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.896 -8.413 -7.816 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.522 -9.122 -7.957 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.017 -8.145 -10.829 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.214 -8.009 -9.519 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.716 -6.560 -10.424 1.00 0.00 H new ATOM 151 N ALA A 17 -6.541 -5.657 -7.183 1.00 0.00 N ATOM 152 CA ALA A 17 -5.439 -5.477 -6.252 1.00 0.00 C ATOM 153 C ALA A 17 -5.897 -4.645 -5.060 1.00 0.00 C ATOM 154 O ALA A 17 -5.790 -5.070 -3.910 1.00 0.00 O ATOM 155 CB ALA A 17 -4.253 -4.812 -6.940 1.00 0.00 C ATOM 0 H ALA A 17 -6.380 -5.275 -8.115 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.119 -6.457 -5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.440 -4.687 -6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.915 -5.436 -7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.554 -3.836 -7.321 1.00 0.00 H new ATOM 161 N LEU A 18 -6.419 -3.456 -5.357 1.00 0.00 N ATOM 162 CA LEU A 18 -6.909 -2.537 -4.331 1.00 0.00 C ATOM 163 C LEU A 18 -7.811 -3.240 -3.319 1.00 0.00 C ATOM 164 O LEU A 18 -7.459 -3.370 -2.147 1.00 0.00 O ATOM 165 CB LEU A 18 -7.678 -1.397 -4.992 1.00 0.00 C ATOM 166 CG LEU A 18 -6.813 -0.360 -5.709 1.00 0.00 C ATOM 167 CD1 LEU A 18 -7.646 0.427 -6.711 1.00 0.00 C ATOM 168 CD2 LEU A 18 -6.158 0.574 -4.702 1.00 0.00 C ATOM 0 H LEU A 18 -6.514 -3.104 -6.310 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.044 -2.148 -3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.379 -1.821 -5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.270 -0.889 -4.230 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.026 -0.882 -6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.015 1.161 -7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.067 -0.255 -7.450 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.454 0.940 -6.189 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.546 1.306 -5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.929 1.090 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.529 -0.004 -4.025 1.00 0.00 H new ATOM 180 N LYS A 19 -8.979 -3.687 -3.780 1.00 0.00 N ATOM 181 CA LYS A 19 -9.938 -4.374 -2.916 1.00 0.00 C ATOM 182 C LYS A 19 -9.242 -5.416 -2.049 1.00 0.00 C ATOM 183 O LYS A 19 -9.661 -5.690 -0.924 1.00 0.00 O ATOM 184 CB LYS A 19 -11.027 -5.045 -3.757 1.00 0.00 C ATOM 185 CG LYS A 19 -12.246 -4.169 -3.989 1.00 0.00 C ATOM 186 CD LYS A 19 -13.350 -4.932 -4.702 1.00 0.00 C ATOM 187 CE LYS A 19 -13.167 -4.900 -6.211 1.00 0.00 C ATOM 188 NZ LYS A 19 -14.207 -5.700 -6.913 1.00 0.00 N ATOM 0 H LYS A 19 -9.284 -3.585 -4.748 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.396 -3.630 -2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.606 -5.329 -4.721 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.340 -5.965 -3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.617 -3.798 -3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.963 -3.298 -4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.359 -5.966 -4.358 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.317 -4.501 -4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.206 -3.868 -6.560 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.180 -5.285 -6.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.047 -5.653 -7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.154 -6.690 -6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.148 -5.317 -6.691 1.00 0.00 H new ATOM 202 N ARG A 20 -8.171 -5.987 -2.584 1.00 0.00 N ATOM 203 CA ARG A 20 -7.403 -6.994 -1.870 1.00 0.00 C ATOM 204 C ARG A 20 -6.490 -6.341 -0.838 1.00 0.00 C ATOM 205 O ARG A 20 -6.579 -6.615 0.356 1.00 0.00 O ATOM 206 CB ARG A 20 -6.569 -7.809 -2.861 1.00 0.00 C ATOM 207 CG ARG A 20 -6.507 -9.293 -2.542 1.00 0.00 C ATOM 208 CD ARG A 20 -5.505 -10.008 -3.435 1.00 0.00 C ATOM 209 NE ARG A 20 -6.015 -11.290 -3.916 1.00 0.00 N ATOM 210 CZ ARG A 20 -5.441 -12.000 -4.885 1.00 0.00 C ATOM 211 NH1 ARG A 20 -4.342 -11.555 -5.481 1.00 0.00 N ATOM 212 NH2 ARG A 20 -5.969 -13.158 -5.260 1.00 0.00 N ATOM 0 H ARG A 20 -7.815 -5.768 -3.514 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.096 -7.656 -1.350 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.983 -7.680 -3.861 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.555 -7.410 -2.882 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.230 -9.431 -1.497 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.494 -9.737 -2.671 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.261 -9.373 -4.287 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.579 -10.171 -2.883 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.860 -11.663 -3.484 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.933 -10.665 -5.197 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.906 -12.103 -6.223 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.814 -13.504 -4.806 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.530 -13.702 -6.002 1.00 0.00 H new ATOM 226 N MET A 21 -5.610 -5.470 -1.312 1.00 0.00 N ATOM 227 CA MET A 21 -4.672 -4.776 -0.438 1.00 0.00 C ATOM 228 C MET A 21 -5.382 -3.837 0.537 1.00 0.00 C ATOM 229 O MET A 21 -4.750 -3.278 1.433 1.00 0.00 O ATOM 230 CB MET A 21 -3.677 -3.980 -1.279 1.00 0.00 C ATOM 231 CG MET A 21 -4.345 -3.048 -2.270 1.00 0.00 C ATOM 232 SD MET A 21 -3.303 -1.659 -2.733 1.00 0.00 S ATOM 233 CE MET A 21 -3.598 -0.543 -1.364 1.00 0.00 C ATOM 0 H MET A 21 -5.525 -5.226 -2.299 1.00 0.00 H new ATOM 0 HA MET A 21 -4.150 -5.531 0.149 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.036 -3.397 -0.617 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.032 -4.673 -1.819 1.00 0.00 H new ATOM 0 HG2 MET A 21 -4.613 -3.609 -3.165 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.273 -2.672 -1.839 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.223 0.285 -1.698 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.104 -1.078 -0.561 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.647 -0.155 -0.999 1.00 0.00 H new ATOM 487 N TRP A 38 -7.333 -4.799 11.268 1.00 0.00 N ATOM 488 CA TRP A 38 -7.102 -3.407 10.902 1.00 0.00 C ATOM 489 C TRP A 38 -5.774 -3.256 10.168 1.00 0.00 C ATOM 490 O TRP A 38 -4.739 -3.723 10.642 1.00 0.00 O ATOM 491 CB TRP A 38 -7.085 -2.524 12.150 1.00 0.00 C ATOM 492 CG TRP A 38 -8.446 -2.132 12.642 1.00 0.00 C ATOM 493 CD1 TRP A 38 -8.984 -2.427 13.858 1.00 0.00 C ATOM 494 CD2 TRP A 38 -9.434 -1.368 11.940 1.00 0.00 C ATOM 495 NE1 TRP A 38 -10.249 -1.903 13.957 1.00 0.00 N ATOM 496 CE2 TRP A 38 -10.549 -1.248 12.793 1.00 0.00 C ATOM 497 CE3 TRP A 38 -9.489 -0.774 10.676 1.00 0.00 C ATOM 498 CZ2 TRP A 38 -11.702 -0.562 12.423 1.00 0.00 C ATOM 499 CZ3 TRP A 38 -10.638 -0.091 10.311 1.00 0.00 C ATOM 500 CH2 TRP A 38 -11.728 0.009 11.183 1.00 0.00 C ATOM 0 HA TRP A 38 -7.914 -3.095 10.245 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.560 -3.050 12.947 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.514 -1.621 11.935 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.487 -2.992 14.633 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -10.865 -1.988 14.766 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.652 -0.846 9.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -12.546 -0.484 13.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -10.693 0.372 9.337 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.609 0.549 10.868 1.00 0.00 H new ATOM 511 N LYS A 39 -5.804 -2.590 9.021 1.00 0.00 N ATOM 512 CA LYS A 39 -4.590 -2.369 8.246 1.00 0.00 C ATOM 513 C LYS A 39 -4.502 -0.918 7.789 1.00 0.00 C ATOM 514 O LYS A 39 -5.497 -0.192 7.789 1.00 0.00 O ATOM 515 CB LYS A 39 -4.520 -3.317 7.046 1.00 0.00 C ATOM 516 CG LYS A 39 -5.662 -3.156 6.061 1.00 0.00 C ATOM 517 CD LYS A 39 -5.823 -4.401 5.204 1.00 0.00 C ATOM 518 CE LYS A 39 -4.642 -4.590 4.263 1.00 0.00 C ATOM 519 NZ LYS A 39 -4.967 -5.514 3.141 1.00 0.00 N ATOM 0 H LYS A 39 -6.650 -2.196 8.609 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.737 -2.581 8.891 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.578 -3.154 6.523 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.510 -4.345 7.409 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.588 -2.960 6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.477 -2.292 5.422 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.920 -5.276 5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.743 -4.328 4.624 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.340 -3.623 3.861 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.792 -4.982 4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.247 -5.423 2.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.981 -6.493 3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.900 -5.272 2.751 1.00 0.00 H new ATOM 533 N VAL A 40 -3.298 -0.497 7.426 1.00 0.00 N ATOM 534 CA VAL A 40 -3.055 0.868 6.995 1.00 0.00 C ATOM 535 C VAL A 40 -2.855 0.944 5.481 1.00 0.00 C ATOM 536 O VAL A 40 -2.562 -0.058 4.832 1.00 0.00 O ATOM 537 CB VAL A 40 -1.812 1.425 7.727 1.00 0.00 C ATOM 538 CG1 VAL A 40 -0.945 2.256 6.796 1.00 0.00 C ATOM 539 CG2 VAL A 40 -2.229 2.227 8.953 1.00 0.00 C ATOM 0 H VAL A 40 -2.468 -1.090 7.423 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.928 1.471 7.245 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.211 0.579 8.060 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.080 2.632 7.343 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.608 1.637 5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.524 3.096 6.412 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.341 2.611 9.456 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.861 3.060 8.645 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.784 1.584 9.637 1.00 0.00 H new ATOM 549 N LEU A 41 -2.998 2.148 4.930 1.00 0.00 N ATOM 550 CA LEU A 41 -2.813 2.362 3.504 1.00 0.00 C ATOM 551 C LEU A 41 -2.019 3.650 3.258 1.00 0.00 C ATOM 552 O LEU A 41 -2.221 4.662 3.930 1.00 0.00 O ATOM 553 CB LEU A 41 -4.173 2.406 2.788 1.00 0.00 C ATOM 554 CG LEU A 41 -4.437 3.648 1.934 1.00 0.00 C ATOM 555 CD1 LEU A 41 -3.769 3.518 0.573 1.00 0.00 C ATOM 556 CD2 LEU A 41 -5.933 3.875 1.779 1.00 0.00 C ATOM 0 H LEU A 41 -3.242 2.989 5.454 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.243 1.528 3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.255 1.526 2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.960 2.330 3.538 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.007 4.512 2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.970 4.412 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.693 3.404 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.165 2.645 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.105 4.762 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.384 3.009 1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.383 4.017 2.761 1.00 0.00 H new ATOM 568 N ILE A 42 -1.118 3.589 2.290 1.00 0.00 N ATOM 569 CA ILE A 42 -0.269 4.714 1.919 1.00 0.00 C ATOM 570 C ILE A 42 -0.250 4.863 0.410 1.00 0.00 C ATOM 571 O ILE A 42 0.382 4.073 -0.291 1.00 0.00 O ATOM 572 CB ILE A 42 1.174 4.515 2.420 1.00 0.00 C ATOM 573 CG1 ILE A 42 1.169 3.880 3.810 1.00 0.00 C ATOM 574 CG2 ILE A 42 1.924 5.838 2.435 1.00 0.00 C ATOM 575 CD1 ILE A 42 0.457 4.713 4.841 1.00 0.00 C ATOM 0 H ILE A 42 -0.953 2.750 1.734 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.679 5.611 2.383 1.00 0.00 H new ATOM 0 HB ILE A 42 1.689 3.842 1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.694 2.901 3.753 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.198 3.717 4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.941 5.676 2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.955 6.250 1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.414 6.538 3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.490 4.205 5.805 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.946 5.684 4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.581 4.854 4.541 1.00 0.00 H new ATOM 587 N TYR A 43 -0.955 5.865 -0.095 1.00 0.00 N ATOM 588 CA TYR A 43 -1.014 6.080 -1.534 1.00 0.00 C ATOM 589 C TYR A 43 -0.335 7.377 -1.944 1.00 0.00 C ATOM 590 O TYR A 43 -0.098 8.264 -1.118 1.00 0.00 O ATOM 591 CB TYR A 43 -2.465 6.066 -2.024 1.00 0.00 C ATOM 592 CG TYR A 43 -3.417 6.856 -1.160 1.00 0.00 C ATOM 593 CD1 TYR A 43 -3.141 8.169 -0.817 1.00 0.00 C ATOM 594 CD2 TYR A 43 -4.594 6.288 -0.694 1.00 0.00 C ATOM 595 CE1 TYR A 43 -4.010 8.900 -0.031 1.00 0.00 C ATOM 596 CE2 TYR A 43 -5.471 7.011 0.093 1.00 0.00 C ATOM 597 CZ TYR A 43 -5.174 8.317 0.422 1.00 0.00 C ATOM 598 OH TYR A 43 -6.044 9.040 1.205 1.00 0.00 O ATOM 0 H TYR A 43 -1.488 6.534 0.461 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.472 5.259 -2.004 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.498 6.463 -3.039 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.810 5.033 -2.075 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.230 8.629 -1.170 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.829 5.265 -0.950 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.779 9.923 0.227 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -6.384 6.556 0.448 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.380 8.473 1.930 1.00 0.00 H new ATOM 608 N ASP A 44 -0.021 7.467 -3.232 1.00 0.00 N ATOM 609 CA ASP A 44 0.627 8.641 -3.798 1.00 0.00 C ATOM 610 C ASP A 44 -0.337 9.354 -4.739 1.00 0.00 C ATOM 611 O ASP A 44 -1.523 9.027 -4.783 1.00 0.00 O ATOM 612 CB ASP A 44 1.891 8.237 -4.561 1.00 0.00 C ATOM 613 CG ASP A 44 3.132 8.934 -4.037 1.00 0.00 C ATOM 614 OD1 ASP A 44 2.995 10.028 -3.450 1.00 0.00 O ATOM 615 OD2 ASP A 44 4.241 8.387 -4.213 1.00 0.00 O ATOM 0 H ASP A 44 -0.209 6.729 -3.910 1.00 0.00 H new ATOM 0 HA ASP A 44 0.908 9.313 -2.987 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.026 7.158 -4.489 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.765 8.472 -5.618 1.00 0.00 H new ATOM 620 N ARG A 45 0.172 10.315 -5.501 1.00 0.00 N ATOM 621 CA ARG A 45 -0.664 11.047 -6.448 1.00 0.00 C ATOM 622 C ARG A 45 -1.427 10.071 -7.339 1.00 0.00 C ATOM 623 O ARG A 45 -2.594 10.291 -7.664 1.00 0.00 O ATOM 624 CB ARG A 45 0.185 11.990 -7.306 1.00 0.00 C ATOM 625 CG ARG A 45 1.538 11.415 -7.690 1.00 0.00 C ATOM 626 CD ARG A 45 2.647 11.948 -6.793 1.00 0.00 C ATOM 627 NE ARG A 45 3.236 13.177 -7.321 1.00 0.00 N ATOM 628 CZ ARG A 45 2.919 14.401 -6.899 1.00 0.00 C ATOM 629 NH1 ARG A 45 2.017 14.575 -5.941 1.00 0.00 N ATOM 630 NH2 ARG A 45 3.508 15.459 -7.442 1.00 0.00 N ATOM 0 H ARG A 45 1.150 10.604 -5.483 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.379 11.646 -5.883 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.366 12.236 -8.214 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.337 12.923 -6.763 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.505 10.328 -7.622 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.758 11.663 -8.728 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.248 12.136 -5.796 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.423 11.190 -6.687 1.00 0.00 H new ATOM 0 HE ARG A 45 3.934 13.093 -8.060 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.558 13.767 -5.520 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.783 15.516 -5.626 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.201 15.334 -8.180 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.268 16.397 -7.121 1.00 0.00 H new ATOM 644 N PHE A 46 -0.763 8.979 -7.714 1.00 0.00 N ATOM 645 CA PHE A 46 -1.382 7.960 -8.548 1.00 0.00 C ATOM 646 C PHE A 46 -2.257 7.048 -7.696 1.00 0.00 C ATOM 647 O PHE A 46 -3.391 6.740 -8.063 1.00 0.00 O ATOM 648 CB PHE A 46 -0.315 7.140 -9.279 1.00 0.00 C ATOM 649 CG PHE A 46 -0.282 7.388 -10.761 1.00 0.00 C ATOM 650 CD1 PHE A 46 0.346 8.512 -11.273 1.00 0.00 C ATOM 651 CD2 PHE A 46 -0.878 6.498 -11.640 1.00 0.00 C ATOM 652 CE1 PHE A 46 0.378 8.745 -12.635 1.00 0.00 C ATOM 653 CE2 PHE A 46 -0.848 6.725 -13.003 1.00 0.00 C ATOM 654 CZ PHE A 46 -0.218 7.850 -13.501 1.00 0.00 C ATOM 0 H PHE A 46 0.203 8.781 -7.452 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.006 8.453 -9.293 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.663 7.372 -8.858 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.496 6.080 -9.100 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.816 9.214 -10.600 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.371 5.617 -11.256 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.869 9.626 -13.021 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.316 6.024 -13.678 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.192 8.029 -14.566 1.00 0.00 H new ATOM 664 N GLY A 47 -1.729 6.632 -6.543 1.00 0.00 N ATOM 665 CA GLY A 47 -2.487 5.773 -5.649 1.00 0.00 C ATOM 666 C GLY A 47 -3.877 6.318 -5.394 1.00 0.00 C ATOM 667 O GLY A 47 -4.864 5.585 -5.456 1.00 0.00 O ATOM 0 H GLY A 47 -0.794 6.874 -6.215 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.561 4.774 -6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.956 5.674 -4.702 1.00 0.00 H new ATOM 671 N GLN A 48 -3.950 7.619 -5.132 1.00 0.00 N ATOM 672 CA GLN A 48 -5.227 8.281 -4.896 1.00 0.00 C ATOM 673 C GLN A 48 -5.985 8.417 -6.211 1.00 0.00 C ATOM 674 O GLN A 48 -7.216 8.442 -6.237 1.00 0.00 O ATOM 675 CB GLN A 48 -5.011 9.658 -4.263 1.00 0.00 C ATOM 676 CG GLN A 48 -4.082 10.563 -5.059 1.00 0.00 C ATOM 677 CD GLN A 48 -3.300 11.515 -4.175 1.00 0.00 C ATOM 678 OE1 GLN A 48 -2.912 11.168 -3.060 1.00 0.00 O ATOM 679 NE2 GLN A 48 -3.066 12.725 -4.671 1.00 0.00 N ATOM 0 H GLN A 48 -3.139 8.236 -5.078 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.815 7.677 -4.205 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.976 10.152 -4.152 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.603 9.527 -3.261 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.386 9.950 -5.632 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.667 11.137 -5.777 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.407 12.970 -5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.546 13.409 -4.122 1.00 0.00 H new ATOM 688 N ASP A 49 -5.229 8.486 -7.305 1.00 0.00 N ATOM 689 CA ASP A 49 -5.801 8.600 -8.641 1.00 0.00 C ATOM 690 C ASP A 49 -6.549 7.327 -9.030 1.00 0.00 C ATOM 691 O ASP A 49 -7.247 7.294 -10.043 1.00 0.00 O ATOM 692 CB ASP A 49 -4.690 8.861 -9.661 1.00 0.00 C ATOM 693 CG ASP A 49 -5.214 9.459 -10.951 1.00 0.00 C ATOM 694 OD1 ASP A 49 -6.424 9.312 -11.225 1.00 0.00 O ATOM 695 OD2 ASP A 49 -4.416 10.076 -11.687 1.00 0.00 O ATOM 0 H ASP A 49 -4.209 8.464 -7.289 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.506 9.432 -8.636 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.952 9.535 -9.225 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.176 7.925 -9.881 1.00 0.00 H new ATOM 700 N ILE A 50 -6.375 6.272 -8.240 1.00 0.00 N ATOM 701 CA ILE A 50 -7.008 4.994 -8.525 1.00 0.00 C ATOM 702 C ILE A 50 -7.889 4.521 -7.374 1.00 0.00 C ATOM 703 O ILE A 50 -8.970 3.976 -7.590 1.00 0.00 O ATOM 704 CB ILE A 50 -5.934 3.932 -8.805 1.00 0.00 C ATOM 705 CG1 ILE A 50 -5.028 4.402 -9.943 1.00 0.00 C ATOM 706 CG2 ILE A 50 -6.563 2.586 -9.129 1.00 0.00 C ATOM 707 CD1 ILE A 50 -3.559 4.228 -9.648 1.00 0.00 C ATOM 0 H ILE A 50 -5.800 6.279 -7.398 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.642 5.134 -9.401 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.331 3.800 -7.906 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.277 3.849 -10.849 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.228 5.454 -10.147 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.778 1.855 -9.323 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.168 2.254 -8.285 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.195 2.683 -10.012 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.973 4.581 -10.497 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.295 4.803 -8.761 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.345 3.173 -9.473 1.00 0.00 H new ATOM 719 N ILE A 51 -7.415 4.720 -6.153 1.00 0.00 N ATOM 720 CA ILE A 51 -8.160 4.298 -4.977 1.00 0.00 C ATOM 721 C ILE A 51 -9.509 5.014 -4.890 1.00 0.00 C ATOM 722 O ILE A 51 -10.538 4.385 -4.663 1.00 0.00 O ATOM 723 CB ILE A 51 -7.335 4.518 -3.677 1.00 0.00 C ATOM 724 CG1 ILE A 51 -7.362 3.255 -2.812 1.00 0.00 C ATOM 725 CG2 ILE A 51 -7.835 5.719 -2.879 1.00 0.00 C ATOM 726 CD1 ILE A 51 -6.011 2.890 -2.231 1.00 0.00 C ATOM 0 H ILE A 51 -6.522 5.169 -5.951 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.351 3.230 -5.077 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.307 4.729 -3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.072 3.397 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.728 2.421 -3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.230 5.835 -1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.756 6.619 -3.488 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.876 5.561 -2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.106 1.986 -1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.302 2.715 -3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.652 3.706 -1.604 1.00 0.00 H new ATOM 738 N SER A 52 -9.497 6.328 -5.068 1.00 0.00 N ATOM 739 CA SER A 52 -10.721 7.120 -4.999 1.00 0.00 C ATOM 740 C SER A 52 -11.746 6.694 -6.057 1.00 0.00 C ATOM 741 O SER A 52 -12.873 6.335 -5.722 1.00 0.00 O ATOM 742 CB SER A 52 -10.398 8.608 -5.157 1.00 0.00 C ATOM 743 OG SER A 52 -11.564 9.357 -5.446 1.00 0.00 O ATOM 0 H SER A 52 -8.654 6.869 -5.261 1.00 0.00 H new ATOM 0 HA SER A 52 -11.165 6.943 -4.019 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.940 8.983 -4.242 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.669 8.742 -5.956 1.00 0.00 H new ATOM 0 HG SER A 52 -11.330 10.304 -5.540 1.00 0.00 H new ATOM 749 N PRO A 53 -11.382 6.741 -7.352 1.00 0.00 N ATOM 750 CA PRO A 53 -12.294 6.372 -8.440 1.00 0.00 C ATOM 751 C PRO A 53 -13.011 5.046 -8.193 1.00 0.00 C ATOM 752 O PRO A 53 -14.084 4.803 -8.743 1.00 0.00 O ATOM 753 CB PRO A 53 -11.386 6.270 -9.678 1.00 0.00 C ATOM 754 CG PRO A 53 -9.985 6.458 -9.187 1.00 0.00 C ATOM 755 CD PRO A 53 -10.077 7.171 -7.867 1.00 0.00 C ATOM 0 HA PRO A 53 -13.092 7.106 -8.546 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.501 5.302 -10.166 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.645 7.031 -10.414 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.484 5.497 -9.073 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.401 7.039 -9.900 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.265 6.887 -7.197 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -10.027 8.253 -7.988 1.00 0.00 H new ATOM 763 N LEU A 54 -12.420 4.190 -7.364 1.00 0.00 N ATOM 764 CA LEU A 54 -13.019 2.895 -7.056 1.00 0.00 C ATOM 765 C LEU A 54 -13.158 2.689 -5.549 1.00 0.00 C ATOM 766 O LEU A 54 -13.375 1.568 -5.087 1.00 0.00 O ATOM 767 CB LEU A 54 -12.175 1.767 -7.649 1.00 0.00 C ATOM 768 CG LEU A 54 -11.854 1.910 -9.138 1.00 0.00 C ATOM 769 CD1 LEU A 54 -10.383 1.623 -9.400 1.00 0.00 C ATOM 770 CD2 LEU A 54 -12.734 0.983 -9.962 1.00 0.00 C ATOM 0 H LEU A 54 -11.532 4.368 -6.896 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.015 2.879 -7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.238 1.706 -7.096 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -12.698 0.823 -7.495 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.060 2.938 -9.437 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.175 1.730 -10.465 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.769 2.327 -8.838 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.149 0.606 -9.085 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.493 1.097 -11.019 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.559 -0.049 -9.659 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.782 1.236 -9.799 1.00 0.00 H new ATOM 782 N LEU A 55 -13.015 3.766 -4.784 1.00 0.00 N ATOM 783 CA LEU A 55 -13.106 3.686 -3.335 1.00 0.00 C ATOM 784 C LEU A 55 -13.336 5.062 -2.715 1.00 0.00 C ATOM 785 O LEU A 55 -13.072 6.088 -3.340 1.00 0.00 O ATOM 786 CB LEU A 55 -11.827 3.069 -2.790 1.00 0.00 C ATOM 787 CG LEU A 55 -12.034 2.007 -1.729 1.00 0.00 C ATOM 788 CD1 LEU A 55 -10.849 1.059 -1.706 1.00 0.00 C ATOM 789 CD2 LEU A 55 -12.241 2.665 -0.381 1.00 0.00 C ATOM 0 H LEU A 55 -12.836 4.703 -5.145 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.960 3.061 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.270 2.631 -3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.207 3.862 -2.373 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.925 1.424 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.006 0.299 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.748 0.579 -2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.940 1.618 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.390 1.898 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.364 3.261 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.119 3.310 -0.422 1.00 0.00 H new ATOM 801 N SER A 56 -13.827 5.079 -1.480 1.00 0.00 N ATOM 802 CA SER A 56 -14.087 6.333 -0.779 1.00 0.00 C ATOM 803 C SER A 56 -13.480 6.316 0.622 1.00 0.00 C ATOM 804 O SER A 56 -12.941 5.301 1.063 1.00 0.00 O ATOM 805 CB SER A 56 -15.592 6.603 -0.702 1.00 0.00 C ATOM 806 OG SER A 56 -16.308 5.764 -1.591 1.00 0.00 O ATOM 0 H SER A 56 -14.053 4.241 -0.944 1.00 0.00 H new ATOM 0 HA SER A 56 -13.615 7.137 -1.344 1.00 0.00 H new ATOM 0 HB2 SER A 56 -15.942 6.440 0.317 1.00 0.00 H new ATOM 0 HB3 SER A 56 -15.790 7.647 -0.944 1.00 0.00 H new ATOM 0 HG SER A 56 -17.265 5.967 -1.533 1.00 0.00 H new ATOM 812 N VAL A 57 -13.574 7.449 1.312 1.00 0.00 N ATOM 813 CA VAL A 57 -13.033 7.578 2.663 1.00 0.00 C ATOM 814 C VAL A 57 -13.804 6.719 3.655 1.00 0.00 C ATOM 815 O VAL A 57 -13.217 5.989 4.452 1.00 0.00 O ATOM 816 CB VAL A 57 -13.073 9.039 3.150 1.00 0.00 C ATOM 817 CG1 VAL A 57 -12.087 9.252 4.287 1.00 0.00 C ATOM 818 CG2 VAL A 57 -12.795 10.000 2.005 1.00 0.00 C ATOM 0 H VAL A 57 -14.021 8.294 0.957 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.998 7.239 2.613 1.00 0.00 H new ATOM 0 HB VAL A 57 -14.075 9.245 3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.131 10.290 4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -12.344 8.596 5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.079 9.023 3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.829 11.025 2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.808 9.796 1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.549 9.869 1.229 1.00 0.00 H new ATOM 828 N LYS A 58 -15.124 6.822 3.611 1.00 0.00 N ATOM 829 CA LYS A 58 -15.976 6.061 4.519 1.00 0.00 C ATOM 830 C LYS A 58 -15.871 4.565 4.247 1.00 0.00 C ATOM 831 O LYS A 58 -15.930 3.755 5.171 1.00 0.00 O ATOM 832 CB LYS A 58 -17.431 6.519 4.401 1.00 0.00 C ATOM 833 CG LYS A 58 -17.631 7.993 4.718 1.00 0.00 C ATOM 834 CD LYS A 58 -18.833 8.213 5.623 1.00 0.00 C ATOM 835 CE LYS A 58 -19.595 9.472 5.241 1.00 0.00 C ATOM 836 NZ LYS A 58 -19.211 10.634 6.089 1.00 0.00 N ATOM 0 H LYS A 58 -15.629 7.422 2.959 1.00 0.00 H new ATOM 0 HA LYS A 58 -15.630 6.247 5.536 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -17.785 6.322 3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.047 5.924 5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -16.736 8.387 5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -17.766 8.550 3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -19.498 7.351 5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -18.501 8.287 6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -19.404 9.708 4.194 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -20.666 9.291 5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.753 11.472 5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -19.417 10.420 7.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.194 10.824 5.978 1.00 0.00 H new ATOM 850 N GLU A 59 -15.695 4.198 2.981 1.00 0.00 N ATOM 851 CA GLU A 59 -15.560 2.787 2.624 1.00 0.00 C ATOM 852 C GLU A 59 -14.197 2.281 3.076 1.00 0.00 C ATOM 853 O GLU A 59 -14.037 1.108 3.416 1.00 0.00 O ATOM 854 CB GLU A 59 -15.748 2.539 1.117 1.00 0.00 C ATOM 855 CG GLU A 59 -16.041 3.784 0.294 1.00 0.00 C ATOM 856 CD GLU A 59 -17.400 4.382 0.602 1.00 0.00 C ATOM 857 OE1 GLU A 59 -18.396 3.941 -0.010 1.00 0.00 O ATOM 858 OE2 GLU A 59 -17.469 5.292 1.454 1.00 0.00 O ATOM 0 H GLU A 59 -15.643 4.846 2.195 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.352 2.238 3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.847 2.067 0.726 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.564 1.830 0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.269 4.530 0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.990 3.534 -0.766 1.00 0.00 H new ATOM 865 N LEU A 60 -13.220 3.185 3.097 1.00 0.00 N ATOM 866 CA LEU A 60 -11.875 2.844 3.532 1.00 0.00 C ATOM 867 C LEU A 60 -11.903 2.351 4.971 1.00 0.00 C ATOM 868 O LEU A 60 -11.421 1.262 5.278 1.00 0.00 O ATOM 869 CB LEU A 60 -10.953 4.061 3.420 1.00 0.00 C ATOM 870 CG LEU A 60 -10.369 4.302 2.030 1.00 0.00 C ATOM 871 CD1 LEU A 60 -10.126 5.785 1.797 1.00 0.00 C ATOM 872 CD2 LEU A 60 -9.083 3.512 1.855 1.00 0.00 C ATOM 0 H LEU A 60 -13.339 4.159 2.817 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.492 2.052 2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.509 4.948 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.132 3.942 4.127 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.090 3.958 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.710 5.933 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.069 6.326 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.425 6.160 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.677 3.693 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.358 3.827 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.290 2.449 1.974 1.00 0.00 H new ATOM 884 N ARG A 61 -12.482 3.162 5.849 1.00 0.00 N ATOM 885 CA ARG A 61 -12.582 2.811 7.259 1.00 0.00 C ATOM 886 C ARG A 61 -13.602 1.697 7.478 1.00 0.00 C ATOM 887 O ARG A 61 -13.521 0.952 8.456 1.00 0.00 O ATOM 888 CB ARG A 61 -12.967 4.041 8.083 1.00 0.00 C ATOM 889 CG ARG A 61 -11.943 5.163 8.011 1.00 0.00 C ATOM 890 CD ARG A 61 -11.286 5.404 9.361 1.00 0.00 C ATOM 891 NE ARG A 61 -12.100 6.263 10.218 1.00 0.00 N ATOM 892 CZ ARG A 61 -11.991 7.590 10.265 1.00 0.00 C ATOM 893 NH1 ARG A 61 -11.118 8.222 9.491 1.00 0.00 N ATOM 894 NH2 ARG A 61 -12.765 8.287 11.085 1.00 0.00 N ATOM 0 H ARG A 61 -12.889 4.066 5.609 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.607 2.450 7.586 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.930 4.415 7.735 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.098 3.745 9.124 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.180 4.914 7.273 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.428 6.079 7.672 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.118 4.449 9.859 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.308 5.862 9.212 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.795 5.819 10.818 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.524 7.692 8.854 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.041 9.238 9.533 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.442 7.807 11.678 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.683 9.303 11.123 1.00 0.00 H new ATOM 908 N ASP A 62 -14.562 1.588 6.565 1.00 0.00 N ATOM 909 CA ASP A 62 -15.597 0.564 6.663 1.00 0.00 C ATOM 910 C ASP A 62 -15.081 -0.792 6.189 1.00 0.00 C ATOM 911 O ASP A 62 -15.629 -1.834 6.550 1.00 0.00 O ATOM 912 CB ASP A 62 -16.822 0.970 5.843 1.00 0.00 C ATOM 913 CG ASP A 62 -17.832 1.753 6.658 1.00 0.00 C ATOM 914 OD1 ASP A 62 -18.423 1.170 7.591 1.00 0.00 O ATOM 915 OD2 ASP A 62 -18.032 2.951 6.364 1.00 0.00 O ATOM 0 H ASP A 62 -14.645 2.195 5.750 1.00 0.00 H new ATOM 0 HA ASP A 62 -15.879 0.474 7.712 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.502 1.571 4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -17.299 0.076 5.441 1.00 0.00 H new ATOM 920 N MET A 63 -14.026 -0.778 5.378 1.00 0.00 N ATOM 921 CA MET A 63 -13.446 -2.012 4.861 1.00 0.00 C ATOM 922 C MET A 63 -12.490 -2.636 5.870 1.00 0.00 C ATOM 923 O MET A 63 -12.185 -3.826 5.796 1.00 0.00 O ATOM 924 CB MET A 63 -12.693 -1.735 3.564 1.00 0.00 C ATOM 925 CG MET A 63 -13.569 -1.752 2.322 1.00 0.00 C ATOM 926 SD MET A 63 -12.637 -1.405 0.816 1.00 0.00 S ATOM 927 CE MET A 63 -11.430 -0.233 1.431 1.00 0.00 C ATOM 0 H MET A 63 -13.557 0.072 5.066 1.00 0.00 H new ATOM 0 HA MET A 63 -14.262 -2.710 4.673 1.00 0.00 H new ATOM 0 HB2 MET A 63 -12.207 -0.762 3.639 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.904 -2.478 3.449 1.00 0.00 H new ATOM 0 HG2 MET A 63 -14.048 -2.727 2.233 1.00 0.00 H new ATOM 0 HG3 MET A 63 -14.364 -1.015 2.432 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.894 0.211 0.592 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.938 0.551 1.993 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.723 -0.747 2.082 1.00 0.00 H new ATOM 937 N GLY A 64 -12.015 -1.828 6.813 1.00 0.00 N ATOM 938 CA GLY A 64 -11.096 -2.327 7.816 1.00 0.00 C ATOM 939 C GLY A 64 -9.764 -1.604 7.802 1.00 0.00 C ATOM 940 O GLY A 64 -8.726 -2.200 8.090 1.00 0.00 O ATOM 0 H GLY A 64 -12.250 -0.839 6.899 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.550 -2.224 8.802 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.928 -3.391 7.652 1.00 0.00 H new ATOM 944 N ILE A 65 -9.788 -0.317 7.469 1.00 0.00 N ATOM 945 CA ILE A 65 -8.570 0.479 7.424 1.00 0.00 C ATOM 946 C ILE A 65 -8.390 1.277 8.715 1.00 0.00 C ATOM 947 O ILE A 65 -9.288 2.002 9.143 1.00 0.00 O ATOM 948 CB ILE A 65 -8.574 1.427 6.201 1.00 0.00 C ATOM 949 CG1 ILE A 65 -7.228 1.383 5.490 1.00 0.00 C ATOM 950 CG2 ILE A 65 -8.913 2.860 6.597 1.00 0.00 C ATOM 951 CD1 ILE A 65 -7.206 2.209 4.227 1.00 0.00 C ATOM 0 H ILE A 65 -10.637 0.194 7.227 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.729 -0.207 7.325 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.350 1.079 5.520 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.453 1.742 6.167 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.985 0.349 5.247 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.905 3.494 5.710 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.902 2.887 7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.174 3.225 7.310 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.222 2.139 3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.960 1.835 3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.420 3.250 4.469 1.00 0.00 H new ATOM 963 N THR A 66 -7.225 1.132 9.329 1.00 0.00 N ATOM 964 CA THR A 66 -6.926 1.832 10.574 1.00 0.00 C ATOM 965 C THR A 66 -6.377 3.234 10.311 1.00 0.00 C ATOM 966 O THR A 66 -6.380 4.084 11.201 1.00 0.00 O ATOM 967 CB THR A 66 -5.926 1.034 11.415 1.00 0.00 C ATOM 968 OG1 THR A 66 -5.285 1.869 12.364 1.00 0.00 O ATOM 969 CG2 THR A 66 -4.847 0.364 10.595 1.00 0.00 C ATOM 0 H THR A 66 -6.470 0.537 8.987 1.00 0.00 H new ATOM 0 HA THR A 66 -7.861 1.929 11.125 1.00 0.00 H new ATOM 0 HB THR A 66 -6.520 0.262 11.904 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.652 1.339 12.891 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.175 -0.183 11.256 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.304 -0.329 9.888 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.283 1.120 10.049 1.00 0.00 H new ATOM 977 N LEU A 67 -5.893 3.476 9.090 1.00 0.00 N ATOM 978 CA LEU A 67 -5.334 4.780 8.745 1.00 0.00 C ATOM 979 C LEU A 67 -4.904 4.831 7.281 1.00 0.00 C ATOM 980 O LEU A 67 -4.339 3.874 6.752 1.00 0.00 O ATOM 981 CB LEU A 67 -4.145 5.095 9.665 1.00 0.00 C ATOM 982 CG LEU A 67 -3.254 6.277 9.251 1.00 0.00 C ATOM 983 CD1 LEU A 67 -2.300 5.876 8.133 1.00 0.00 C ATOM 984 CD2 LEU A 67 -4.099 7.475 8.839 1.00 0.00 C ATOM 0 H LEU A 67 -5.878 2.793 8.333 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.109 5.534 8.887 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.530 5.292 10.666 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.521 4.204 9.733 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.656 6.566 10.115 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.681 6.730 7.859 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.662 5.060 8.474 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.873 5.550 7.265 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.446 8.299 8.550 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.732 7.201 7.995 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.725 7.784 9.676 1.00 0.00 H new ATOM 996 N HIS A 68 -5.168 5.965 6.642 1.00 0.00 N ATOM 997 CA HIS A 68 -4.807 6.168 5.242 1.00 0.00 C ATOM 998 C HIS A 68 -4.272 7.583 5.036 1.00 0.00 C ATOM 999 O HIS A 68 -4.895 8.552 5.469 1.00 0.00 O ATOM 1000 CB HIS A 68 -6.021 5.934 4.342 1.00 0.00 C ATOM 1001 CG HIS A 68 -7.131 6.914 4.563 1.00 0.00 C ATOM 1002 ND1 HIS A 68 -7.496 7.864 3.631 1.00 0.00 N ATOM 1003 CD2 HIS A 68 -7.960 7.089 5.620 1.00 0.00 C ATOM 1004 CE1 HIS A 68 -8.500 8.580 4.104 1.00 0.00 C ATOM 1005 NE2 HIS A 68 -8.801 8.129 5.309 1.00 0.00 N ATOM 0 H HIS A 68 -5.634 6.763 7.074 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.029 5.453 4.977 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.705 5.985 3.300 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.399 4.926 4.511 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.960 6.517 6.536 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -8.991 9.395 3.593 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -9.539 8.494 5.911 1.00 0.00 H new ATOM 1014 N LEU A 69 -3.118 7.709 4.381 1.00 0.00 N ATOM 1015 CA LEU A 69 -2.540 9.027 4.148 1.00 0.00 C ATOM 1016 C LEU A 69 -1.497 9.022 3.026 1.00 0.00 C ATOM 1017 O LEU A 69 -1.048 7.968 2.566 1.00 0.00 O ATOM 1018 CB LEU A 69 -1.941 9.577 5.454 1.00 0.00 C ATOM 1019 CG LEU A 69 -0.516 9.123 5.802 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -0.337 7.631 5.561 1.00 0.00 C ATOM 1021 CD2 LEU A 69 0.503 9.924 5.008 1.00 0.00 C ATOM 0 H LEU A 69 -2.576 6.929 4.010 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.345 9.684 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.948 10.666 5.400 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.599 9.294 6.276 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.352 9.308 6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.682 7.341 5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.039 7.075 6.182 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.525 7.407 4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.508 9.591 5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.333 9.774 3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.399 10.983 5.246 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.138 10.230 2.586 1.00 0.00 N ATOM 1034 CA LEU A 70 -0.167 10.430 1.517 1.00 0.00 C ATOM 1035 C LEU A 70 1.264 10.303 2.021 1.00 0.00 C ATOM 1036 O LEU A 70 1.646 10.949 2.995 1.00 0.00 O ATOM 1037 CB LEU A 70 -0.344 11.828 0.931 1.00 0.00 C ATOM 1038 CG LEU A 70 -1.019 11.891 -0.429 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -0.922 13.302 -0.988 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -0.393 10.889 -1.390 1.00 0.00 C ATOM 0 H LEU A 70 -1.516 11.098 2.965 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.342 9.661 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.926 12.425 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.637 12.296 0.851 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.071 11.630 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.408 13.341 -1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.415 13.997 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.127 13.580 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.892 10.952 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.666 11.115 -1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.505 9.882 -0.989 1.00 0.00 H new ATOM 1052 N LEU A 71 2.071 9.512 1.328 1.00 0.00 N ATOM 1053 CA LEU A 71 3.475 9.364 1.715 1.00 0.00 C ATOM 1054 C LEU A 71 4.144 10.730 1.793 1.00 0.00 C ATOM 1055 O LEU A 71 5.117 10.925 2.522 1.00 0.00 O ATOM 1056 CB LEU A 71 4.237 8.499 0.724 1.00 0.00 C ATOM 1057 CG LEU A 71 3.436 7.377 0.088 1.00 0.00 C ATOM 1058 CD1 LEU A 71 2.974 7.775 -1.297 1.00 0.00 C ATOM 1059 CD2 LEU A 71 4.262 6.103 0.048 1.00 0.00 C ATOM 0 H LEU A 71 1.790 8.971 0.510 1.00 0.00 H new ATOM 0 HA LEU A 71 3.496 8.880 2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.625 9.140 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.097 8.065 1.233 1.00 0.00 H new ATOM 0 HG LEU A 71 2.549 7.188 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.401 6.959 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.347 8.664 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.841 7.989 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.678 5.305 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.165 6.273 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.536 5.815 1.063 1.00 0.00 H new ATOM 1071 N HIS A 72 3.608 11.673 1.026 1.00 0.00 N ATOM 1072 CA HIS A 72 4.129 13.030 0.980 1.00 0.00 C ATOM 1073 C HIS A 72 3.492 13.895 2.059 1.00 0.00 C ATOM 1074 O HIS A 72 3.180 15.064 1.828 1.00 0.00 O ATOM 1075 CB HIS A 72 3.855 13.637 -0.391 1.00 0.00 C ATOM 1076 CG HIS A 72 4.801 14.736 -0.764 1.00 0.00 C ATOM 1077 ND1 HIS A 72 4.606 15.562 -1.851 1.00 0.00 N ATOM 1078 CD2 HIS A 72 5.957 15.145 -0.187 1.00 0.00 C ATOM 1079 CE1 HIS A 72 5.600 16.431 -1.927 1.00 0.00 C ATOM 1080 NE2 HIS A 72 6.431 16.198 -0.929 1.00 0.00 N ATOM 0 H HIS A 72 2.802 11.517 0.421 1.00 0.00 H new ATOM 0 HA HIS A 72 5.204 12.993 1.159 1.00 0.00 H new ATOM 0 HB2 HIS A 72 3.911 12.851 -1.144 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.836 14.025 -0.410 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.419 14.721 0.693 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.712 17.200 -2.677 1.00 0.00 H new ATOM 0 HE2 HIS A 72 7.288 16.717 -0.739 1.00 0.00 H new ATOM 1089 N SER A 73 3.300 13.317 3.234 1.00 0.00 N ATOM 1090 CA SER A 73 2.698 14.045 4.344 1.00 0.00 C ATOM 1091 C SER A 73 3.139 13.460 5.681 1.00 0.00 C ATOM 1092 O SER A 73 3.828 12.440 5.727 1.00 0.00 O ATOM 1093 CB SER A 73 1.173 14.017 4.235 1.00 0.00 C ATOM 1094 OG SER A 73 0.653 12.762 4.637 1.00 0.00 O ATOM 0 H SER A 73 3.550 12.351 3.445 1.00 0.00 H new ATOM 0 HA SER A 73 3.037 15.080 4.293 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.747 14.806 4.855 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.875 14.224 3.207 1.00 0.00 H new ATOM 0 HG SER A 73 0.725 12.125 3.895 1.00 0.00 H new ATOM 1100 N ASP A 74 2.737 14.110 6.767 1.00 0.00 N ATOM 1101 CA ASP A 74 3.091 13.652 8.105 1.00 0.00 C ATOM 1102 C ASP A 74 2.389 12.340 8.435 1.00 0.00 C ATOM 1103 O ASP A 74 1.168 12.299 8.594 1.00 0.00 O ATOM 1104 CB ASP A 74 2.726 14.716 9.143 1.00 0.00 C ATOM 1105 CG ASP A 74 3.764 15.817 9.233 1.00 0.00 C ATOM 1106 OD1 ASP A 74 4.911 15.587 8.795 1.00 0.00 O ATOM 1107 OD2 ASP A 74 3.430 16.908 9.742 1.00 0.00 O ATOM 0 H ASP A 74 2.166 14.955 6.747 1.00 0.00 H new ATOM 0 HA ASP A 74 4.167 13.482 8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.760 15.152 8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.616 14.244 10.119 1.00 0.00 H new ATOM 1112 N ARG A 75 3.167 11.268 8.537 1.00 0.00 N ATOM 1113 CA ARG A 75 2.619 9.952 8.848 1.00 0.00 C ATOM 1114 C ARG A 75 2.562 9.729 10.356 1.00 0.00 C ATOM 1115 O ARG A 75 3.278 10.377 11.118 1.00 0.00 O ATOM 1116 CB ARG A 75 3.459 8.854 8.189 1.00 0.00 C ATOM 1117 CG ARG A 75 2.778 8.199 7.003 1.00 0.00 C ATOM 1118 CD ARG A 75 3.761 7.387 6.177 1.00 0.00 C ATOM 1119 NE ARG A 75 4.391 8.196 5.137 1.00 0.00 N ATOM 1120 CZ ARG A 75 5.692 8.163 4.847 1.00 0.00 C ATOM 1121 NH1 ARG A 75 6.509 7.343 5.496 1.00 0.00 N ATOM 1122 NH2 ARG A 75 6.178 8.950 3.898 1.00 0.00 N ATOM 0 H ARG A 75 4.179 11.284 8.409 1.00 0.00 H new ATOM 0 HA ARG A 75 1.604 9.908 8.453 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.408 9.280 7.863 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.691 8.090 8.932 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.975 7.552 7.355 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.320 8.964 6.377 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.529 6.972 6.830 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.243 6.545 5.719 1.00 0.00 H new ATOM 0 HE ARG A 75 3.798 8.827 4.598 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.143 6.730 6.225 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.503 7.326 5.266 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.557 9.580 3.390 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.173 8.926 3.675 1.00 0.00 H new ATOM 1136 N ASP A 76 1.708 8.802 10.776 1.00 0.00 N ATOM 1137 CA ASP A 76 1.559 8.485 12.190 1.00 0.00 C ATOM 1138 C ASP A 76 2.130 7.100 12.492 1.00 0.00 C ATOM 1139 O ASP A 76 1.692 6.109 11.914 1.00 0.00 O ATOM 1140 CB ASP A 76 0.084 8.534 12.592 1.00 0.00 C ATOM 1141 CG ASP A 76 -0.133 9.246 13.913 1.00 0.00 C ATOM 1142 OD1 ASP A 76 0.117 8.628 14.969 1.00 0.00 O ATOM 1143 OD2 ASP A 76 -0.551 10.423 13.891 1.00 0.00 O ATOM 0 H ASP A 76 1.108 8.257 10.156 1.00 0.00 H new ATOM 0 HA ASP A 76 2.111 9.227 12.767 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.485 9.040 11.812 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.304 7.518 12.662 1.00 0.00 H new ATOM 1148 N PRO A 77 3.120 7.004 13.397 1.00 0.00 N ATOM 1149 CA PRO A 77 3.735 5.723 13.753 1.00 0.00 C ATOM 1150 C PRO A 77 2.799 4.842 14.575 1.00 0.00 C ATOM 1151 O PRO A 77 2.515 5.137 15.735 1.00 0.00 O ATOM 1152 CB PRO A 77 4.963 6.118 14.592 1.00 0.00 C ATOM 1153 CG PRO A 77 5.097 7.599 14.448 1.00 0.00 C ATOM 1154 CD PRO A 77 3.724 8.118 14.137 1.00 0.00 C ATOM 0 HA PRO A 77 3.983 5.139 12.867 1.00 0.00 H new ATOM 0 HB2 PRO A 77 4.829 5.838 15.637 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.859 5.608 14.237 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.483 8.045 15.364 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.797 7.850 13.651 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.165 8.353 15.043 1.00 0.00 H new ATOM 0 HD3 PRO A 77 3.761 9.029 13.539 1.00 0.00 H new ATOM 1162 N ILE A 78 2.325 3.754 13.971 1.00 0.00 N ATOM 1163 CA ILE A 78 1.426 2.831 14.666 1.00 0.00 C ATOM 1164 C ILE A 78 2.197 1.982 15.671 1.00 0.00 C ATOM 1165 O ILE A 78 3.420 2.073 15.763 1.00 0.00 O ATOM 1166 CB ILE A 78 0.661 1.895 13.697 1.00 0.00 C ATOM 1167 CG1 ILE A 78 0.562 2.495 12.294 1.00 0.00 C ATOM 1168 CG2 ILE A 78 -0.730 1.604 14.240 1.00 0.00 C ATOM 1169 CD1 ILE A 78 0.045 3.914 12.267 1.00 0.00 C ATOM 0 H ILE A 78 2.545 3.490 13.011 1.00 0.00 H new ATOM 0 HA ILE A 78 0.694 3.452 15.182 1.00 0.00 H new ATOM 0 HB ILE A 78 1.222 0.964 13.622 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.547 2.469 11.829 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.093 1.869 11.688 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.259 0.945 13.551 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.647 1.120 15.213 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.282 2.538 14.345 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.004 4.267 11.237 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.954 3.945 12.701 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.711 4.555 12.844 1.00 0.00 H new ATOM 1181 N ARG A 79 1.475 1.165 16.431 1.00 0.00 N ATOM 1182 CA ARG A 79 2.096 0.312 17.439 1.00 0.00 C ATOM 1183 C ARG A 79 2.452 -1.065 16.878 1.00 0.00 C ATOM 1184 O ARG A 79 3.522 -1.599 17.167 1.00 0.00 O ATOM 1185 CB ARG A 79 1.168 0.159 18.646 1.00 0.00 C ATOM 1186 CG ARG A 79 -0.156 -0.513 18.319 1.00 0.00 C ATOM 1187 CD ARG A 79 -1.287 0.022 19.185 1.00 0.00 C ATOM 1188 NE ARG A 79 -0.893 0.151 20.588 1.00 0.00 N ATOM 1189 CZ ARG A 79 -0.490 1.290 21.151 1.00 0.00 C ATOM 1190 NH1 ARG A 79 -0.410 2.406 20.437 1.00 0.00 N ATOM 1191 NH2 ARG A 79 -0.163 1.312 22.436 1.00 0.00 N ATOM 0 H ARG A 79 0.461 1.075 16.369 1.00 0.00 H new ATOM 0 HA ARG A 79 3.022 0.794 17.751 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.679 -0.421 19.415 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.970 1.144 19.068 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.396 -0.353 17.268 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.064 -1.589 18.465 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.603 0.994 18.807 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.146 -0.644 19.110 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.929 -0.684 21.173 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.658 2.397 19.448 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.100 3.272 20.878 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.220 0.458 22.991 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.146 2.182 22.869 1.00 0.00 H new ATOM 1205 N ASP A 80 1.550 -1.641 16.089 1.00 0.00 N ATOM 1206 CA ASP A 80 1.781 -2.962 15.511 1.00 0.00 C ATOM 1207 C ASP A 80 0.714 -3.307 14.477 1.00 0.00 C ATOM 1208 O ASP A 80 0.356 -4.473 14.306 1.00 0.00 O ATOM 1209 CB ASP A 80 1.806 -4.024 16.613 1.00 0.00 C ATOM 1210 CG ASP A 80 3.070 -4.861 16.580 1.00 0.00 C ATOM 1211 OD1 ASP A 80 4.155 -4.289 16.346 1.00 0.00 O ATOM 1212 OD2 ASP A 80 2.975 -6.089 16.788 1.00 0.00 O ATOM 0 H ASP A 80 0.657 -1.217 15.836 1.00 0.00 H new ATOM 0 HA ASP A 80 2.748 -2.944 15.008 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.721 -3.538 17.585 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.939 -4.676 16.506 1.00 0.00 H new ATOM 1217 N VAL A 81 0.202 -2.289 13.793 1.00 0.00 N ATOM 1218 CA VAL A 81 -0.833 -2.493 12.783 1.00 0.00 C ATOM 1219 C VAL A 81 -0.237 -2.594 11.378 1.00 0.00 C ATOM 1220 O VAL A 81 0.561 -1.748 10.974 1.00 0.00 O ATOM 1221 CB VAL A 81 -1.863 -1.348 12.794 1.00 0.00 C ATOM 1222 CG1 VAL A 81 -3.053 -1.695 11.916 1.00 0.00 C ATOM 1223 CG2 VAL A 81 -2.315 -1.040 14.212 1.00 0.00 C ATOM 0 H VAL A 81 0.485 -1.317 13.918 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.326 -3.432 13.036 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.385 -0.455 12.390 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.771 -0.875 11.935 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.715 -1.857 10.893 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.528 -2.602 12.289 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.042 -0.228 14.194 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.773 -1.928 14.649 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.455 -0.743 14.812 1.00 0.00 H new ATOM 1233 N PRO A 82 -0.627 -3.627 10.602 1.00 0.00 N ATOM 1234 CA PRO A 82 -0.130 -3.815 9.233 1.00 0.00 C ATOM 1235 C PRO A 82 -0.425 -2.605 8.352 1.00 0.00 C ATOM 1236 O PRO A 82 -1.494 -2.004 8.452 1.00 0.00 O ATOM 1237 CB PRO A 82 -0.901 -5.040 8.729 1.00 0.00 C ATOM 1238 CG PRO A 82 -1.341 -5.751 9.962 1.00 0.00 C ATOM 1239 CD PRO A 82 -1.582 -4.682 10.989 1.00 0.00 C ATOM 0 HA PRO A 82 0.952 -3.942 9.206 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.754 -4.746 8.117 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.269 -5.677 8.110 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.248 -6.328 9.778 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.580 -6.454 10.301 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.611 -4.323 10.964 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.395 -5.044 12.000 1.00 0.00 H new ATOM 1247 N ALA A 83 0.527 -2.243 7.495 1.00 0.00 N ATOM 1248 CA ALA A 83 0.355 -1.096 6.610 1.00 0.00 C ATOM 1249 C ALA A 83 0.368 -1.507 5.142 1.00 0.00 C ATOM 1250 O ALA A 83 0.816 -2.596 4.790 1.00 0.00 O ATOM 1251 CB ALA A 83 1.435 -0.060 6.876 1.00 0.00 C ATOM 0 H ALA A 83 1.420 -2.725 7.395 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.621 -0.660 6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.295 0.791 6.209 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.370 0.276 7.911 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.415 -0.503 6.699 1.00 0.00 H new ATOM 1257 N VAL A 84 -0.130 -0.613 4.294 1.00 0.00 N ATOM 1258 CA VAL A 84 -0.191 -0.847 2.855 1.00 0.00 C ATOM 1259 C VAL A 84 0.305 0.383 2.104 1.00 0.00 C ATOM 1260 O VAL A 84 -0.124 1.493 2.389 1.00 0.00 O ATOM 1261 CB VAL A 84 -1.630 -1.154 2.400 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -1.669 -1.515 0.925 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -2.241 -2.257 3.247 1.00 0.00 C ATOM 0 H VAL A 84 -0.502 0.292 4.583 1.00 0.00 H new ATOM 0 HA VAL A 84 0.443 -1.706 2.634 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.227 -0.253 2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.696 -1.727 0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.287 -0.681 0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.052 -2.396 0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.257 -2.456 2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.642 -3.163 3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.263 -1.944 4.291 1.00 0.00 H new ATOM 1273 N TYR A 85 1.206 0.189 1.149 1.00 0.00 N ATOM 1274 CA TYR A 85 1.738 1.308 0.378 1.00 0.00 C ATOM 1275 C TYR A 85 1.439 1.151 -1.109 1.00 0.00 C ATOM 1276 O TYR A 85 2.253 0.616 -1.863 1.00 0.00 O ATOM 1277 CB TYR A 85 3.248 1.437 0.593 1.00 0.00 C ATOM 1278 CG TYR A 85 3.635 1.734 2.024 1.00 0.00 C ATOM 1279 CD1 TYR A 85 3.749 0.713 2.960 1.00 0.00 C ATOM 1280 CD2 TYR A 85 3.885 3.036 2.440 1.00 0.00 C ATOM 1281 CE1 TYR A 85 4.101 0.982 4.269 1.00 0.00 C ATOM 1282 CE2 TYR A 85 4.239 3.312 3.748 1.00 0.00 C ATOM 1283 CZ TYR A 85 4.344 2.282 4.657 1.00 0.00 C ATOM 1284 OH TYR A 85 4.696 2.552 5.960 1.00 0.00 O ATOM 0 H TYR A 85 1.582 -0.723 0.891 1.00 0.00 H new ATOM 0 HA TYR A 85 1.247 2.214 0.732 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.731 0.511 0.280 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.631 2.230 -0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.559 -0.307 2.660 1.00 0.00 H new ATOM 0 HD2 TYR A 85 3.801 3.846 1.730 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.185 0.177 4.985 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.432 4.329 4.055 1.00 0.00 H new ATOM 0 HH TYR A 85 3.887 2.630 6.508 1.00 0.00 H new ATOM 1294 N PHE A 86 0.272 1.632 -1.529 1.00 0.00 N ATOM 1295 CA PHE A 86 -0.124 1.558 -2.930 1.00 0.00 C ATOM 1296 C PHE A 86 0.307 2.822 -3.663 1.00 0.00 C ATOM 1297 O PHE A 86 -0.475 3.760 -3.827 1.00 0.00 O ATOM 1298 CB PHE A 86 -1.637 1.341 -3.048 1.00 0.00 C ATOM 1299 CG PHE A 86 -2.223 1.758 -4.367 1.00 0.00 C ATOM 1300 CD1 PHE A 86 -1.578 1.452 -5.552 1.00 0.00 C ATOM 1301 CD2 PHE A 86 -3.421 2.449 -4.420 1.00 0.00 C ATOM 1302 CE1 PHE A 86 -2.116 1.829 -6.764 1.00 0.00 C ATOM 1303 CE2 PHE A 86 -3.965 2.826 -5.629 1.00 0.00 C ATOM 1304 CZ PHE A 86 -3.311 2.517 -6.803 1.00 0.00 C ATOM 0 H PHE A 86 -0.414 2.076 -0.919 1.00 0.00 H new ATOM 0 HA PHE A 86 0.374 0.707 -3.394 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.854 0.285 -2.885 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.134 1.895 -2.252 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.643 0.912 -5.527 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.936 2.696 -3.503 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.602 1.586 -7.682 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.902 3.363 -5.657 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.734 2.813 -7.752 1.00 0.00 H new ATOM 1314 N VAL A 87 1.565 2.843 -4.084 1.00 0.00 N ATOM 1315 CA VAL A 87 2.122 3.990 -4.782 1.00 0.00 C ATOM 1316 C VAL A 87 2.970 3.553 -5.973 1.00 0.00 C ATOM 1317 O VAL A 87 3.165 2.363 -6.204 1.00 0.00 O ATOM 1318 CB VAL A 87 2.977 4.852 -3.833 1.00 0.00 C ATOM 1319 CG1 VAL A 87 2.148 5.329 -2.654 1.00 0.00 C ATOM 1320 CG2 VAL A 87 4.186 4.080 -3.342 1.00 0.00 C ATOM 0 H VAL A 87 2.221 2.073 -3.952 1.00 0.00 H new ATOM 0 HA VAL A 87 1.284 4.585 -5.146 1.00 0.00 H new ATOM 0 HB VAL A 87 3.326 5.721 -4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.768 5.936 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.311 5.926 -3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.769 4.468 -2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.773 4.710 -2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.856 3.190 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.799 3.784 -4.193 1.00 0.00 H new ATOM 1330 N MET A 88 3.466 4.521 -6.730 1.00 0.00 N ATOM 1331 CA MET A 88 4.294 4.230 -7.895 1.00 0.00 C ATOM 1332 C MET A 88 5.704 3.848 -7.462 1.00 0.00 C ATOM 1333 O MET A 88 6.164 4.269 -6.407 1.00 0.00 O ATOM 1334 CB MET A 88 4.344 5.452 -8.817 1.00 0.00 C ATOM 1335 CG MET A 88 4.753 5.129 -10.243 1.00 0.00 C ATOM 1336 SD MET A 88 4.082 6.298 -11.436 1.00 0.00 S ATOM 1337 CE MET A 88 2.329 6.018 -11.212 1.00 0.00 C ATOM 0 H MET A 88 3.311 5.515 -6.560 1.00 0.00 H new ATOM 0 HA MET A 88 3.855 3.391 -8.435 1.00 0.00 H new ATOM 0 HB2 MET A 88 3.363 5.926 -8.829 1.00 0.00 H new ATOM 0 HB3 MET A 88 5.044 6.178 -8.404 1.00 0.00 H new ATOM 0 HG2 MET A 88 5.841 5.127 -10.314 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.415 4.124 -10.495 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.787 6.394 -12.080 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.142 4.950 -11.102 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.989 6.540 -10.318 1.00 0.00 H new ATOM 1347 N PRO A 89 6.421 3.048 -8.266 1.00 0.00 N ATOM 1348 CA PRO A 89 7.774 2.637 -7.948 1.00 0.00 C ATOM 1349 C PRO A 89 8.801 3.593 -8.532 1.00 0.00 C ATOM 1350 O PRO A 89 9.826 3.174 -9.068 1.00 0.00 O ATOM 1351 CB PRO A 89 7.873 1.266 -8.606 1.00 0.00 C ATOM 1352 CG PRO A 89 6.906 1.296 -9.752 1.00 0.00 C ATOM 1353 CD PRO A 89 5.983 2.478 -9.548 1.00 0.00 C ATOM 0 HA PRO A 89 7.974 2.624 -6.876 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.887 1.071 -8.954 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.620 0.474 -7.901 1.00 0.00 H new ATOM 0 HG2 PRO A 89 7.438 1.386 -10.699 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.335 0.368 -9.794 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.074 3.201 -10.359 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.939 2.168 -9.512 1.00 0.00 H new ATOM 1361 N THR A 90 8.511 4.884 -8.429 1.00 0.00 N ATOM 1362 CA THR A 90 9.395 5.909 -8.949 1.00 0.00 C ATOM 1363 C THR A 90 10.547 6.180 -7.986 1.00 0.00 C ATOM 1364 O THR A 90 10.458 5.874 -6.798 1.00 0.00 O ATOM 1365 CB THR A 90 8.606 7.190 -9.203 1.00 0.00 C ATOM 1366 OG1 THR A 90 8.041 7.681 -7.999 1.00 0.00 O ATOM 1367 CG2 THR A 90 7.481 7.009 -10.203 1.00 0.00 C ATOM 0 H THR A 90 7.665 5.243 -7.987 1.00 0.00 H new ATOM 0 HA THR A 90 9.819 5.555 -9.889 1.00 0.00 H new ATOM 0 HB THR A 90 9.326 7.897 -9.614 1.00 0.00 H new ATOM 0 HG1 THR A 90 7.541 8.503 -8.184 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.959 7.956 -10.339 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.892 6.681 -11.158 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.782 6.260 -9.832 1.00 0.00 H new ATOM 1375 N GLU A 91 11.629 6.749 -8.512 1.00 0.00 N ATOM 1376 CA GLU A 91 12.811 7.061 -7.705 1.00 0.00 C ATOM 1377 C GLU A 91 12.421 7.684 -6.369 1.00 0.00 C ATOM 1378 O GLU A 91 12.910 7.276 -5.314 1.00 0.00 O ATOM 1379 CB GLU A 91 13.741 8.013 -8.462 1.00 0.00 C ATOM 1380 CG GLU A 91 13.873 7.697 -9.942 1.00 0.00 C ATOM 1381 CD GLU A 91 15.222 8.100 -10.507 1.00 0.00 C ATOM 1382 OE1 GLU A 91 15.905 8.932 -9.875 1.00 0.00 O ATOM 1383 OE2 GLU A 91 15.593 7.582 -11.582 1.00 0.00 O ATOM 0 H GLU A 91 11.714 7.005 -9.496 1.00 0.00 H new ATOM 0 HA GLU A 91 13.333 6.124 -7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.371 9.032 -8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.730 7.980 -8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.723 6.628 -10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.085 8.212 -10.491 1.00 0.00 H new ATOM 1390 N GLU A 92 11.539 8.675 -6.421 1.00 0.00 N ATOM 1391 CA GLU A 92 11.087 9.352 -5.213 1.00 0.00 C ATOM 1392 C GLU A 92 10.290 8.404 -4.325 1.00 0.00 C ATOM 1393 O GLU A 92 10.470 8.381 -3.108 1.00 0.00 O ATOM 1394 CB GLU A 92 10.242 10.577 -5.569 1.00 0.00 C ATOM 1395 CG GLU A 92 8.995 10.243 -6.370 1.00 0.00 C ATOM 1396 CD GLU A 92 8.272 11.481 -6.866 1.00 0.00 C ATOM 1397 OE1 GLU A 92 8.953 12.479 -7.184 1.00 0.00 O ATOM 1398 OE2 GLU A 92 7.026 11.452 -6.937 1.00 0.00 O ATOM 0 H GLU A 92 11.124 9.026 -7.284 1.00 0.00 H new ATOM 0 HA GLU A 92 11.967 9.681 -4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.949 11.085 -4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.853 11.277 -6.139 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.270 9.622 -7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.317 9.654 -5.752 1.00 0.00 H new ATOM 1405 N ASN A 93 9.414 7.620 -4.941 1.00 0.00 N ATOM 1406 CA ASN A 93 8.599 6.668 -4.200 1.00 0.00 C ATOM 1407 C ASN A 93 9.475 5.619 -3.536 1.00 0.00 C ATOM 1408 O ASN A 93 9.268 5.267 -2.374 1.00 0.00 O ATOM 1409 CB ASN A 93 7.594 5.993 -5.127 1.00 0.00 C ATOM 1410 CG ASN A 93 6.498 6.946 -5.570 1.00 0.00 C ATOM 1411 OD1 ASN A 93 6.762 8.106 -5.885 1.00 0.00 O ATOM 1412 ND2 ASN A 93 5.262 6.464 -5.597 1.00 0.00 N ATOM 0 H ASN A 93 9.251 7.625 -5.948 1.00 0.00 H new ATOM 0 HA ASN A 93 8.057 7.213 -3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 93 8.113 5.605 -6.004 1.00 0.00 H new ATOM 0 HB3 ASN A 93 7.148 5.139 -4.617 1.00 0.00 H new ATOM 0 HD21 ASN A 93 4.488 7.062 -5.887 1.00 0.00 H new ATOM 0 HD22 ASN A 93 5.086 5.496 -5.328 1.00 0.00 H new ATOM 1419 N ILE A 94 10.461 5.126 -4.277 1.00 0.00 N ATOM 1420 CA ILE A 94 11.376 4.124 -3.751 1.00 0.00 C ATOM 1421 C ILE A 94 12.003 4.611 -2.451 1.00 0.00 C ATOM 1422 O ILE A 94 12.265 3.824 -1.542 1.00 0.00 O ATOM 1423 CB ILE A 94 12.485 3.778 -4.770 1.00 0.00 C ATOM 1424 CG1 ILE A 94 11.896 3.403 -6.141 1.00 0.00 C ATOM 1425 CG2 ILE A 94 13.356 2.652 -4.241 1.00 0.00 C ATOM 1426 CD1 ILE A 94 10.445 2.961 -6.111 1.00 0.00 C ATOM 0 H ILE A 94 10.646 5.404 -5.241 1.00 0.00 H new ATOM 0 HA ILE A 94 10.799 3.220 -3.558 1.00 0.00 H new ATOM 0 HB ILE A 94 13.101 4.667 -4.906 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.986 4.262 -6.806 1.00 0.00 H new ATOM 0 HG13 ILE A 94 12.496 2.602 -6.572 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.132 2.420 -4.970 1.00 0.00 H new ATOM 0 HG22 ILE A 94 13.819 2.960 -3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 94 12.743 1.767 -4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 94 10.118 2.717 -7.122 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.346 2.081 -5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 94 9.827 3.767 -5.714 1.00 0.00 H new ATOM 1438 N ASP A 95 12.215 5.921 -2.361 1.00 0.00 N ATOM 1439 CA ASP A 95 12.784 6.516 -1.158 1.00 0.00 C ATOM 1440 C ASP A 95 11.745 6.531 -0.039 1.00 0.00 C ATOM 1441 O ASP A 95 12.087 6.509 1.143 1.00 0.00 O ATOM 1442 CB ASP A 95 13.272 7.939 -1.447 1.00 0.00 C ATOM 1443 CG ASP A 95 14.749 8.115 -1.151 1.00 0.00 C ATOM 1444 OD1 ASP A 95 15.569 7.883 -2.064 1.00 0.00 O ATOM 1445 OD2 ASP A 95 15.084 8.485 -0.006 1.00 0.00 O ATOM 0 H ASP A 95 12.002 6.587 -3.103 1.00 0.00 H new ATOM 0 HA ASP A 95 13.636 5.915 -0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.083 8.180 -2.493 1.00 0.00 H new ATOM 0 HB3 ASP A 95 12.697 8.646 -0.848 1.00 0.00 H new ATOM 1450 N ARG A 96 10.469 6.562 -0.426 1.00 0.00 N ATOM 1451 CA ARG A 96 9.368 6.573 0.530 1.00 0.00 C ATOM 1452 C ARG A 96 9.318 5.265 1.313 1.00 0.00 C ATOM 1453 O ARG A 96 9.033 5.258 2.511 1.00 0.00 O ATOM 1454 CB ARG A 96 8.039 6.790 -0.199 1.00 0.00 C ATOM 1455 CG ARG A 96 7.269 8.013 0.268 1.00 0.00 C ATOM 1456 CD ARG A 96 8.011 9.306 -0.027 1.00 0.00 C ATOM 1457 NE ARG A 96 7.126 10.317 -0.602 1.00 0.00 N ATOM 1458 CZ ARG A 96 7.541 11.308 -1.390 1.00 0.00 C ATOM 1459 NH1 ARG A 96 8.827 11.435 -1.690 1.00 0.00 N ATOM 1460 NH2 ARG A 96 6.665 12.176 -1.877 1.00 0.00 N ATOM 0 H ARG A 96 10.174 6.580 -1.402 1.00 0.00 H new ATOM 0 HA ARG A 96 9.533 7.392 1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.234 6.882 -1.267 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.414 5.907 -0.064 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.295 8.035 -0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.086 7.938 1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 96 8.453 9.690 0.892 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.831 9.106 -0.716 1.00 0.00 H new ATOM 0 HE ARG A 96 6.131 10.261 -0.387 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.506 10.771 -1.317 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.137 12.196 -2.294 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.675 12.084 -1.648 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.981 12.935 -2.480 1.00 0.00 H new ATOM 1474 N LEU A 97 9.596 4.159 0.627 1.00 0.00 N ATOM 1475 CA LEU A 97 9.581 2.847 1.260 1.00 0.00 C ATOM 1476 C LEU A 97 10.740 2.714 2.236 1.00 0.00 C ATOM 1477 O LEU A 97 10.580 2.198 3.341 1.00 0.00 O ATOM 1478 CB LEU A 97 9.653 1.747 0.200 1.00 0.00 C ATOM 1479 CG LEU A 97 8.418 1.625 -0.697 1.00 0.00 C ATOM 1480 CD1 LEU A 97 7.145 1.621 0.139 1.00 0.00 C ATOM 1481 CD2 LEU A 97 8.385 2.755 -1.716 1.00 0.00 C ATOM 0 H LEU A 97 9.834 4.147 -0.365 1.00 0.00 H new ATOM 0 HA LEU A 97 8.648 2.740 1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.524 1.928 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.815 0.792 0.700 1.00 0.00 H new ATOM 0 HG LEU A 97 8.477 0.678 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.279 1.534 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.165 0.777 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.079 2.550 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.501 2.652 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.351 3.713 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.279 2.711 -2.338 1.00 0.00 H new ATOM 1493 N CYS A 98 11.906 3.194 1.821 1.00 0.00 N ATOM 1494 CA CYS A 98 13.098 3.142 2.655 1.00 0.00 C ATOM 1495 C CYS A 98 12.938 4.030 3.883 1.00 0.00 C ATOM 1496 O CYS A 98 13.555 3.788 4.922 1.00 0.00 O ATOM 1497 CB CYS A 98 14.321 3.574 1.848 1.00 0.00 C ATOM 1498 SG CYS A 98 15.901 3.083 2.579 1.00 0.00 S ATOM 0 H CYS A 98 12.051 3.625 0.908 1.00 0.00 H new ATOM 0 HA CYS A 98 13.238 2.115 2.992 1.00 0.00 H new ATOM 0 HB2 CYS A 98 14.250 3.151 0.846 1.00 0.00 H new ATOM 0 HB3 CYS A 98 14.305 4.658 1.738 1.00 0.00 H new ATOM 0 HG CYS A 98 16.875 3.492 1.822 1.00 0.00 H new ATOM 1504 N GLN A 99 12.105 5.058 3.759 1.00 0.00 N ATOM 1505 CA GLN A 99 11.863 5.979 4.859 1.00 0.00 C ATOM 1506 C GLN A 99 10.863 5.390 5.850 1.00 0.00 C ATOM 1507 O GLN A 99 11.112 5.366 7.054 1.00 0.00 O ATOM 1508 CB GLN A 99 11.347 7.318 4.328 1.00 0.00 C ATOM 1509 CG GLN A 99 12.450 8.246 3.846 1.00 0.00 C ATOM 1510 CD GLN A 99 13.474 8.543 4.925 1.00 0.00 C ATOM 1511 OE1 GLN A 99 14.513 7.718 4.996 1.00 0.00 O flip ATOM 1512 NE2 GLN A 99 13.333 9.502 5.684 1.00 0.00 N flip ATOM 0 H GLN A 99 11.587 5.273 2.907 1.00 0.00 H new ATOM 0 HA GLN A 99 12.807 6.143 5.378 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.655 7.132 3.506 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.781 7.817 5.114 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.951 7.795 2.989 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.009 9.181 3.502 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.519 10.109 5.593 1.00 0.00 H new ATOM 0 HE22 GLN A 99 14.031 9.689 6.404 1.00 0.00 H new ATOM 1521 N ASP A 100 9.731 4.918 5.336 1.00 0.00 N ATOM 1522 CA ASP A 100 8.698 4.333 6.181 1.00 0.00 C ATOM 1523 C ASP A 100 9.129 2.973 6.723 1.00 0.00 C ATOM 1524 O ASP A 100 8.678 2.549 7.788 1.00 0.00 O ATOM 1525 CB ASP A 100 7.389 4.199 5.400 1.00 0.00 C ATOM 1526 CG ASP A 100 7.496 3.236 4.233 1.00 0.00 C ATOM 1527 OD1 ASP A 100 7.943 2.090 4.445 1.00 0.00 O ATOM 1528 OD2 ASP A 100 7.127 3.629 3.107 1.00 0.00 O ATOM 0 H ASP A 100 9.507 4.930 4.341 1.00 0.00 H new ATOM 0 HA ASP A 100 8.541 4.999 7.029 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.602 3.860 6.074 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.090 5.180 5.030 1.00 0.00 H new ATOM 1533 N LEU A 101 10.001 2.291 5.988 1.00 0.00 N ATOM 1534 CA LEU A 101 10.485 0.980 6.402 1.00 0.00 C ATOM 1535 C LEU A 101 11.485 1.102 7.547 1.00 0.00 C ATOM 1536 O LEU A 101 11.528 0.255 8.439 1.00 0.00 O ATOM 1537 CB LEU A 101 11.128 0.248 5.221 1.00 0.00 C ATOM 1538 CG LEU A 101 10.139 -0.373 4.232 1.00 0.00 C ATOM 1539 CD1 LEU A 101 10.855 -0.825 2.967 1.00 0.00 C ATOM 1540 CD2 LEU A 101 9.410 -1.539 4.879 1.00 0.00 C ATOM 0 H LEU A 101 10.386 2.624 5.104 1.00 0.00 H new ATOM 0 HA LEU A 101 9.629 0.403 6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 101 11.767 0.948 4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 101 11.774 -0.539 5.609 1.00 0.00 H new ATOM 0 HG LEU A 101 9.406 0.385 3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.134 -1.263 2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 101 11.334 0.032 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.611 -1.568 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.710 -1.972 4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.133 -2.296 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.864 -1.186 5.754 1.00 0.00 H new ATOM 1552 N ARG A 102 12.287 2.160 7.517 1.00 0.00 N ATOM 1553 CA ARG A 102 13.284 2.390 8.556 1.00 0.00 C ATOM 1554 C ARG A 102 12.654 3.064 9.770 1.00 0.00 C ATOM 1555 O ARG A 102 13.077 2.842 10.905 1.00 0.00 O ATOM 1556 CB ARG A 102 14.428 3.251 8.013 1.00 0.00 C ATOM 1557 CG ARG A 102 15.544 2.444 7.370 1.00 0.00 C ATOM 1558 CD ARG A 102 16.902 2.805 7.950 1.00 0.00 C ATOM 1559 NE ARG A 102 17.191 4.230 7.821 1.00 0.00 N ATOM 1560 CZ ARG A 102 18.410 4.753 7.931 1.00 0.00 C ATOM 1561 NH1 ARG A 102 19.456 3.970 8.171 1.00 0.00 N ATOM 1562 NH2 ARG A 102 18.586 6.061 7.800 1.00 0.00 N ATOM 0 H ARG A 102 12.267 2.871 6.786 1.00 0.00 H new ATOM 0 HA ARG A 102 13.683 1.424 8.865 1.00 0.00 H new ATOM 0 HB2 ARG A 102 14.028 3.951 7.280 1.00 0.00 H new ATOM 0 HB3 ARG A 102 14.843 3.845 8.827 1.00 0.00 H new ATOM 0 HG2 ARG A 102 15.356 1.380 7.517 1.00 0.00 H new ATOM 0 HG3 ARG A 102 15.548 2.621 6.294 1.00 0.00 H new ATOM 0 HD2 ARG A 102 16.933 2.523 9.002 1.00 0.00 H new ATOM 0 HD3 ARG A 102 17.677 2.231 7.443 1.00 0.00 H new ATOM 0 HE ARG A 102 16.413 4.862 7.636 1.00 0.00 H new ATOM 0 HH11 ARG A 102 19.327 2.963 8.272 1.00 0.00 H new ATOM 0 HH12 ARG A 102 20.388 4.376 8.254 1.00 0.00 H new ATOM 0 HH21 ARG A 102 17.787 6.667 7.615 1.00 0.00 H new ATOM 0 HH22 ARG A 102 19.521 6.461 7.884 1.00 0.00 H new ATOM 1576 N ASN A 103 11.639 3.886 9.523 1.00 0.00 N ATOM 1577 CA ASN A 103 10.946 4.592 10.597 1.00 0.00 C ATOM 1578 C ASN A 103 10.090 3.633 11.420 1.00 0.00 C ATOM 1579 O ASN A 103 9.762 3.915 12.572 1.00 0.00 O ATOM 1580 CB ASN A 103 10.064 5.702 10.023 1.00 0.00 C ATOM 1581 CG ASN A 103 10.868 6.796 9.351 1.00 0.00 C ATOM 1582 OD1 ASN A 103 12.010 7.062 9.723 1.00 0.00 O ATOM 1583 ND2 ASN A 103 10.270 7.439 8.354 1.00 0.00 N ATOM 0 H ASN A 103 11.278 4.080 8.589 1.00 0.00 H new ATOM 0 HA ASN A 103 11.701 5.032 11.248 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.369 5.272 9.302 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.465 6.136 10.824 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.760 8.187 7.863 1.00 0.00 H new ATOM 0 HD22 ASN A 103 9.321 7.184 8.079 1.00 0.00 H new ATOM 1590 N GLN A 104 9.724 2.504 10.819 1.00 0.00 N ATOM 1591 CA GLN A 104 8.898 1.515 11.498 1.00 0.00 C ATOM 1592 C GLN A 104 7.547 2.114 11.870 1.00 0.00 C ATOM 1593 O GLN A 104 6.965 1.776 12.901 1.00 0.00 O ATOM 1594 CB GLN A 104 9.606 0.994 12.752 1.00 0.00 C ATOM 1595 CG GLN A 104 10.693 -0.027 12.455 1.00 0.00 C ATOM 1596 CD GLN A 104 10.506 -1.320 13.224 1.00 0.00 C ATOM 1597 OE1 GLN A 104 11.242 -1.606 14.169 1.00 0.00 O ATOM 1598 NE2 GLN A 104 9.518 -2.111 12.823 1.00 0.00 N ATOM 0 H GLN A 104 9.986 2.253 9.866 1.00 0.00 H new ATOM 0 HA GLN A 104 8.735 0.680 10.817 1.00 0.00 H new ATOM 0 HB2 GLN A 104 10.046 1.836 13.287 1.00 0.00 H new ATOM 0 HB3 GLN A 104 8.868 0.544 13.416 1.00 0.00 H new ATOM 0 HG2 GLN A 104 10.702 -0.242 11.387 1.00 0.00 H new ATOM 0 HG3 GLN A 104 11.665 0.401 12.702 1.00 0.00 H new ATOM 0 HE21 GLN A 104 8.932 -1.835 12.035 1.00 0.00 H new ATOM 0 HE22 GLN A 104 9.345 -2.994 13.303 1.00 0.00 H new ATOM 1607 N LEU A 105 7.056 3.013 11.021 1.00 0.00 N ATOM 1608 CA LEU A 105 5.777 3.672 11.253 1.00 0.00 C ATOM 1609 C LEU A 105 4.649 2.654 11.385 1.00 0.00 C ATOM 1610 O LEU A 105 3.689 2.876 12.116 1.00 0.00 O ATOM 1611 CB LEU A 105 5.467 4.653 10.117 1.00 0.00 C ATOM 1612 CG LEU A 105 6.445 5.822 9.990 1.00 0.00 C ATOM 1613 CD1 LEU A 105 6.221 6.564 8.683 1.00 0.00 C ATOM 1614 CD2 LEU A 105 6.303 6.767 11.172 1.00 0.00 C ATOM 0 H LEU A 105 7.528 3.301 10.164 1.00 0.00 H new ATOM 0 HA LEU A 105 5.851 4.224 12.190 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.456 4.104 9.175 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.464 5.052 10.265 1.00 0.00 H new ATOM 0 HG LEU A 105 7.460 5.424 9.989 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.926 7.392 8.610 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.374 5.882 7.847 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.202 6.950 8.654 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.007 7.592 11.064 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.286 7.159 11.205 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.514 6.228 12.096 1.00 0.00 H new ATOM 1626 N TYR A 106 4.760 1.544 10.664 1.00 0.00 N ATOM 1627 CA TYR A 106 3.730 0.511 10.701 1.00 0.00 C ATOM 1628 C TYR A 106 4.338 -0.885 10.833 1.00 0.00 C ATOM 1629 O TYR A 106 5.524 -1.087 10.571 1.00 0.00 O ATOM 1630 CB TYR A 106 2.862 0.613 9.450 1.00 0.00 C ATOM 1631 CG TYR A 106 2.365 2.021 9.212 1.00 0.00 C ATOM 1632 CD1 TYR A 106 3.235 3.018 8.801 1.00 0.00 C ATOM 1633 CD2 TYR A 106 1.036 2.357 9.423 1.00 0.00 C ATOM 1634 CE1 TYR A 106 2.798 4.312 8.603 1.00 0.00 C ATOM 1635 CE2 TYR A 106 0.590 3.652 9.229 1.00 0.00 C ATOM 1636 CZ TYR A 106 1.474 4.624 8.819 1.00 0.00 C ATOM 1637 OH TYR A 106 1.035 5.913 8.623 1.00 0.00 O ATOM 0 H TYR A 106 5.548 1.336 10.050 1.00 0.00 H new ATOM 0 HA TYR A 106 3.109 0.672 11.582 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.435 0.281 8.584 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.010 -0.060 9.545 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.274 2.778 8.632 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.339 1.597 9.743 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.490 5.076 8.281 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.448 3.899 9.399 1.00 0.00 H new ATOM 0 HH TYR A 106 0.398 6.152 9.328 1.00 0.00 H new ATOM 1647 N GLU A 107 3.514 -1.839 11.261 1.00 0.00 N ATOM 1648 CA GLU A 107 3.960 -3.215 11.457 1.00 0.00 C ATOM 1649 C GLU A 107 4.321 -3.893 10.138 1.00 0.00 C ATOM 1650 O GLU A 107 5.379 -4.513 10.017 1.00 0.00 O ATOM 1651 CB GLU A 107 2.870 -4.021 12.165 1.00 0.00 C ATOM 1652 CG GLU A 107 3.385 -4.848 13.332 1.00 0.00 C ATOM 1653 CD GLU A 107 3.662 -6.289 12.947 1.00 0.00 C ATOM 1654 OE1 GLU A 107 4.666 -6.533 12.245 1.00 0.00 O ATOM 1655 OE2 GLU A 107 2.875 -7.172 13.347 1.00 0.00 O ATOM 0 H GLU A 107 2.530 -1.682 11.479 1.00 0.00 H new ATOM 0 HA GLU A 107 4.859 -3.182 12.073 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.101 -3.338 12.526 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.393 -4.684 11.443 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.299 -4.396 13.717 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.653 -4.826 14.140 1.00 0.00 H new ATOM 1662 N SER A 108 3.432 -3.786 9.156 1.00 0.00 N ATOM 1663 CA SER A 108 3.656 -4.401 7.853 1.00 0.00 C ATOM 1664 C SER A 108 3.832 -3.341 6.774 1.00 0.00 C ATOM 1665 O SER A 108 3.763 -2.145 7.051 1.00 0.00 O ATOM 1666 CB SER A 108 2.492 -5.326 7.494 1.00 0.00 C ATOM 1667 OG SER A 108 1.417 -4.600 6.923 1.00 0.00 O ATOM 0 H SER A 108 2.550 -3.280 9.238 1.00 0.00 H new ATOM 0 HA SER A 108 4.572 -4.989 7.910 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.833 -6.088 6.793 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.149 -5.846 8.388 1.00 0.00 H new ATOM 0 HG SER A 108 0.933 -5.174 6.293 1.00 0.00 H new ATOM 1673 N TYR A 109 4.069 -3.786 5.544 1.00 0.00 N ATOM 1674 CA TYR A 109 4.263 -2.864 4.432 1.00 0.00 C ATOM 1675 C TYR A 109 3.714 -3.432 3.124 1.00 0.00 C ATOM 1676 O TYR A 109 4.459 -3.657 2.172 1.00 0.00 O ATOM 1677 CB TYR A 109 5.749 -2.529 4.282 1.00 0.00 C ATOM 1678 CG TYR A 109 6.364 -1.948 5.537 1.00 0.00 C ATOM 1679 CD1 TYR A 109 6.727 -2.767 6.599 1.00 0.00 C ATOM 1680 CD2 TYR A 109 6.574 -0.580 5.664 1.00 0.00 C ATOM 1681 CE1 TYR A 109 7.282 -2.240 7.749 1.00 0.00 C ATOM 1682 CE2 TYR A 109 7.129 -0.046 6.812 1.00 0.00 C ATOM 1683 CZ TYR A 109 7.481 -0.880 7.851 1.00 0.00 C ATOM 1684 OH TYR A 109 8.032 -0.353 8.996 1.00 0.00 O ATOM 0 H TYR A 109 4.131 -4.773 5.294 1.00 0.00 H new ATOM 0 HA TYR A 109 3.708 -1.953 4.654 1.00 0.00 H new ATOM 0 HB2 TYR A 109 6.291 -3.433 4.005 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.873 -1.820 3.464 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.573 -3.833 6.524 1.00 0.00 H new ATOM 0 HD2 TYR A 109 6.299 0.077 4.852 1.00 0.00 H new ATOM 0 HE1 TYR A 109 7.559 -2.891 8.565 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.286 1.019 6.894 1.00 0.00 H new ATOM 0 HH TYR A 109 7.414 -0.481 9.745 1.00 0.00 H new ATOM 1694 N TYR A 110 2.400 -3.641 3.080 1.00 0.00 N ATOM 1695 CA TYR A 110 1.745 -4.159 1.882 1.00 0.00 C ATOM 1696 C TYR A 110 1.929 -3.175 0.731 1.00 0.00 C ATOM 1697 O TYR A 110 1.131 -2.256 0.556 1.00 0.00 O ATOM 1698 CB TYR A 110 0.253 -4.384 2.156 1.00 0.00 C ATOM 1699 CG TYR A 110 -0.437 -5.277 1.149 1.00 0.00 C ATOM 1700 CD1 TYR A 110 -0.394 -4.993 -0.212 1.00 0.00 C ATOM 1701 CD2 TYR A 110 -1.139 -6.401 1.561 1.00 0.00 C ATOM 1702 CE1 TYR A 110 -1.030 -5.806 -1.130 1.00 0.00 C ATOM 1703 CE2 TYR A 110 -1.777 -7.219 0.648 1.00 0.00 C ATOM 1704 CZ TYR A 110 -1.720 -6.917 -0.696 1.00 0.00 C ATOM 1705 OH TYR A 110 -2.355 -7.728 -1.607 1.00 0.00 O ATOM 0 H TYR A 110 1.768 -3.460 3.860 1.00 0.00 H new ATOM 0 HA TYR A 110 2.196 -5.113 1.609 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.140 -4.820 3.149 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.251 -3.418 2.173 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.145 -4.123 -0.557 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -1.188 -6.641 2.613 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.987 -5.572 -2.183 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -2.318 -8.091 0.986 1.00 0.00 H new ATOM 0 HH TYR A 110 -2.794 -8.468 -1.137 1.00 0.00 H new ATOM 1715 N LEU A 111 2.999 -3.356 -0.037 1.00 0.00 N ATOM 1716 CA LEU A 111 3.303 -2.463 -1.151 1.00 0.00 C ATOM 1717 C LEU A 111 2.489 -2.792 -2.398 1.00 0.00 C ATOM 1718 O LEU A 111 2.122 -3.942 -2.636 1.00 0.00 O ATOM 1719 CB LEU A 111 4.796 -2.517 -1.481 1.00 0.00 C ATOM 1720 CG LEU A 111 5.732 -2.450 -0.272 1.00 0.00 C ATOM 1721 CD1 LEU A 111 7.183 -2.370 -0.721 1.00 0.00 C ATOM 1722 CD2 LEU A 111 5.378 -1.261 0.606 1.00 0.00 C ATOM 0 H LEU A 111 3.670 -4.113 0.091 1.00 0.00 H new ATOM 0 HA LEU A 111 3.030 -1.456 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 111 4.998 -3.439 -2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 111 5.034 -1.691 -2.151 1.00 0.00 H new ATOM 0 HG LEU A 111 5.606 -3.361 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 111 7.832 -2.323 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.431 -3.253 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.327 -1.476 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.052 -1.227 1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.476 -0.341 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.351 -1.361 0.957 1.00 0.00 H new ATOM 1734 N ASN A 112 2.229 -1.759 -3.194 1.00 0.00 N ATOM 1735 CA ASN A 112 1.476 -1.896 -4.436 1.00 0.00 C ATOM 1736 C ASN A 112 1.925 -0.830 -5.428 1.00 0.00 C ATOM 1737 O ASN A 112 1.677 0.360 -5.233 1.00 0.00 O ATOM 1738 CB ASN A 112 -0.026 -1.777 -4.172 1.00 0.00 C ATOM 1739 CG ASN A 112 -0.636 -3.079 -3.695 1.00 0.00 C ATOM 1740 OD1 ASN A 112 -0.633 -3.379 -2.501 1.00 0.00 O ATOM 1741 ND2 ASN A 112 -1.165 -3.862 -4.628 1.00 0.00 N ATOM 0 H ASN A 112 2.534 -0.806 -2.997 1.00 0.00 H new ATOM 0 HA ASN A 112 1.670 -2.882 -4.858 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -0.200 -1.003 -3.425 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.528 -1.457 -5.085 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.591 -4.751 -4.366 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.146 -3.574 -5.606 1.00 0.00 H new ATOM 1748 N PHE A 113 2.607 -1.265 -6.481 1.00 0.00 N ATOM 1749 CA PHE A 113 3.113 -0.348 -7.491 1.00 0.00 C ATOM 1750 C PHE A 113 2.122 -0.157 -8.634 1.00 0.00 C ATOM 1751 O PHE A 113 1.535 -1.119 -9.127 1.00 0.00 O ATOM 1752 CB PHE A 113 4.448 -0.857 -8.040 1.00 0.00 C ATOM 1753 CG PHE A 113 5.596 -0.719 -7.075 1.00 0.00 C ATOM 1754 CD1 PHE A 113 5.733 0.416 -6.291 1.00 0.00 C ATOM 1755 CD2 PHE A 113 6.540 -1.728 -6.956 1.00 0.00 C ATOM 1756 CE1 PHE A 113 6.790 0.543 -5.407 1.00 0.00 C ATOM 1757 CE2 PHE A 113 7.599 -1.606 -6.073 1.00 0.00 C ATOM 1758 CZ PHE A 113 7.724 -0.469 -5.299 1.00 0.00 C ATOM 0 H PHE A 113 2.821 -2.247 -6.656 1.00 0.00 H new ATOM 0 HA PHE A 113 3.258 0.620 -7.012 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.341 -1.906 -8.314 1.00 0.00 H new ATOM 0 HB3 PHE A 113 4.686 -0.312 -8.953 1.00 0.00 H new ATOM 0 HD1 PHE A 113 5.006 1.211 -6.371 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.448 -2.619 -7.559 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.885 1.433 -4.802 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.327 -2.399 -5.989 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.550 -0.371 -4.611 1.00 0.00 H new ATOM 1768 N ILE A 114 1.954 1.095 -9.057 1.00 0.00 N ATOM 1769 CA ILE A 114 1.041 1.416 -10.164 1.00 0.00 C ATOM 1770 C ILE A 114 1.715 1.153 -11.513 1.00 0.00 C ATOM 1771 O ILE A 114 1.047 0.879 -12.508 1.00 0.00 O ATOM 1772 CB ILE A 114 0.533 2.887 -10.159 1.00 0.00 C ATOM 1773 CG1 ILE A 114 1.109 3.695 -8.991 1.00 0.00 C ATOM 1774 CG2 ILE A 114 -0.991 2.928 -10.135 1.00 0.00 C ATOM 1775 CD1 ILE A 114 0.525 3.332 -7.645 1.00 0.00 C ATOM 0 H ILE A 114 2.432 1.902 -8.656 1.00 0.00 H new ATOM 0 HA ILE A 114 0.179 0.765 -10.017 1.00 0.00 H new ATOM 0 HB ILE A 114 0.886 3.352 -11.079 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.189 3.548 -8.959 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.937 4.755 -9.176 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -1.327 3.965 -10.132 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -1.383 2.422 -11.018 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -1.354 2.426 -9.238 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.984 3.947 -6.871 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.551 3.506 -7.656 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.720 2.280 -7.435 1.00 0.00 H new ATOM 1787 N SER A 115 3.040 1.239 -11.542 1.00 0.00 N ATOM 1788 CA SER A 115 3.792 1.011 -12.770 1.00 0.00 C ATOM 1789 C SER A 115 4.625 -0.263 -12.674 1.00 0.00 C ATOM 1790 O SER A 115 4.808 -0.817 -11.589 1.00 0.00 O ATOM 1791 CB SER A 115 4.700 2.207 -13.064 1.00 0.00 C ATOM 1792 OG SER A 115 4.960 2.321 -14.452 1.00 0.00 O ATOM 0 H SER A 115 3.615 1.465 -10.730 1.00 0.00 H new ATOM 0 HA SER A 115 3.079 0.894 -13.586 1.00 0.00 H new ATOM 0 HB2 SER A 115 4.230 3.122 -12.703 1.00 0.00 H new ATOM 0 HB3 SER A 115 5.640 2.096 -12.523 1.00 0.00 H new ATOM 0 HG SER A 115 5.541 3.094 -14.614 1.00 0.00 H new ATOM 1798 N ALA A 116 5.126 -0.725 -13.816 1.00 0.00 N ATOM 1799 CA ALA A 116 5.936 -1.936 -13.864 1.00 0.00 C ATOM 1800 C ALA A 116 7.363 -1.667 -13.398 1.00 0.00 C ATOM 1801 O ALA A 116 8.218 -1.257 -14.184 1.00 0.00 O ATOM 1802 CB ALA A 116 5.941 -2.508 -15.273 1.00 0.00 C ATOM 0 H ALA A 116 4.984 -0.277 -14.722 1.00 0.00 H new ATOM 0 HA ALA A 116 5.493 -2.665 -13.185 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.549 -3.412 -15.296 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.921 -2.749 -15.571 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.357 -1.773 -15.963 1.00 0.00 H new ATOM 1808 N ILE A 117 7.616 -1.904 -12.115 1.00 0.00 N ATOM 1809 CA ILE A 117 8.941 -1.692 -11.545 1.00 0.00 C ATOM 1810 C ILE A 117 9.899 -2.808 -11.957 1.00 0.00 C ATOM 1811 O ILE A 117 9.469 -3.892 -12.351 1.00 0.00 O ATOM 1812 CB ILE A 117 8.877 -1.605 -10.006 1.00 0.00 C ATOM 1813 CG1 ILE A 117 10.269 -1.332 -9.423 1.00 0.00 C ATOM 1814 CG2 ILE A 117 8.284 -2.880 -9.428 1.00 0.00 C ATOM 1815 CD1 ILE A 117 10.247 -0.866 -7.981 1.00 0.00 C ATOM 0 H ILE A 117 6.920 -2.243 -11.450 1.00 0.00 H new ATOM 0 HA ILE A 117 9.314 -0.745 -11.934 1.00 0.00 H new ATOM 0 HB ILE A 117 8.228 -0.773 -9.731 1.00 0.00 H new ATOM 0 HG12 ILE A 117 10.866 -2.241 -9.492 1.00 0.00 H new ATOM 0 HG13 ILE A 117 10.766 -0.577 -10.032 1.00 0.00 H new ATOM 0 HG21 ILE A 117 8.245 -2.803 -8.341 1.00 0.00 H new ATOM 0 HG22 ILE A 117 7.276 -3.022 -9.818 1.00 0.00 H new ATOM 0 HG23 ILE A 117 8.905 -3.730 -9.710 1.00 0.00 H new ATOM 0 HD11 ILE A 117 11.267 -0.693 -7.639 1.00 0.00 H new ATOM 0 HD12 ILE A 117 9.678 0.061 -7.907 1.00 0.00 H new ATOM 0 HD13 ILE A 117 9.780 -1.630 -7.359 1.00 0.00 H new ATOM 1827 N SER A 118 11.196 -2.532 -11.869 1.00 0.00 N ATOM 1828 CA SER A 118 12.213 -3.512 -12.241 1.00 0.00 C ATOM 1829 C SER A 118 12.920 -4.067 -11.008 1.00 0.00 C ATOM 1830 O SER A 118 12.842 -3.491 -9.923 1.00 0.00 O ATOM 1831 CB SER A 118 13.236 -2.880 -13.186 1.00 0.00 C ATOM 1832 OG SER A 118 13.617 -3.786 -14.207 1.00 0.00 O ATOM 0 H SER A 118 11.568 -1.640 -11.544 1.00 0.00 H new ATOM 0 HA SER A 118 11.714 -4.337 -12.750 1.00 0.00 H new ATOM 0 HB2 SER A 118 12.815 -1.980 -13.633 1.00 0.00 H new ATOM 0 HB3 SER A 118 14.116 -2.573 -12.621 1.00 0.00 H new ATOM 0 HG SER A 118 14.270 -3.357 -14.798 1.00 0.00 H new ATOM 1838 N ARG A 119 13.608 -5.192 -11.186 1.00 0.00 N ATOM 1839 CA ARG A 119 14.330 -5.830 -10.090 1.00 0.00 C ATOM 1840 C ARG A 119 15.292 -4.849 -9.426 1.00 0.00 C ATOM 1841 O ARG A 119 15.563 -4.944 -8.229 1.00 0.00 O ATOM 1842 CB ARG A 119 15.100 -7.049 -10.601 1.00 0.00 C ATOM 1843 CG ARG A 119 16.139 -6.715 -11.660 1.00 0.00 C ATOM 1844 CD ARG A 119 15.739 -7.241 -13.031 1.00 0.00 C ATOM 1845 NE ARG A 119 16.805 -8.031 -13.643 1.00 0.00 N ATOM 1846 CZ ARG A 119 17.068 -9.296 -13.321 1.00 0.00 C ATOM 1847 NH1 ARG A 119 16.344 -9.918 -12.398 1.00 0.00 N ATOM 1848 NH2 ARG A 119 18.057 -9.941 -13.923 1.00 0.00 N ATOM 0 H ARG A 119 13.680 -5.680 -12.079 1.00 0.00 H new ATOM 0 HA ARG A 119 13.600 -6.153 -9.348 1.00 0.00 H new ATOM 0 HB2 ARG A 119 15.595 -7.534 -9.760 1.00 0.00 H new ATOM 0 HB3 ARG A 119 14.392 -7.768 -11.013 1.00 0.00 H new ATOM 0 HG2 ARG A 119 16.272 -5.634 -11.710 1.00 0.00 H new ATOM 0 HG3 ARG A 119 17.100 -7.142 -11.373 1.00 0.00 H new ATOM 0 HD2 ARG A 119 14.842 -7.853 -12.938 1.00 0.00 H new ATOM 0 HD3 ARG A 119 15.488 -6.404 -13.682 1.00 0.00 H new ATOM 0 HE ARG A 119 17.381 -7.588 -14.358 1.00 0.00 H new ATOM 0 HH11 ARG A 119 15.582 -9.427 -11.931 1.00 0.00 H new ATOM 0 HH12 ARG A 119 16.550 -10.887 -12.156 1.00 0.00 H new ATOM 0 HH21 ARG A 119 18.617 -9.468 -14.633 1.00 0.00 H new ATOM 0 HH22 ARG A 119 18.259 -10.910 -13.676 1.00 0.00 H new ATOM 1862 N SER A 120 15.801 -3.904 -10.210 1.00 0.00 N ATOM 1863 CA SER A 120 16.727 -2.904 -9.695 1.00 0.00 C ATOM 1864 C SER A 120 16.038 -2.011 -8.670 1.00 0.00 C ATOM 1865 O SER A 120 16.425 -1.974 -7.502 1.00 0.00 O ATOM 1866 CB SER A 120 17.284 -2.055 -10.840 1.00 0.00 C ATOM 1867 OG SER A 120 18.655 -1.760 -10.636 1.00 0.00 O ATOM 0 H SER A 120 15.588 -3.810 -11.203 1.00 0.00 H new ATOM 0 HA SER A 120 17.552 -3.422 -9.206 1.00 0.00 H new ATOM 0 HB2 SER A 120 17.159 -2.585 -11.784 1.00 0.00 H new ATOM 0 HB3 SER A 120 16.717 -1.127 -10.918 1.00 0.00 H new ATOM 0 HG SER A 120 18.988 -1.218 -11.382 1.00 0.00 H new ATOM 1873 N LYS A 121 15.009 -1.296 -9.113 1.00 0.00 N ATOM 1874 CA LYS A 121 14.264 -0.408 -8.231 1.00 0.00 C ATOM 1875 C LYS A 121 13.544 -1.208 -7.151 1.00 0.00 C ATOM 1876 O LYS A 121 13.357 -0.730 -6.031 1.00 0.00 O ATOM 1877 CB LYS A 121 13.256 0.418 -9.031 1.00 0.00 C ATOM 1878 CG LYS A 121 13.900 1.482 -9.905 1.00 0.00 C ATOM 1879 CD LYS A 121 13.093 1.726 -11.169 1.00 0.00 C ATOM 1880 CE LYS A 121 11.762 2.393 -10.859 1.00 0.00 C ATOM 1881 NZ LYS A 121 10.906 2.517 -12.071 1.00 0.00 N ATOM 0 H LYS A 121 14.673 -1.315 -10.076 1.00 0.00 H new ATOM 0 HA LYS A 121 14.971 0.269 -7.752 1.00 0.00 H new ATOM 0 HB2 LYS A 121 12.669 -0.251 -9.660 1.00 0.00 H new ATOM 0 HB3 LYS A 121 12.562 0.898 -8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 121 13.988 2.412 -9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 121 14.911 1.173 -10.171 1.00 0.00 H new ATOM 0 HD2 LYS A 121 13.665 2.353 -11.852 1.00 0.00 H new ATOM 0 HD3 LYS A 121 12.917 0.779 -11.678 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.235 1.815 -10.100 1.00 0.00 H new ATOM 0 HE3 LYS A 121 11.941 3.383 -10.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 10.008 2.977 -11.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 11.398 3.090 -12.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 10.713 1.571 -12.458 1.00 0.00 H new ATOM 1895 N LEU A 122 13.149 -2.430 -7.492 1.00 0.00 N ATOM 1896 CA LEU A 122 12.458 -3.297 -6.547 1.00 0.00 C ATOM 1897 C LEU A 122 13.361 -3.629 -5.369 1.00 0.00 C ATOM 1898 O LEU A 122 13.009 -3.379 -4.215 1.00 0.00 O ATOM 1899 CB LEU A 122 12.004 -4.580 -7.236 1.00 0.00 C ATOM 1900 CG LEU A 122 10.599 -4.514 -7.832 1.00 0.00 C ATOM 1901 CD1 LEU A 122 10.611 -4.982 -9.274 1.00 0.00 C ATOM 1902 CD2 LEU A 122 9.623 -5.335 -7.005 1.00 0.00 C ATOM 0 H LEU A 122 13.296 -2.841 -8.414 1.00 0.00 H new ATOM 0 HA LEU A 122 11.580 -2.768 -6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.711 -4.821 -8.030 1.00 0.00 H new ATOM 0 HB3 LEU A 122 12.042 -5.397 -6.516 1.00 0.00 H new ATOM 0 HG LEU A 122 10.267 -3.476 -7.812 1.00 0.00 H new ATOM 0 HD11 LEU A 122 9.602 -4.928 -9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 122 11.273 -4.343 -9.858 1.00 0.00 H new ATOM 0 HD13 LEU A 122 10.966 -6.011 -9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.629 -5.273 -7.448 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.948 -6.375 -6.986 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.591 -4.946 -5.987 1.00 0.00 H new ATOM 1914 N GLU A 123 14.534 -4.186 -5.663 1.00 0.00 N ATOM 1915 CA GLU A 123 15.490 -4.537 -4.621 1.00 0.00 C ATOM 1916 C GLU A 123 15.695 -3.361 -3.677 1.00 0.00 C ATOM 1917 O GLU A 123 15.895 -3.539 -2.479 1.00 0.00 O ATOM 1918 CB GLU A 123 16.824 -4.959 -5.238 1.00 0.00 C ATOM 1919 CG GLU A 123 17.109 -6.441 -5.087 1.00 0.00 C ATOM 1920 CD GLU A 123 18.461 -6.837 -5.649 1.00 0.00 C ATOM 1921 OE1 GLU A 123 19.479 -6.602 -4.965 1.00 0.00 O ATOM 1922 OE2 GLU A 123 18.500 -7.383 -6.772 1.00 0.00 O ATOM 0 H GLU A 123 14.842 -4.402 -6.611 1.00 0.00 H new ATOM 0 HA GLU A 123 15.090 -5.377 -4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 123 16.825 -4.701 -6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 123 17.629 -4.391 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 123 17.066 -6.709 -4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 123 16.329 -7.010 -5.593 1.00 0.00 H new ATOM 1929 N ASP A 124 15.624 -2.154 -4.229 1.00 0.00 N ATOM 1930 CA ASP A 124 15.782 -0.944 -3.434 1.00 0.00 C ATOM 1931 C ASP A 124 14.739 -0.909 -2.324 1.00 0.00 C ATOM 1932 O ASP A 124 15.072 -0.756 -1.149 1.00 0.00 O ATOM 1933 CB ASP A 124 15.649 0.297 -4.319 1.00 0.00 C ATOM 1934 CG ASP A 124 16.258 1.532 -3.682 1.00 0.00 C ATOM 1935 OD1 ASP A 124 16.669 1.453 -2.505 1.00 0.00 O ATOM 1936 OD2 ASP A 124 16.326 2.578 -4.362 1.00 0.00 O ATOM 0 H ASP A 124 15.458 -1.989 -5.222 1.00 0.00 H new ATOM 0 HA ASP A 124 16.776 -0.948 -2.987 1.00 0.00 H new ATOM 0 HB2 ASP A 124 16.134 0.110 -5.277 1.00 0.00 H new ATOM 0 HB3 ASP A 124 14.595 0.481 -4.526 1.00 0.00 H new ATOM 1941 N ILE A 125 13.472 -1.071 -2.701 1.00 0.00 N ATOM 1942 CA ILE A 125 12.384 -1.078 -1.734 1.00 0.00 C ATOM 1943 C ILE A 125 12.487 -2.306 -0.835 1.00 0.00 C ATOM 1944 O ILE A 125 12.484 -2.193 0.391 1.00 0.00 O ATOM 1945 CB ILE A 125 11.007 -1.064 -2.427 1.00 0.00 C ATOM 1946 CG1 ILE A 125 10.784 0.274 -3.127 1.00 0.00 C ATOM 1947 CG2 ILE A 125 9.896 -1.324 -1.424 1.00 0.00 C ATOM 1948 CD1 ILE A 125 11.070 0.225 -4.607 1.00 0.00 C ATOM 0 H ILE A 125 13.177 -1.199 -3.669 1.00 0.00 H new ATOM 0 HA ILE A 125 12.474 -0.173 -1.134 1.00 0.00 H new ATOM 0 HB ILE A 125 10.989 -1.860 -3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 125 9.752 0.590 -2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 125 11.420 1.029 -2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 125 8.933 -1.310 -1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.046 -2.299 -0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 125 9.911 -0.550 -0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 125 10.892 1.207 -5.045 1.00 0.00 H new ATOM 0 HD12 ILE A 125 12.110 -0.061 -4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 125 10.415 -0.507 -5.080 1.00 0.00 H new ATOM 1960 N ALA A 126 12.593 -3.479 -1.454 1.00 0.00 N ATOM 1961 CA ALA A 126 12.716 -4.723 -0.706 1.00 0.00 C ATOM 1962 C ALA A 126 13.866 -4.620 0.284 1.00 0.00 C ATOM 1963 O ALA A 126 13.758 -5.046 1.435 1.00 0.00 O ATOM 1964 CB ALA A 126 12.927 -5.895 -1.652 1.00 0.00 C ATOM 0 H ALA A 126 12.596 -3.592 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 126 11.792 -4.895 -0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 126 13.017 -6.816 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 126 12.077 -5.973 -2.330 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.838 -5.738 -2.229 1.00 0.00 H new ATOM 1970 N ASN A 127 14.964 -4.025 -0.172 1.00 0.00 N ATOM 1971 CA ASN A 127 16.130 -3.837 0.673 1.00 0.00 C ATOM 1972 C ASN A 127 15.883 -2.700 1.647 1.00 0.00 C ATOM 1973 O ASN A 127 16.393 -2.711 2.768 1.00 0.00 O ATOM 1974 CB ASN A 127 17.375 -3.554 -0.170 1.00 0.00 C ATOM 1975 CG ASN A 127 17.814 -4.760 -0.978 1.00 0.00 C ATOM 1976 OD1 ASN A 127 17.703 -5.899 -0.524 1.00 0.00 O ATOM 1977 ND2 ASN A 127 18.315 -4.515 -2.183 1.00 0.00 N ATOM 0 H ASN A 127 15.067 -3.666 -1.121 1.00 0.00 H new ATOM 0 HA ASN A 127 16.303 -4.756 1.233 1.00 0.00 H new ATOM 0 HB2 ASN A 127 17.172 -2.723 -0.845 1.00 0.00 H new ATOM 0 HB3 ASN A 127 18.190 -3.242 0.484 1.00 0.00 H new ATOM 0 HD21 ASN A 127 18.626 -5.287 -2.772 1.00 0.00 H new ATOM 0 HD22 ASN A 127 18.388 -3.555 -2.519 1.00 0.00 H new ATOM 1984 N ALA A 128 15.077 -1.726 1.229 1.00 0.00 N ATOM 1985 CA ALA A 128 14.751 -0.603 2.092 1.00 0.00 C ATOM 1986 C ALA A 128 14.264 -1.112 3.446 1.00 0.00 C ATOM 1987 O ALA A 128 14.430 -0.454 4.473 1.00 0.00 O ATOM 1988 CB ALA A 128 13.696 0.276 1.436 1.00 0.00 C ATOM 0 H ALA A 128 14.643 -1.695 0.306 1.00 0.00 H new ATOM 0 HA ALA A 128 15.647 -0.002 2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.461 1.114 2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 128 14.076 0.654 0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.794 -0.310 1.258 1.00 0.00 H new ATOM 1994 N ALA A 129 13.664 -2.302 3.428 1.00 0.00 N ATOM 1995 CA ALA A 129 13.149 -2.928 4.636 1.00 0.00 C ATOM 1996 C ALA A 129 14.234 -3.735 5.335 1.00 0.00 C ATOM 1997 O ALA A 129 14.328 -3.734 6.560 1.00 0.00 O ATOM 1998 CB ALA A 129 11.964 -3.822 4.300 1.00 0.00 C ATOM 0 H ALA A 129 13.524 -2.852 2.581 1.00 0.00 H new ATOM 0 HA ALA A 129 12.819 -2.141 5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 129 11.587 -4.285 5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 129 11.175 -3.224 3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 129 12.280 -4.598 3.603 1.00 0.00 H new ATOM 2004 N LEU A 130 15.053 -4.424 4.543 1.00 0.00 N ATOM 2005 CA LEU A 130 16.138 -5.241 5.083 1.00 0.00 C ATOM 2006 C LEU A 130 16.932 -4.468 6.134 1.00 0.00 C ATOM 2007 O LEU A 130 17.494 -5.056 7.058 1.00 0.00 O ATOM 2008 CB LEU A 130 17.071 -5.698 3.956 1.00 0.00 C ATOM 2009 CG LEU A 130 16.733 -7.054 3.332 1.00 0.00 C ATOM 2010 CD1 LEU A 130 16.576 -8.118 4.408 1.00 0.00 C ATOM 2011 CD2 LEU A 130 15.471 -6.956 2.489 1.00 0.00 C ATOM 0 H LEU A 130 14.986 -4.433 3.525 1.00 0.00 H new ATOM 0 HA LEU A 130 15.697 -6.117 5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 130 17.060 -4.943 3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 130 18.089 -5.740 4.344 1.00 0.00 H new ATOM 0 HG LEU A 130 17.558 -7.345 2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 130 16.336 -9.074 3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 130 17.507 -8.210 4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 130 15.772 -7.833 5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 130 15.247 -7.930 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 130 14.638 -6.639 3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 130 15.622 -6.228 1.691 1.00 0.00 H new ATOM 2023 N ALA A 131 16.968 -3.149 5.986 1.00 0.00 N ATOM 2024 CA ALA A 131 17.687 -2.294 6.923 1.00 0.00 C ATOM 2025 C ALA A 131 17.042 -2.335 8.304 1.00 0.00 C ATOM 2026 O ALA A 131 17.733 -2.419 9.320 1.00 0.00 O ATOM 2027 CB ALA A 131 17.735 -0.865 6.403 1.00 0.00 C ATOM 0 H ALA A 131 16.508 -2.648 5.226 1.00 0.00 H new ATOM 0 HA ALA A 131 18.706 -2.670 7.014 1.00 0.00 H new ATOM 0 HB1 ALA A 131 18.275 -0.238 7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 131 18.245 -0.845 5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 131 16.720 -0.487 6.284 1.00 0.00 H new ATOM 2033 N ALA A 132 15.715 -2.274 8.334 1.00 0.00 N ATOM 2034 CA ALA A 132 14.973 -2.305 9.590 1.00 0.00 C ATOM 2035 C ALA A 132 14.347 -3.677 9.840 1.00 0.00 C ATOM 2036 O ALA A 132 13.684 -3.889 10.855 1.00 0.00 O ATOM 2037 CB ALA A 132 13.898 -1.228 9.589 1.00 0.00 C ATOM 0 H ALA A 132 15.130 -2.203 7.501 1.00 0.00 H new ATOM 0 HA ALA A 132 15.677 -2.110 10.399 1.00 0.00 H new ATOM 0 HB1 ALA A 132 13.350 -1.260 10.531 1.00 0.00 H new ATOM 0 HB2 ALA A 132 14.364 -0.249 9.473 1.00 0.00 H new ATOM 0 HB3 ALA A 132 13.209 -1.402 8.762 1.00 0.00 H new ATOM 2043 N ASN A 133 14.557 -4.605 8.908 1.00 0.00 N ATOM 2044 CA ASN A 133 14.009 -5.952 9.029 1.00 0.00 C ATOM 2045 C ASN A 133 12.490 -5.911 9.172 1.00 0.00 C ATOM 2046 O ASN A 133 11.918 -6.565 10.043 1.00 0.00 O ATOM 2047 CB ASN A 133 14.629 -6.673 10.225 1.00 0.00 C ATOM 2048 CG ASN A 133 15.846 -7.492 9.840 1.00 0.00 C ATOM 2049 OD1 ASN A 133 15.853 -8.716 9.974 1.00 0.00 O ATOM 2050 ND2 ASN A 133 16.885 -6.818 9.361 1.00 0.00 N ATOM 0 H ASN A 133 15.103 -4.447 8.061 1.00 0.00 H new ATOM 0 HA ASN A 133 14.254 -6.500 8.119 1.00 0.00 H new ATOM 0 HB2 ASN A 133 14.912 -5.940 10.981 1.00 0.00 H new ATOM 0 HB3 ASN A 133 13.883 -7.326 10.678 1.00 0.00 H new ATOM 0 HD21 ASN A 133 17.733 -7.315 9.087 1.00 0.00 H new ATOM 0 HD22 ASN A 133 16.835 -5.804 9.267 1.00 0.00 H new ATOM 2057 N ALA A 134 11.845 -5.136 8.309 1.00 0.00 N ATOM 2058 CA ALA A 134 10.394 -5.007 8.338 1.00 0.00 C ATOM 2059 C ALA A 134 9.739 -5.932 7.317 1.00 0.00 C ATOM 2060 O ALA A 134 10.238 -6.095 6.203 1.00 0.00 O ATOM 2061 CB ALA A 134 9.990 -3.563 8.087 1.00 0.00 C ATOM 0 H ALA A 134 12.303 -4.588 7.581 1.00 0.00 H new ATOM 0 HA ALA A 134 10.046 -5.302 9.328 1.00 0.00 H new ATOM 0 HB1 ALA A 134 8.903 -3.480 8.111 1.00 0.00 H new ATOM 0 HB2 ALA A 134 10.420 -2.925 8.859 1.00 0.00 H new ATOM 0 HB3 ALA A 134 10.356 -3.247 7.110 1.00 0.00 H new ATOM 2067 N VAL A 135 8.620 -6.534 7.705 1.00 0.00 N ATOM 2068 CA VAL A 135 7.895 -7.442 6.824 1.00 0.00 C ATOM 2069 C VAL A 135 7.226 -6.676 5.688 1.00 0.00 C ATOM 2070 O VAL A 135 6.251 -5.956 5.901 1.00 0.00 O ATOM 2071 CB VAL A 135 6.823 -8.238 7.591 1.00 0.00 C ATOM 2072 CG1 VAL A 135 6.380 -9.450 6.787 1.00 0.00 C ATOM 2073 CG2 VAL A 135 7.342 -8.656 8.960 1.00 0.00 C ATOM 0 H VAL A 135 8.195 -6.409 8.624 1.00 0.00 H new ATOM 0 HA VAL A 135 8.626 -8.139 6.414 1.00 0.00 H new ATOM 0 HB VAL A 135 5.957 -7.593 7.739 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.622 -10.000 7.345 1.00 0.00 H new ATOM 0 HG12 VAL A 135 5.963 -9.122 5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 135 7.237 -10.098 6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.570 -9.217 9.486 1.00 0.00 H new ATOM 0 HG22 VAL A 135 8.226 -9.282 8.838 1.00 0.00 H new ATOM 0 HG23 VAL A 135 7.602 -7.769 9.537 1.00 0.00 H new ATOM 2083 N THR A 136 7.757 -6.833 4.480 1.00 0.00 N ATOM 2084 CA THR A 136 7.210 -6.151 3.313 1.00 0.00 C ATOM 2085 C THR A 136 6.829 -7.142 2.222 1.00 0.00 C ATOM 2086 O THR A 136 7.426 -8.211 2.097 1.00 0.00 O ATOM 2087 CB THR A 136 8.222 -5.143 2.763 1.00 0.00 C ATOM 2088 OG1 THR A 136 9.233 -5.803 2.022 1.00 0.00 O ATOM 2089 CG2 THR A 136 8.902 -4.326 3.838 1.00 0.00 C ATOM 0 H THR A 136 8.564 -7.425 4.284 1.00 0.00 H new ATOM 0 HA THR A 136 6.310 -5.624 3.629 1.00 0.00 H new ATOM 0 HB THR A 136 7.643 -4.469 2.132 1.00 0.00 H new ATOM 0 HG1 THR A 136 9.870 -5.143 1.677 1.00 0.00 H new ATOM 0 HG21 THR A 136 9.606 -3.633 3.378 1.00 0.00 H new ATOM 0 HG22 THR A 136 8.153 -3.765 4.397 1.00 0.00 H new ATOM 0 HG23 THR A 136 9.438 -4.991 4.516 1.00 0.00 H new ATOM 2097 N GLN A 137 5.833 -6.770 1.426 1.00 0.00 N ATOM 2098 CA GLN A 137 5.367 -7.610 0.330 1.00 0.00 C ATOM 2099 C GLN A 137 4.875 -6.746 -0.824 1.00 0.00 C ATOM 2100 O GLN A 137 3.930 -5.971 -0.672 1.00 0.00 O ATOM 2101 CB GLN A 137 4.248 -8.539 0.807 1.00 0.00 C ATOM 2102 CG GLN A 137 3.187 -7.835 1.638 1.00 0.00 C ATOM 2103 CD GLN A 137 3.459 -7.925 3.127 1.00 0.00 C ATOM 2104 OE1 GLN A 137 4.212 -7.125 3.681 1.00 0.00 O ATOM 2105 NE2 GLN A 137 2.844 -8.902 3.783 1.00 0.00 N ATOM 0 H GLN A 137 5.331 -5.887 1.520 1.00 0.00 H new ATOM 0 HA GLN A 137 6.201 -8.220 -0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 137 3.773 -8.998 -0.060 1.00 0.00 H new ATOM 0 HB3 GLN A 137 4.683 -9.346 1.396 1.00 0.00 H new ATOM 0 HG2 GLN A 137 3.137 -6.787 1.344 1.00 0.00 H new ATOM 0 HG3 GLN A 137 2.212 -8.273 1.423 1.00 0.00 H new ATOM 0 HE21 GLN A 137 2.228 -9.543 3.283 1.00 0.00 H new ATOM 0 HE22 GLN A 137 2.988 -9.012 4.787 1.00 0.00 H new ATOM 2114 N VAL A 138 5.524 -6.876 -1.974 1.00 0.00 N ATOM 2115 CA VAL A 138 5.155 -6.097 -3.149 1.00 0.00 C ATOM 2116 C VAL A 138 4.075 -6.798 -3.964 1.00 0.00 C ATOM 2117 O VAL A 138 4.329 -7.814 -4.611 1.00 0.00 O ATOM 2118 CB VAL A 138 6.374 -5.823 -4.048 1.00 0.00 C ATOM 2119 CG1 VAL A 138 6.016 -4.843 -5.154 1.00 0.00 C ATOM 2120 CG2 VAL A 138 7.538 -5.299 -3.220 1.00 0.00 C ATOM 0 H VAL A 138 6.308 -7.513 -2.118 1.00 0.00 H new ATOM 0 HA VAL A 138 4.764 -5.147 -2.785 1.00 0.00 H new ATOM 0 HB VAL A 138 6.678 -6.761 -4.512 1.00 0.00 H new ATOM 0 HG11 VAL A 138 6.891 -4.663 -5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 138 5.215 -5.260 -5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 138 5.685 -3.903 -4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 138 8.392 -5.110 -3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 138 7.246 -4.372 -2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 138 7.812 -6.039 -2.468 1.00 0.00 H new ATOM 2130 N ALA A 139 2.868 -6.245 -3.925 1.00 0.00 N ATOM 2131 CA ALA A 139 1.741 -6.809 -4.656 1.00 0.00 C ATOM 2132 C ALA A 139 1.897 -6.587 -6.157 1.00 0.00 C ATOM 2133 O ALA A 139 2.877 -5.993 -6.608 1.00 0.00 O ATOM 2134 CB ALA A 139 0.438 -6.199 -4.159 1.00 0.00 C ATOM 0 H ALA A 139 2.645 -5.404 -3.393 1.00 0.00 H new ATOM 0 HA ALA A 139 1.718 -7.884 -4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -0.398 -6.627 -4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 139 0.318 -6.412 -3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 139 0.460 -5.120 -4.312 1.00 0.00 H new ATOM 2140 N LYS A 140 0.926 -7.069 -6.926 1.00 0.00 N ATOM 2141 CA LYS A 140 0.957 -6.923 -8.377 1.00 0.00 C ATOM 2142 C LYS A 140 0.552 -5.511 -8.792 1.00 0.00 C ATOM 2143 O LYS A 140 -0.079 -4.785 -8.024 1.00 0.00 O ATOM 2144 CB LYS A 140 0.032 -7.950 -9.033 1.00 0.00 C ATOM 2145 CG LYS A 140 0.746 -8.878 -10.003 1.00 0.00 C ATOM 2146 CD LYS A 140 -0.234 -9.786 -10.731 1.00 0.00 C ATOM 2147 CE LYS A 140 -0.171 -11.211 -10.206 1.00 0.00 C ATOM 2148 NZ LYS A 140 1.224 -11.728 -10.164 1.00 0.00 N ATOM 0 H LYS A 140 0.109 -7.564 -6.569 1.00 0.00 H new ATOM 0 HA LYS A 140 1.978 -7.099 -8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -0.444 -8.547 -8.255 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -0.763 -7.425 -9.563 1.00 0.00 H new ATOM 0 HG2 LYS A 140 1.304 -8.287 -10.729 1.00 0.00 H new ATOM 0 HG3 LYS A 140 1.471 -9.485 -9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -1.246 -9.399 -10.614 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -0.012 -9.781 -11.798 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -0.602 -11.248 -9.205 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -0.779 -11.858 -10.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 1.220 -12.753 -10.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 1.792 -11.255 -10.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 1.637 -11.538 -9.229 1.00 0.00 H new ATOM 2162 N VAL A 141 0.920 -5.132 -10.010 1.00 0.00 N ATOM 2163 CA VAL A 141 0.596 -3.809 -10.531 1.00 0.00 C ATOM 2164 C VAL A 141 -0.623 -3.865 -11.446 1.00 0.00 C ATOM 2165 O VAL A 141 -0.767 -4.788 -12.248 1.00 0.00 O ATOM 2166 CB VAL A 141 1.785 -3.207 -11.308 1.00 0.00 C ATOM 2167 CG1 VAL A 141 1.477 -1.790 -11.760 1.00 0.00 C ATOM 2168 CG2 VAL A 141 3.043 -3.228 -10.455 1.00 0.00 C ATOM 0 H VAL A 141 1.444 -5.723 -10.656 1.00 0.00 H new ATOM 0 HA VAL A 141 0.374 -3.173 -9.674 1.00 0.00 H new ATOM 0 HB VAL A 141 1.954 -3.818 -12.195 1.00 0.00 H new ATOM 0 HG11 VAL A 141 2.331 -1.388 -12.305 1.00 0.00 H new ATOM 0 HG12 VAL A 141 0.602 -1.798 -12.410 1.00 0.00 H new ATOM 0 HG13 VAL A 141 1.276 -1.166 -10.889 1.00 0.00 H new ATOM 0 HG21 VAL A 141 3.872 -2.800 -11.019 1.00 0.00 H new ATOM 0 HG22 VAL A 141 2.879 -2.643 -9.550 1.00 0.00 H new ATOM 0 HG23 VAL A 141 3.282 -4.256 -10.184 1.00 0.00 H new ATOM 2178 N PHE A 142 -1.495 -2.870 -11.324 1.00 0.00 N ATOM 2179 CA PHE A 142 -2.700 -2.807 -12.146 1.00 0.00 C ATOM 2180 C PHE A 142 -2.564 -1.743 -13.226 1.00 0.00 C ATOM 2181 O PHE A 142 -3.088 -1.889 -14.329 1.00 0.00 O ATOM 2182 CB PHE A 142 -3.943 -2.493 -11.305 1.00 0.00 C ATOM 2183 CG PHE A 142 -3.658 -1.992 -9.923 1.00 0.00 C ATOM 2184 CD1 PHE A 142 -3.039 -2.802 -8.988 1.00 0.00 C ATOM 2185 CD2 PHE A 142 -4.027 -0.709 -9.559 1.00 0.00 C ATOM 2186 CE1 PHE A 142 -2.792 -2.341 -7.712 1.00 0.00 C ATOM 2187 CE2 PHE A 142 -3.782 -0.243 -8.285 1.00 0.00 C ATOM 2188 CZ PHE A 142 -3.165 -1.062 -7.359 1.00 0.00 C ATOM 0 H PHE A 142 -1.391 -2.098 -10.666 1.00 0.00 H new ATOM 0 HA PHE A 142 -2.819 -3.789 -12.605 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -4.540 -1.748 -11.830 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -4.551 -3.395 -11.231 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -2.746 -3.805 -9.260 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -4.511 -0.067 -10.280 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -2.307 -2.981 -6.990 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -4.072 0.761 -8.011 1.00 0.00 H new ATOM 0 HZ PHE A 142 -2.975 -0.700 -6.359 1.00 0.00 H new ATOM 2198 N ASP A 143 -1.879 -0.660 -12.882 1.00 0.00 N ATOM 2199 CA ASP A 143 -1.690 0.461 -13.794 1.00 0.00 C ATOM 2200 C ASP A 143 -0.475 0.279 -14.702 1.00 0.00 C ATOM 2201 O ASP A 143 0.089 1.257 -15.191 1.00 0.00 O ATOM 2202 CB ASP A 143 -1.554 1.752 -12.992 1.00 0.00 C ATOM 2203 CG ASP A 143 -2.871 2.181 -12.376 1.00 0.00 C ATOM 2204 OD1 ASP A 143 -3.717 1.301 -12.111 1.00 0.00 O ATOM 2205 OD2 ASP A 143 -3.057 3.395 -12.157 1.00 0.00 O ATOM 0 H ASP A 143 -1.441 -0.534 -11.969 1.00 0.00 H new ATOM 0 HA ASP A 143 -2.566 0.510 -14.441 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -0.814 1.613 -12.204 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -1.183 2.545 -13.642 1.00 0.00 H new ATOM 2210 N GLN A 144 -0.075 -0.966 -14.930 1.00 0.00 N ATOM 2211 CA GLN A 144 1.076 -1.242 -15.787 1.00 0.00 C ATOM 2212 C GLN A 144 0.717 -1.066 -17.263 1.00 0.00 C ATOM 2213 O GLN A 144 1.591 -0.812 -18.091 1.00 0.00 O ATOM 2214 CB GLN A 144 1.639 -2.654 -15.549 1.00 0.00 C ATOM 2215 CG GLN A 144 0.794 -3.532 -14.639 1.00 0.00 C ATOM 2216 CD GLN A 144 1.337 -4.941 -14.519 1.00 0.00 C ATOM 2217 OE1 GLN A 144 0.637 -5.915 -14.796 1.00 0.00 O ATOM 2218 NE2 GLN A 144 2.593 -5.058 -14.104 1.00 0.00 N ATOM 0 H GLN A 144 -0.524 -1.794 -14.539 1.00 0.00 H new ATOM 0 HA GLN A 144 1.849 -0.520 -15.523 1.00 0.00 H new ATOM 0 HB2 GLN A 144 1.749 -3.153 -16.512 1.00 0.00 H new ATOM 0 HB3 GLN A 144 2.637 -2.565 -15.120 1.00 0.00 H new ATOM 0 HG2 GLN A 144 0.745 -3.080 -13.648 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -0.225 -3.571 -15.023 1.00 0.00 H new ATOM 0 HE21 GLN A 144 3.138 -4.224 -13.885 1.00 0.00 H new ATOM 0 HE22 GLN A 144 3.013 -5.982 -14.004 1.00 0.00 H new ATOM 2227 N TYR A 145 -0.568 -1.198 -17.592 1.00 0.00 N ATOM 2228 CA TYR A 145 -1.017 -1.047 -18.969 1.00 0.00 C ATOM 2229 C TYR A 145 -1.958 0.156 -19.113 1.00 0.00 C ATOM 2230 O TYR A 145 -2.355 0.512 -20.223 1.00 0.00 O ATOM 2231 CB TYR A 145 -1.696 -2.346 -19.433 1.00 0.00 C ATOM 2232 CG TYR A 145 -2.792 -2.154 -20.456 1.00 0.00 C ATOM 2233 CD1 TYR A 145 -4.040 -1.697 -20.068 1.00 0.00 C ATOM 2234 CD2 TYR A 145 -2.578 -2.431 -21.799 1.00 0.00 C ATOM 2235 CE1 TYR A 145 -5.053 -1.518 -20.990 1.00 0.00 C ATOM 2236 CE2 TYR A 145 -3.584 -2.255 -22.730 1.00 0.00 C ATOM 2237 CZ TYR A 145 -4.819 -1.799 -22.320 1.00 0.00 C ATOM 2238 OH TYR A 145 -5.825 -1.623 -23.244 1.00 0.00 O ATOM 0 H TYR A 145 -1.310 -1.408 -16.925 1.00 0.00 H new ATOM 0 HA TYR A 145 -0.153 -0.857 -19.605 1.00 0.00 H new ATOM 0 HB2 TYR A 145 -0.937 -3.007 -19.853 1.00 0.00 H new ATOM 0 HB3 TYR A 145 -2.114 -2.852 -18.563 1.00 0.00 H new ATOM 0 HD1 TYR A 145 -4.225 -1.477 -19.027 1.00 0.00 H new ATOM 0 HD2 TYR A 145 -1.611 -2.789 -22.121 1.00 0.00 H new ATOM 0 HE1 TYR A 145 -6.021 -1.161 -20.672 1.00 0.00 H new ATOM 0 HE2 TYR A 145 -3.404 -2.473 -23.772 1.00 0.00 H new ATOM 0 HH TYR A 145 -5.497 -1.865 -24.135 1.00 0.00 H new ATOM 2248 N LEU A 146 -2.309 0.783 -17.989 1.00 0.00 N ATOM 2249 CA LEU A 146 -3.195 1.944 -18.008 1.00 0.00 C ATOM 2250 C LEU A 146 -2.773 2.976 -16.967 1.00 0.00 C ATOM 2251 O LEU A 146 -1.777 2.795 -16.266 1.00 0.00 O ATOM 2252 CB LEU A 146 -4.658 1.527 -17.779 1.00 0.00 C ATOM 2253 CG LEU A 146 -4.956 0.724 -16.501 1.00 0.00 C ATOM 2254 CD1 LEU A 146 -4.118 -0.540 -16.439 1.00 0.00 C ATOM 2255 CD2 LEU A 146 -4.740 1.571 -15.255 1.00 0.00 C ATOM 0 H LEU A 146 -1.994 0.507 -17.059 1.00 0.00 H new ATOM 0 HA LEU A 146 -3.116 2.399 -18.995 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.270 2.429 -17.765 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -4.981 0.935 -18.636 1.00 0.00 H new ATOM 0 HG LEU A 146 -6.006 0.433 -16.535 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -4.351 -1.086 -15.525 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -4.340 -1.167 -17.303 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -3.060 -0.276 -16.445 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -4.959 0.976 -14.368 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -3.704 1.908 -15.219 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -5.402 2.436 -15.284 1.00 0.00 H new ATOM 2267 N ASN A 147 -3.537 4.060 -16.873 1.00 0.00 N ATOM 2268 CA ASN A 147 -3.246 5.127 -15.919 1.00 0.00 C ATOM 2269 C ASN A 147 -1.831 5.666 -16.115 1.00 0.00 C ATOM 2270 O ASN A 147 -1.688 6.735 -16.745 1.00 0.00 O ATOM 2271 CB ASN A 147 -3.419 4.626 -14.484 1.00 0.00 C ATOM 2272 CG ASN A 147 -3.949 5.702 -13.558 1.00 0.00 C ATOM 2273 OD1 ASN A 147 -4.898 5.334 -12.705 1.00 0.00 O flip ATOM 2274 ND2 ASN A 147 -3.511 6.851 -13.607 1.00 0.00 N flip ATOM 2275 OXT ASN A 147 -0.880 5.016 -15.634 1.00 0.00 O ATOM 0 H ASN A 147 -4.364 4.224 -17.447 1.00 0.00 H new ATOM 0 HA ASN A 147 -3.952 5.937 -16.099 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -4.102 3.776 -14.478 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -2.461 4.267 -14.109 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -2.781 7.090 -14.278 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -3.878 7.564 -12.976 1.00 0.00 H new