USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 756 hydrogens (18 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 36 GLN : amide:sc= -1.44 K(o=-14,f=-16!) USER MOD Set 1.2: A 48 ASN : amide:sc= -12.7! C(o=-14!,f=-16!) USER MOD Single : A 1 ALA N :NH3+ -126:sc= 0.128 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -52:sc= -0.0162! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 17:sc= 0.346 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -80:sc= -3.27! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN :FLIP amide:sc= -12.3! C(o=-15!,f=-12!) USER MOD Single : A 30 THR OG1 : rot 103:sc= 0.647 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.115 USER MOD Single : A 42 THR OG1 : rot -63:sc= 0.0745 USER MOD Single : A 53 SER OG : rot -120:sc= -0.0455 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 29:sc= -3.56! USER MOD Single : A 60 ASN : amide:sc= -0.147 K(o=-0.15,f=-2.1!) USER MOD Single : A 62 SER OG : rot 17:sc= 0.266 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 72 SER OG : rot 25:sc= 0.162 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 38:sc= -6.45! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.308 K(o=-0.31,f=-1.5!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc=-0.00108 K(o=-0.0011,f=-0.6) USER MOD Single : A 111 SER OG : rot -97:sc= -0.0739 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 NCZ O2 : rot 178:sc= 0.927 USER MOD Single : A 130 NCZ O5 : rot 130:sc= -1.34 USER MOD Single : A 130 NCZ O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.091 -8.799 13.034 1.00 0.00 N ATOM 2 CA ALA A 1 -11.675 -7.429 12.797 1.00 0.00 C ATOM 3 C ALA A 1 -11.666 -7.157 11.291 1.00 0.00 C ATOM 4 O ALA A 1 -11.837 -8.073 10.490 1.00 0.00 O ATOM 5 CB ALA A 1 -10.306 -7.192 13.438 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.893 -8.809 13.697 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.380 -9.235 12.135 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.299 -9.337 13.441 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.376 -6.731 13.256 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.994 -6.163 13.260 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.371 -7.371 14.511 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.576 -7.873 13.000 1.00 0.00 H new ATOM 11 N ALA A 2 -11.463 -5.892 10.950 1.00 0.00 N ATOM 12 CA ALA A 2 -11.433 -5.488 9.555 1.00 0.00 C ATOM 13 C ALA A 2 -11.386 -3.961 9.472 1.00 0.00 C ATOM 14 O ALA A 2 -12.334 -3.333 9.001 1.00 0.00 O ATOM 15 CB ALA A 2 -12.641 -6.077 8.825 1.00 0.00 C ATOM 0 H ALA A 2 -11.318 -5.134 11.617 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.539 -5.872 9.063 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.617 -5.773 7.778 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.609 -7.165 8.888 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.559 -5.713 9.288 1.00 0.00 H new ATOM 21 N PRO A 3 -10.247 -3.392 9.949 1.00 0.00 N ATOM 22 CA PRO A 3 -10.066 -1.951 9.934 1.00 0.00 C ATOM 23 C PRO A 3 -9.764 -1.453 8.519 1.00 0.00 C ATOM 24 O PRO A 3 -8.670 -1.672 7.999 1.00 0.00 O ATOM 25 CB PRO A 3 -8.933 -1.686 10.912 1.00 0.00 C ATOM 26 CG PRO A 3 -8.216 -3.015 11.087 1.00 0.00 C ATOM 27 CD PRO A 3 -9.106 -4.104 10.516 1.00 0.00 C ATOM 0 HA PRO A 3 -10.964 -1.410 10.232 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.255 -0.924 10.528 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.316 -1.320 11.865 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.254 -3.000 10.574 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.012 -3.203 12.141 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.583 -4.684 9.755 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -9.421 -4.804 11.290 1.00 0.00 H new ATOM 35 N THR A 4 -10.751 -0.789 7.935 1.00 0.00 N ATOM 36 CA THR A 4 -10.602 -0.258 6.591 1.00 0.00 C ATOM 37 C THR A 4 -9.993 -1.311 5.664 1.00 0.00 C ATOM 38 O THR A 4 -10.238 -2.506 5.830 1.00 0.00 O ATOM 39 CB THR A 4 -9.776 1.027 6.679 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.427 0.577 6.606 1.00 0.00 O ATOM 41 CG2 THR A 4 -9.873 1.694 8.053 1.00 0.00 C ATOM 0 H THR A 4 -11.656 -0.607 8.368 1.00 0.00 H new ATOM 0 HA THR A 4 -11.570 -0.010 6.155 1.00 0.00 H new ATOM 0 HB THR A 4 -10.110 1.726 5.913 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.281 -0.127 7.272 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.268 2.601 8.061 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.912 1.949 8.261 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.508 1.008 8.817 1.00 0.00 H new ATOM 49 N ALA A 5 -9.210 -0.831 4.709 1.00 0.00 N ATOM 50 CA ALA A 5 -8.565 -1.716 3.756 1.00 0.00 C ATOM 51 C ALA A 5 -7.344 -2.365 4.416 1.00 0.00 C ATOM 52 O ALA A 5 -6.448 -1.670 4.889 1.00 0.00 O ATOM 53 CB ALA A 5 -8.195 -0.930 2.496 1.00 0.00 C ATOM 0 H ALA A 5 -9.008 0.160 4.575 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.243 -2.514 3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.711 -1.595 1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.097 -0.513 2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.513 -0.121 2.759 1.00 0.00 H new ATOM 59 N THR A 6 -7.352 -3.689 4.426 1.00 0.00 N ATOM 60 CA THR A 6 -6.258 -4.441 5.020 1.00 0.00 C ATOM 61 C THR A 6 -5.954 -5.690 4.187 1.00 0.00 C ATOM 62 O THR A 6 -6.867 -6.321 3.657 1.00 0.00 O ATOM 63 CB THR A 6 -6.631 -4.752 6.470 1.00 0.00 C ATOM 64 OG1 THR A 6 -8.046 -4.918 6.436 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.417 -3.554 7.397 1.00 0.00 C ATOM 0 H THR A 6 -8.099 -4.262 4.032 1.00 0.00 H new ATOM 0 HA THR A 6 -5.335 -3.861 5.025 1.00 0.00 H new ATOM 0 HB THR A 6 -6.040 -5.596 6.825 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.373 -5.124 7.337 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.696 -3.827 8.415 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.368 -3.260 7.375 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.034 -2.720 7.062 1.00 0.00 H new ATOM 73 N VAL A 7 -4.672 -6.006 4.103 1.00 0.00 N ATOM 74 CA VAL A 7 -4.237 -7.168 3.343 1.00 0.00 C ATOM 75 C VAL A 7 -4.373 -8.419 4.216 1.00 0.00 C ATOM 76 O VAL A 7 -4.046 -8.393 5.401 1.00 0.00 O ATOM 77 CB VAL A 7 -2.815 -6.952 2.826 1.00 0.00 C ATOM 78 CG1 VAL A 7 -2.577 -7.737 1.534 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.523 -5.465 2.625 1.00 0.00 C ATOM 0 H VAL A 7 -3.920 -5.480 4.547 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.868 -7.311 2.466 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.124 -7.329 3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.558 -7.566 1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.723 -8.801 1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.281 -7.404 0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.505 -5.341 2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.224 -5.051 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.632 -4.941 3.575 1.00 0.00 H new ATOM 89 N THR A 8 -4.856 -9.484 3.593 1.00 0.00 N ATOM 90 CA THR A 8 -5.039 -10.741 4.297 1.00 0.00 C ATOM 91 C THR A 8 -3.886 -10.980 5.274 1.00 0.00 C ATOM 92 O THR A 8 -4.112 -11.254 6.452 1.00 0.00 O ATOM 93 CB THR A 8 -5.188 -11.851 3.252 1.00 0.00 C ATOM 94 OG1 THR A 8 -6.577 -12.173 3.285 1.00 0.00 O ATOM 95 CG2 THR A 8 -4.495 -13.148 3.672 1.00 0.00 C ATOM 0 H THR A 8 -5.126 -9.502 2.609 1.00 0.00 H new ATOM 0 HA THR A 8 -5.942 -10.723 4.907 1.00 0.00 H new ATOM 0 HB THR A 8 -4.777 -11.512 2.301 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.764 -12.884 2.636 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.631 -13.901 2.896 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.430 -12.962 3.814 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.929 -13.506 4.606 1.00 0.00 H new ATOM 103 N PRO A 9 -2.643 -10.863 4.736 1.00 0.00 N ATOM 104 CA PRO A 9 -1.455 -11.062 5.546 1.00 0.00 C ATOM 105 C PRO A 9 -1.208 -9.861 6.462 1.00 0.00 C ATOM 106 O PRO A 9 -2.025 -8.943 6.520 1.00 0.00 O ATOM 107 CB PRO A 9 -0.331 -11.288 4.549 1.00 0.00 C ATOM 108 CG PRO A 9 -0.837 -10.749 3.221 1.00 0.00 C ATOM 109 CD PRO A 9 -2.338 -10.540 3.345 1.00 0.00 C ATOM 0 HA PRO A 9 -1.546 -11.912 6.223 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.577 -10.771 4.860 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.084 -12.347 4.472 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.340 -9.811 2.975 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.614 -11.448 2.415 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.616 -9.513 3.107 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.886 -11.186 2.659 1.00 0.00 H new ATOM 117 N SER A 10 -0.079 -9.907 7.153 1.00 0.00 N ATOM 118 CA SER A 10 0.285 -8.834 8.063 1.00 0.00 C ATOM 119 C SER A 10 1.808 -8.754 8.194 1.00 0.00 C ATOM 120 O SER A 10 2.374 -7.661 8.233 1.00 0.00 O ATOM 121 CB SER A 10 -0.356 -9.036 9.438 1.00 0.00 C ATOM 122 OG SER A 10 -1.723 -8.634 9.453 1.00 0.00 O ATOM 0 H SER A 10 0.596 -10.670 7.101 1.00 0.00 H new ATOM 0 HA SER A 10 -0.088 -7.896 7.653 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.284 -10.086 9.721 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.198 -8.466 10.184 1.00 0.00 H new ATOM 0 HG SER A 10 -2.052 -8.559 8.533 1.00 0.00 H new ATOM 128 N SER A 11 2.426 -9.924 8.260 1.00 0.00 N ATOM 129 CA SER A 11 3.872 -9.997 8.387 1.00 0.00 C ATOM 130 C SER A 11 4.401 -11.224 7.639 1.00 0.00 C ATOM 131 O SER A 11 3.621 -12.053 7.172 1.00 0.00 O ATOM 132 CB SER A 11 4.294 -10.051 9.855 1.00 0.00 C ATOM 133 OG SER A 11 4.087 -11.339 10.426 1.00 0.00 O ATOM 0 H SER A 11 1.953 -10.827 8.228 1.00 0.00 H new ATOM 0 HA SER A 11 4.300 -9.096 7.946 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.347 -9.783 9.939 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.730 -9.309 10.421 1.00 0.00 H new ATOM 0 HG SER A 11 4.371 -11.331 11.364 1.00 0.00 H new ATOM 139 N GLY A 12 5.719 -11.299 7.547 1.00 0.00 N ATOM 140 CA GLY A 12 6.361 -12.410 6.864 1.00 0.00 C ATOM 141 C GLY A 12 5.925 -12.475 5.400 1.00 0.00 C ATOM 142 O GLY A 12 5.927 -13.548 4.795 1.00 0.00 O ATOM 0 H GLY A 12 6.362 -10.608 7.934 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.444 -12.300 6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.109 -13.345 7.365 1.00 0.00 H new ATOM 146 N LEU A 13 5.565 -11.316 4.869 1.00 0.00 N ATOM 147 CA LEU A 13 5.130 -11.228 3.485 1.00 0.00 C ATOM 148 C LEU A 13 6.088 -12.031 2.602 1.00 0.00 C ATOM 149 O LEU A 13 7.120 -12.505 3.071 1.00 0.00 O ATOM 150 CB LEU A 13 4.981 -9.765 3.061 1.00 0.00 C ATOM 151 CG LEU A 13 6.239 -8.902 3.175 1.00 0.00 C ATOM 152 CD1 LEU A 13 7.470 -9.657 2.669 1.00 0.00 C ATOM 153 CD2 LEU A 13 6.054 -7.563 2.461 1.00 0.00 C ATOM 0 H LEU A 13 5.566 -10.429 5.373 1.00 0.00 H new ATOM 0 HA LEU A 13 4.141 -11.671 3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.640 -9.740 2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.196 -9.310 3.666 1.00 0.00 H new ATOM 0 HG LEU A 13 6.407 -8.682 4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.350 -9.021 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.612 -10.561 3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.326 -9.928 1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.963 -6.970 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.847 -7.739 1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.220 -7.024 2.910 1.00 0.00 H new ATOM 165 N SER A 14 5.711 -12.156 1.337 1.00 0.00 N ATOM 166 CA SER A 14 6.522 -12.892 0.385 1.00 0.00 C ATOM 167 C SER A 14 6.680 -12.084 -0.906 1.00 0.00 C ATOM 168 O SER A 14 5.793 -11.311 -1.269 1.00 0.00 O ATOM 169 CB SER A 14 5.912 -14.263 0.080 1.00 0.00 C ATOM 170 OG SER A 14 6.884 -15.302 0.125 1.00 0.00 O ATOM 0 H SER A 14 4.854 -11.759 0.951 1.00 0.00 H new ATOM 0 HA SER A 14 7.504 -13.053 0.829 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.121 -14.476 0.799 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.449 -14.242 -0.907 1.00 0.00 H new ATOM 0 HG SER A 14 6.455 -16.160 -0.073 1.00 0.00 H new ATOM 176 N ASP A 15 7.813 -12.287 -1.560 1.00 0.00 N ATOM 177 CA ASP A 15 8.096 -11.586 -2.800 1.00 0.00 C ATOM 178 C ASP A 15 6.812 -11.472 -3.624 1.00 0.00 C ATOM 179 O ASP A 15 6.480 -12.375 -4.388 1.00 0.00 O ATOM 180 CB ASP A 15 9.129 -12.343 -3.638 1.00 0.00 C ATOM 181 CG ASP A 15 8.807 -13.820 -3.881 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.522 -14.152 -5.052 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.850 -14.581 -2.890 1.00 0.00 O ATOM 0 H ASP A 15 8.546 -12.927 -1.255 1.00 0.00 H new ATOM 0 HA ASP A 15 8.488 -10.601 -2.547 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.228 -11.845 -4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.098 -12.274 -3.143 1.00 0.00 H new ATOM 189 N GLY A 16 6.124 -10.357 -3.438 1.00 0.00 N ATOM 190 CA GLY A 16 4.883 -10.114 -4.151 1.00 0.00 C ATOM 191 C GLY A 16 3.807 -11.118 -3.738 1.00 0.00 C ATOM 192 O GLY A 16 3.353 -11.921 -4.552 1.00 0.00 O ATOM 0 H GLY A 16 6.403 -9.610 -2.802 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.536 -9.101 -3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.057 -10.183 -5.225 1.00 0.00 H new ATOM 196 N THR A 17 3.428 -11.042 -2.470 1.00 0.00 N ATOM 197 CA THR A 17 2.411 -11.934 -1.938 1.00 0.00 C ATOM 198 C THR A 17 1.018 -11.480 -2.376 1.00 0.00 C ATOM 199 O THR A 17 0.516 -10.461 -1.902 1.00 0.00 O ATOM 200 CB THR A 17 2.583 -11.992 -0.419 1.00 0.00 C ATOM 201 OG1 THR A 17 3.742 -12.799 -0.230 1.00 0.00 O ATOM 202 CG2 THR A 17 1.465 -12.781 0.267 1.00 0.00 C ATOM 0 H THR A 17 3.807 -10.377 -1.796 1.00 0.00 H new ATOM 0 HA THR A 17 2.525 -12.944 -2.332 1.00 0.00 H new ATOM 0 HB THR A 17 2.612 -10.978 -0.019 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.499 -13.745 -0.313 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.635 -12.792 1.344 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.505 -12.310 0.056 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.458 -13.804 -0.109 1.00 0.00 H new ATOM 210 N VAL A 18 0.432 -12.256 -3.276 1.00 0.00 N ATOM 211 CA VAL A 18 -0.892 -11.946 -3.782 1.00 0.00 C ATOM 212 C VAL A 18 -1.938 -12.306 -2.724 1.00 0.00 C ATOM 213 O VAL A 18 -2.042 -13.464 -2.322 1.00 0.00 O ATOM 214 CB VAL A 18 -1.124 -12.659 -5.118 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.162 -11.917 -5.962 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.190 -12.825 -5.884 1.00 0.00 C ATOM 0 H VAL A 18 0.851 -13.099 -3.667 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.983 -10.878 -3.978 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.516 -13.654 -4.905 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.308 -12.444 -6.905 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.107 -11.873 -5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.811 -10.905 -6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.001 -13.334 -6.829 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.623 -11.844 -6.081 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.886 -13.415 -5.288 1.00 0.00 H new ATOM 226 N VAL A 19 -2.683 -11.294 -2.304 1.00 0.00 N ATOM 227 CA VAL A 19 -3.714 -11.492 -1.300 1.00 0.00 C ATOM 228 C VAL A 19 -4.893 -10.567 -1.602 1.00 0.00 C ATOM 229 O VAL A 19 -4.879 -9.834 -2.590 1.00 0.00 O ATOM 230 CB VAL A 19 -3.130 -11.278 0.099 1.00 0.00 C ATOM 231 CG1 VAL A 19 -2.796 -12.617 0.761 1.00 0.00 C ATOM 232 CG2 VAL A 19 -1.901 -10.371 0.046 1.00 0.00 C ATOM 0 H VAL A 19 -2.593 -10.335 -2.641 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.086 -12.516 -1.329 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.886 -10.781 0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.383 -12.439 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.702 -13.216 0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.065 -13.151 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.505 -10.235 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.139 -10.828 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.181 -9.402 -0.368 1.00 0.00 H new ATOM 242 N LYS A 20 -5.891 -10.630 -0.732 1.00 0.00 N ATOM 243 CA LYS A 20 -7.080 -9.807 -0.892 1.00 0.00 C ATOM 244 C LYS A 20 -7.074 -8.700 0.163 1.00 0.00 C ATOM 245 O LYS A 20 -6.739 -8.942 1.322 1.00 0.00 O ATOM 246 CB LYS A 20 -8.339 -10.675 -0.868 1.00 0.00 C ATOM 247 CG LYS A 20 -8.659 -11.137 0.556 1.00 0.00 C ATOM 248 CD LYS A 20 -9.965 -11.930 0.595 1.00 0.00 C ATOM 249 CE LYS A 20 -10.343 -12.294 2.033 1.00 0.00 C ATOM 250 NZ LYS A 20 -10.957 -13.640 2.081 1.00 0.00 N ATOM 0 H LYS A 20 -5.901 -11.238 0.087 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.078 -9.318 -1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.181 -10.112 -1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.199 -11.543 -1.513 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.844 -11.754 0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.735 -10.272 1.214 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.764 -11.343 0.142 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.861 -12.838 0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.456 -12.269 2.666 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.039 -11.556 2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.208 -13.872 3.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.815 -13.652 1.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.281 -14.343 1.721 1.00 0.00 H new ATOM 264 N VAL A 21 -7.449 -7.507 -0.273 1.00 0.00 N ATOM 265 CA VAL A 21 -7.491 -6.361 0.618 1.00 0.00 C ATOM 266 C VAL A 21 -8.946 -5.934 0.824 1.00 0.00 C ATOM 267 O VAL A 21 -9.524 -5.257 -0.024 1.00 0.00 O ATOM 268 CB VAL A 21 -6.609 -5.236 0.071 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.212 -4.262 1.180 1.00 0.00 C ATOM 270 CG2 VAL A 21 -5.374 -5.803 -0.633 1.00 0.00 C ATOM 0 H VAL A 21 -7.727 -7.309 -1.234 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.087 -6.624 1.596 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.190 -4.682 -0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.586 -3.473 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.109 -3.822 1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.658 -4.796 1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.764 -4.984 -1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.791 -6.393 0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.687 -6.437 -1.463 1.00 0.00 H new ATOM 280 N ALA A 22 -9.496 -6.347 1.956 1.00 0.00 N ATOM 281 CA ALA A 22 -10.873 -6.014 2.284 1.00 0.00 C ATOM 282 C ALA A 22 -10.907 -4.673 3.017 1.00 0.00 C ATOM 283 O ALA A 22 -10.140 -4.452 3.952 1.00 0.00 O ATOM 284 CB ALA A 22 -11.488 -7.146 3.109 1.00 0.00 C ATOM 0 H ALA A 22 -9.014 -6.909 2.658 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.470 -5.909 1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.520 -6.897 3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.465 -8.071 2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.917 -7.278 4.028 1.00 0.00 H new ATOM 290 N GLY A 23 -11.807 -3.811 2.565 1.00 0.00 N ATOM 291 CA GLY A 23 -11.953 -2.498 3.166 1.00 0.00 C ATOM 292 C GLY A 23 -13.295 -2.372 3.892 1.00 0.00 C ATOM 293 O GLY A 23 -14.345 -2.310 3.256 1.00 0.00 O ATOM 0 H GLY A 23 -12.442 -3.998 1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.138 -2.323 3.868 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.879 -1.731 2.395 1.00 0.00 H new ATOM 297 N ALA A 24 -13.215 -2.339 5.214 1.00 0.00 N ATOM 298 CA ALA A 24 -14.408 -2.221 6.033 1.00 0.00 C ATOM 299 C ALA A 24 -14.569 -0.769 6.487 1.00 0.00 C ATOM 300 O ALA A 24 -13.807 -0.289 7.325 1.00 0.00 O ATOM 301 CB ALA A 24 -14.319 -3.195 7.210 1.00 0.00 C ATOM 0 H ALA A 24 -12.342 -2.392 5.738 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.295 -2.486 5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.215 -3.106 7.824 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.237 -4.215 6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.441 -2.959 7.812 1.00 0.00 H new ATOM 307 N GLY A 25 -15.568 -0.110 5.917 1.00 0.00 N ATOM 308 CA GLY A 25 -15.840 1.277 6.252 1.00 0.00 C ATOM 309 C GLY A 25 -14.789 2.206 5.639 1.00 0.00 C ATOM 310 O GLY A 25 -14.398 3.198 6.252 1.00 0.00 O ATOM 0 H GLY A 25 -16.199 -0.512 5.224 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.830 1.554 5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.850 1.398 7.335 1.00 0.00 H new ATOM 314 N LEU A 26 -14.362 1.850 4.435 1.00 0.00 N ATOM 315 CA LEU A 26 -13.366 2.638 3.732 1.00 0.00 C ATOM 316 C LEU A 26 -14.054 3.802 3.014 1.00 0.00 C ATOM 317 O LEU A 26 -14.762 4.590 3.638 1.00 0.00 O ATOM 318 CB LEU A 26 -12.534 1.748 2.806 1.00 0.00 C ATOM 319 CG LEU A 26 -11.072 2.156 2.618 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.435 1.397 1.453 1.00 0.00 C ATOM 321 CD2 LEU A 26 -10.943 3.672 2.451 1.00 0.00 C ATOM 0 H LEU A 26 -14.689 1.026 3.930 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.658 3.073 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.559 0.730 3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.013 1.728 1.827 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.524 1.882 3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.396 1.707 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.475 0.326 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.979 1.617 0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.894 3.936 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.510 3.991 1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.333 4.170 3.338 1.00 0.00 H new ATOM 333 N GLN A 27 -13.823 3.868 1.710 1.00 0.00 N ATOM 334 CA GLN A 27 -14.414 4.921 0.901 1.00 0.00 C ATOM 335 C GLN A 27 -15.862 5.170 1.326 1.00 0.00 C ATOM 336 O GLN A 27 -16.403 6.252 1.102 1.00 0.00 O ATOM 337 CB GLN A 27 -14.332 4.578 -0.590 1.00 0.00 C ATOM 338 CG GLN A 27 -12.876 4.530 -1.061 1.00 0.00 C ATOM 339 CD GLN A 27 -12.201 5.893 -0.892 1.00 0.00 C ATOM 340 OE1 GLN A 27 -12.314 6.686 -1.953 1.00 0.00 O flip ATOM 341 NE2 GLN A 27 -11.616 6.201 0.133 1.00 0.00 N flip ATOM 0 H GLN A 27 -13.236 3.211 1.195 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.846 5.837 1.063 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.809 3.615 -0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.881 5.321 -1.169 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.331 3.777 -0.492 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.838 4.228 -2.108 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.568 5.542 0.910 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.175 7.117 0.213 1.00 0.00 H new ATOM 350 N ALA A 28 -16.453 4.149 1.932 1.00 0.00 N ATOM 351 CA ALA A 28 -17.827 4.242 2.392 1.00 0.00 C ATOM 352 C ALA A 28 -18.758 4.348 1.182 1.00 0.00 C ATOM 353 O ALA A 28 -19.951 4.608 1.333 1.00 0.00 O ATOM 354 CB ALA A 28 -17.967 5.436 3.340 1.00 0.00 C ATOM 0 H ALA A 28 -16.003 3.252 2.115 1.00 0.00 H new ATOM 0 HA ALA A 28 -18.108 3.348 2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -18.998 5.507 3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.306 5.301 4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.697 6.352 2.814 1.00 0.00 H new ATOM 360 N GLY A 29 -18.177 4.140 0.010 1.00 0.00 N ATOM 361 CA GLY A 29 -18.940 4.206 -1.226 1.00 0.00 C ATOM 362 C GLY A 29 -18.168 4.965 -2.306 1.00 0.00 C ATOM 363 O GLY A 29 -18.551 4.951 -3.474 1.00 0.00 O ATOM 0 H GLY A 29 -17.187 3.926 -0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.163 3.198 -1.574 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.895 4.698 -1.042 1.00 0.00 H new ATOM 367 N THR A 30 -17.094 5.610 -1.877 1.00 0.00 N ATOM 368 CA THR A 30 -16.264 6.375 -2.794 1.00 0.00 C ATOM 369 C THR A 30 -15.319 5.444 -3.557 1.00 0.00 C ATOM 370 O THR A 30 -15.476 4.225 -3.522 1.00 0.00 O ATOM 371 CB THR A 30 -15.535 7.453 -1.988 1.00 0.00 C ATOM 372 OG1 THR A 30 -16.324 7.595 -0.810 1.00 0.00 O ATOM 373 CG2 THR A 30 -15.605 8.828 -2.652 1.00 0.00 C ATOM 0 H THR A 30 -16.779 5.619 -0.907 1.00 0.00 H new ATOM 0 HA THR A 30 -16.868 6.871 -3.554 1.00 0.00 H new ATOM 0 HB THR A 30 -14.491 7.167 -1.858 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.885 7.134 -0.065 1.00 0.00 H new ATOM 0 HG21 THR A 30 -15.072 9.555 -2.039 1.00 0.00 H new ATOM 0 HG22 THR A 30 -15.145 8.779 -3.639 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.647 9.131 -2.752 1.00 0.00 H new ATOM 381 N ALA A 31 -14.357 6.056 -4.232 1.00 0.00 N ATOM 382 CA ALA A 31 -13.385 5.300 -5.004 1.00 0.00 C ATOM 383 C ALA A 31 -12.022 5.988 -4.918 1.00 0.00 C ATOM 384 O ALA A 31 -11.944 7.216 -4.884 1.00 0.00 O ATOM 385 CB ALA A 31 -13.876 5.158 -6.446 1.00 0.00 C ATOM 0 H ALA A 31 -14.230 7.068 -4.260 1.00 0.00 H new ATOM 0 HA ALA A 31 -13.272 4.295 -4.597 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.147 4.591 -7.025 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.832 4.635 -6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.999 6.147 -6.887 1.00 0.00 H new ATOM 391 N TYR A 32 -10.981 5.169 -4.886 1.00 0.00 N ATOM 392 CA TYR A 32 -9.625 5.685 -4.804 1.00 0.00 C ATOM 393 C TYR A 32 -8.637 4.736 -5.486 1.00 0.00 C ATOM 394 O TYR A 32 -9.040 3.828 -6.210 1.00 0.00 O ATOM 395 CB TYR A 32 -9.293 5.763 -3.312 1.00 0.00 C ATOM 396 CG TYR A 32 -9.723 7.072 -2.647 1.00 0.00 C ATOM 397 CD1 TYR A 32 -10.051 8.165 -3.423 1.00 0.00 C ATOM 398 CD2 TYR A 32 -9.780 7.160 -1.271 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.456 9.397 -2.796 1.00 0.00 C ATOM 400 CE2 TYR A 32 -10.185 8.392 -0.646 1.00 0.00 C ATOM 401 CZ TYR A 32 -10.503 9.450 -1.439 1.00 0.00 C ATOM 402 OH TYR A 32 -10.885 10.613 -0.848 1.00 0.00 O ATOM 0 H TYR A 32 -11.049 4.152 -4.915 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.551 6.653 -5.299 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.775 4.931 -2.799 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.218 5.637 -3.182 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.004 8.097 -4.500 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -9.521 6.305 -0.664 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.717 10.260 -3.391 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -10.235 8.474 0.430 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.873 10.504 0.126 1.00 0.00 H new ATOM 412 N ASP A 33 -7.360 4.981 -5.232 1.00 0.00 N ATOM 413 CA ASP A 33 -6.310 4.162 -5.811 1.00 0.00 C ATOM 414 C ASP A 33 -5.595 3.393 -4.698 1.00 0.00 C ATOM 415 O ASP A 33 -5.155 3.986 -3.714 1.00 0.00 O ATOM 416 CB ASP A 33 -5.272 5.024 -6.533 1.00 0.00 C ATOM 417 CG ASP A 33 -5.327 4.961 -8.059 1.00 0.00 C ATOM 418 OD1 ASP A 33 -4.259 5.161 -8.675 1.00 0.00 O ATOM 419 OD2 ASP A 33 -6.439 4.716 -8.577 1.00 0.00 O ATOM 0 H ASP A 33 -7.029 5.736 -4.632 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.771 3.480 -6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.404 6.061 -6.222 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.278 4.717 -6.208 1.00 0.00 H new ATOM 425 N VAL A 34 -5.502 2.084 -4.889 1.00 0.00 N ATOM 426 CA VAL A 34 -4.848 1.231 -3.914 1.00 0.00 C ATOM 427 C VAL A 34 -3.359 1.131 -4.246 1.00 0.00 C ATOM 428 O VAL A 34 -2.971 1.233 -5.411 1.00 0.00 O ATOM 429 CB VAL A 34 -5.542 -0.132 -3.864 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.522 -1.271 -3.934 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.417 -0.258 -2.615 1.00 0.00 C ATOM 0 H VAL A 34 -5.869 1.595 -5.705 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.929 1.660 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.190 -0.208 -4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.042 -2.228 -3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.960 -1.200 -4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.836 -1.198 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.898 -1.236 -2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.798 -0.149 -1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.179 0.521 -2.625 1.00 0.00 H new ATOM 441 N GLY A 35 -2.563 0.931 -3.205 1.00 0.00 N ATOM 442 CA GLY A 35 -1.125 0.817 -3.372 1.00 0.00 C ATOM 443 C GLY A 35 -0.410 0.868 -2.022 1.00 0.00 C ATOM 444 O GLY A 35 -0.909 1.474 -1.074 1.00 0.00 O ATOM 0 H GLY A 35 -2.888 0.845 -2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.887 -0.119 -3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.764 1.625 -4.009 1.00 0.00 H new ATOM 448 N GLN A 36 0.748 0.226 -1.974 1.00 0.00 N ATOM 449 CA GLN A 36 1.535 0.191 -0.755 1.00 0.00 C ATOM 450 C GLN A 36 2.559 1.328 -0.753 1.00 0.00 C ATOM 451 O GLN A 36 3.570 1.262 -1.451 1.00 0.00 O ATOM 452 CB GLN A 36 2.224 -1.164 -0.584 1.00 0.00 C ATOM 453 CG GLN A 36 1.444 -2.268 -1.304 1.00 0.00 C ATOM 454 CD GLN A 36 2.341 -3.012 -2.294 1.00 0.00 C ATOM 455 OE1 GLN A 36 2.425 -4.231 -2.302 1.00 0.00 O ATOM 456 NE2 GLN A 36 3.004 -2.218 -3.130 1.00 0.00 N ATOM 0 H GLN A 36 1.160 -0.275 -2.762 1.00 0.00 H new ATOM 0 HA GLN A 36 0.862 0.329 0.092 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.239 -1.113 -0.979 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.306 -1.403 0.476 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.041 -2.970 -0.574 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.595 -1.834 -1.832 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.890 -1.206 -3.071 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.627 -2.621 -3.830 1.00 0.00 H new ATOM 465 N CYS A 37 2.263 2.348 0.041 1.00 0.00 N ATOM 466 CA CYS A 37 3.144 3.499 0.143 1.00 0.00 C ATOM 467 C CYS A 37 3.843 3.449 1.504 1.00 0.00 C ATOM 468 O CYS A 37 3.304 2.897 2.463 1.00 0.00 O ATOM 469 CB CYS A 37 2.385 4.813 -0.061 1.00 0.00 C ATOM 470 SG CYS A 37 3.378 6.165 -0.789 1.00 0.00 S ATOM 0 H CYS A 37 1.425 2.401 0.620 1.00 0.00 H new ATOM 0 HA CYS A 37 3.891 3.460 -0.650 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.526 4.624 -0.705 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.995 5.145 0.901 1.00 0.00 H new ATOM 475 N ALA A 38 5.033 4.031 1.544 1.00 0.00 N ATOM 476 CA ALA A 38 5.811 4.060 2.770 1.00 0.00 C ATOM 477 C ALA A 38 7.108 4.834 2.527 1.00 0.00 C ATOM 478 O ALA A 38 7.516 5.024 1.382 1.00 0.00 O ATOM 479 CB ALA A 38 6.065 2.628 3.246 1.00 0.00 C ATOM 0 H ALA A 38 5.477 4.486 0.746 1.00 0.00 H new ATOM 0 HA ALA A 38 5.265 4.574 3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.649 2.649 4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.112 2.132 3.432 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.615 2.082 2.480 1.00 0.00 H new ATOM 485 N TRP A 39 7.722 5.255 3.622 1.00 0.00 N ATOM 486 CA TRP A 39 8.964 6.003 3.544 1.00 0.00 C ATOM 487 C TRP A 39 10.018 5.101 2.896 1.00 0.00 C ATOM 488 O TRP A 39 10.382 4.067 3.455 1.00 0.00 O ATOM 489 CB TRP A 39 9.385 6.516 4.922 1.00 0.00 C ATOM 490 CG TRP A 39 9.332 5.458 6.023 1.00 0.00 C ATOM 491 CD1 TRP A 39 8.266 5.041 6.719 1.00 0.00 C ATOM 492 CD2 TRP A 39 10.445 4.689 6.534 1.00 0.00 C ATOM 493 NE1 TRP A 39 8.607 4.068 7.635 1.00 0.00 N ATOM 494 CE2 TRP A 39 9.973 3.847 7.518 1.00 0.00 C ATOM 495 CE3 TRP A 39 11.803 4.709 6.171 1.00 0.00 C ATOM 496 CZ2 TRP A 39 10.795 2.959 8.223 1.00 0.00 C ATOM 497 CZ3 TRP A 39 12.610 3.815 6.886 1.00 0.00 C ATOM 498 CH2 TRP A 39 12.152 2.961 7.880 1.00 0.00 C ATOM 0 H TRP A 39 7.382 5.092 4.570 1.00 0.00 H new ATOM 0 HA TRP A 39 8.839 6.894 2.928 1.00 0.00 H new ATOM 0 HB2 TRP A 39 10.400 6.908 4.858 1.00 0.00 H new ATOM 0 HB3 TRP A 39 8.739 7.348 5.201 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.264 5.420 6.580 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.972 3.597 8.280 1.00 0.00 H new ATOM 0 HE3 TRP A 39 12.192 5.361 5.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.403 2.308 8.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.663 3.788 6.647 1.00 0.00 H new ATOM 0 HH2 TRP A 39 12.840 2.301 8.387 1.00 0.00 H new ATOM 509 N VAL A 40 10.478 5.529 1.729 1.00 0.00 N ATOM 510 CA VAL A 40 11.483 4.771 1.001 1.00 0.00 C ATOM 511 C VAL A 40 12.848 5.439 1.183 1.00 0.00 C ATOM 512 O VAL A 40 13.856 4.757 1.363 1.00 0.00 O ATOM 513 CB VAL A 40 11.074 4.638 -0.469 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.832 5.642 -1.340 1.00 0.00 C ATOM 515 CG2 VAL A 40 11.282 3.209 -0.969 1.00 0.00 C ATOM 0 H VAL A 40 10.175 6.388 1.270 1.00 0.00 H new ATOM 0 HA VAL A 40 11.560 3.758 1.397 1.00 0.00 H new ATOM 0 HB VAL A 40 10.011 4.865 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.524 5.527 -2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.609 6.655 -1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.903 5.460 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.984 3.143 -2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.334 2.940 -0.874 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.677 2.524 -0.375 1.00 0.00 H new ATOM 525 N ASP A 41 12.837 6.761 1.130 1.00 0.00 N ATOM 526 CA ASP A 41 14.061 7.527 1.287 1.00 0.00 C ATOM 527 C ASP A 41 14.353 7.713 2.778 1.00 0.00 C ATOM 528 O ASP A 41 13.931 6.903 3.603 1.00 0.00 O ATOM 529 CB ASP A 41 13.928 8.915 0.655 1.00 0.00 C ATOM 530 CG ASP A 41 15.214 9.466 0.031 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.258 9.525 -1.215 1.00 0.00 O ATOM 532 OD2 ASP A 41 16.121 9.815 0.817 1.00 0.00 O ATOM 0 H ASP A 41 11.999 7.323 0.980 1.00 0.00 H new ATOM 0 HA ASP A 41 14.866 6.982 0.794 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.156 8.876 -0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.583 9.614 1.417 1.00 0.00 H new ATOM 538 N THR A 42 15.075 8.782 3.078 1.00 0.00 N ATOM 539 CA THR A 42 15.428 9.085 4.453 1.00 0.00 C ATOM 540 C THR A 42 14.305 9.871 5.133 1.00 0.00 C ATOM 541 O THR A 42 14.539 10.948 5.680 1.00 0.00 O ATOM 542 CB THR A 42 16.767 9.823 4.447 1.00 0.00 C ATOM 543 OG1 THR A 42 17.170 9.829 5.814 1.00 0.00 O ATOM 544 CG2 THR A 42 16.616 11.306 4.099 1.00 0.00 C ATOM 0 H THR A 42 15.425 9.450 2.391 1.00 0.00 H new ATOM 0 HA THR A 42 15.545 8.174 5.039 1.00 0.00 H new ATOM 0 HB THR A 42 17.439 9.347 3.733 1.00 0.00 H new ATOM 0 HG1 THR A 42 16.522 10.339 6.344 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.596 11.784 4.109 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.174 11.404 3.107 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.970 11.788 4.833 1.00 0.00 H new ATOM 552 N GLY A 43 13.109 9.303 5.076 1.00 0.00 N ATOM 553 CA GLY A 43 11.951 9.936 5.680 1.00 0.00 C ATOM 554 C GLY A 43 11.008 10.489 4.606 1.00 0.00 C ATOM 555 O GLY A 43 10.002 11.121 4.926 1.00 0.00 O ATOM 0 H GLY A 43 12.918 8.411 4.620 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.419 9.214 6.300 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.274 10.744 6.337 1.00 0.00 H new ATOM 559 N VAL A 44 11.366 10.228 3.358 1.00 0.00 N ATOM 560 CA VAL A 44 10.566 10.691 2.238 1.00 0.00 C ATOM 561 C VAL A 44 9.550 9.610 1.861 1.00 0.00 C ATOM 562 O VAL A 44 9.927 8.525 1.422 1.00 0.00 O ATOM 563 CB VAL A 44 11.476 11.087 1.073 1.00 0.00 C ATOM 564 CG1 VAL A 44 10.699 11.870 0.013 1.00 0.00 C ATOM 565 CG2 VAL A 44 12.685 11.885 1.568 1.00 0.00 C ATOM 0 H VAL A 44 12.200 9.701 3.098 1.00 0.00 H new ATOM 0 HA VAL A 44 10.005 11.584 2.513 1.00 0.00 H new ATOM 0 HB VAL A 44 11.846 10.172 0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.369 12.139 -0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.887 11.254 -0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.287 12.776 0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.315 12.154 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.343 12.791 2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.259 11.279 2.269 1.00 0.00 H new ATOM 575 N LEU A 45 8.283 9.945 2.049 1.00 0.00 N ATOM 576 CA LEU A 45 7.210 9.017 1.736 1.00 0.00 C ATOM 577 C LEU A 45 7.234 8.704 0.238 1.00 0.00 C ATOM 578 O LEU A 45 6.891 9.553 -0.583 1.00 0.00 O ATOM 579 CB LEU A 45 5.868 9.563 2.228 1.00 0.00 C ATOM 580 CG LEU A 45 5.050 8.626 3.120 1.00 0.00 C ATOM 581 CD1 LEU A 45 4.192 9.421 4.107 1.00 0.00 C ATOM 582 CD2 LEU A 45 4.212 7.660 2.280 1.00 0.00 C ATOM 0 H LEU A 45 7.975 10.846 2.414 1.00 0.00 H new ATOM 0 HA LEU A 45 7.356 8.074 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.053 10.486 2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.264 9.825 1.359 1.00 0.00 H new ATOM 0 HG LEU A 45 5.742 8.023 3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.621 8.732 4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.836 10.032 4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.507 10.066 3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.641 7.006 2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.527 8.227 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.870 7.058 1.653 1.00 0.00 H new ATOM 594 N ALA A 46 7.643 7.482 -0.073 1.00 0.00 N ATOM 595 CA ALA A 46 7.716 7.047 -1.457 1.00 0.00 C ATOM 596 C ALA A 46 6.781 5.853 -1.662 1.00 0.00 C ATOM 597 O ALA A 46 6.679 4.984 -0.799 1.00 0.00 O ATOM 598 CB ALA A 46 9.167 6.718 -1.812 1.00 0.00 C ATOM 0 H ALA A 46 7.927 6.780 0.610 1.00 0.00 H new ATOM 0 HA ALA A 46 7.388 7.842 -2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.222 6.391 -2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.785 7.606 -1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.529 5.922 -1.162 1.00 0.00 H new ATOM 604 N CYS A 47 6.119 5.852 -2.811 1.00 0.00 N ATOM 605 CA CYS A 47 5.195 4.779 -3.140 1.00 0.00 C ATOM 606 C CYS A 47 5.910 3.800 -4.071 1.00 0.00 C ATOM 607 O CYS A 47 6.889 4.156 -4.722 1.00 0.00 O ATOM 608 CB CYS A 47 3.902 5.317 -3.759 1.00 0.00 C ATOM 609 SG CYS A 47 2.993 6.513 -2.714 1.00 0.00 S ATOM 0 H CYS A 47 6.204 6.576 -3.524 1.00 0.00 H new ATOM 0 HA CYS A 47 4.896 4.260 -2.230 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.141 5.794 -4.709 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.245 4.476 -3.981 1.00 0.00 H new ATOM 614 N ASN A 48 5.390 2.581 -4.107 1.00 0.00 N ATOM 615 CA ASN A 48 5.967 1.545 -4.948 1.00 0.00 C ATOM 616 C ASN A 48 5.331 1.611 -6.338 1.00 0.00 C ATOM 617 O ASN A 48 4.360 2.339 -6.546 1.00 0.00 O ATOM 618 CB ASN A 48 5.699 0.154 -4.371 1.00 0.00 C ATOM 619 CG ASN A 48 5.637 0.196 -2.843 1.00 0.00 C ATOM 620 OD1 ASN A 48 4.912 -0.550 -2.205 1.00 0.00 O ATOM 621 ND2 ASN A 48 6.436 1.107 -2.296 1.00 0.00 N ATOM 0 H ASN A 48 4.576 2.288 -3.567 1.00 0.00 H new ATOM 0 HA ASN A 48 7.043 1.712 -4.999 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.759 -0.232 -4.766 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.484 -0.532 -4.688 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.468 1.214 -1.282 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.017 1.699 -2.890 1.00 0.00 H new ATOM 628 N PRO A 49 5.917 0.824 -7.277 1.00 0.00 N ATOM 629 CA PRO A 49 5.420 0.786 -8.641 1.00 0.00 C ATOM 630 C PRO A 49 4.121 -0.019 -8.730 1.00 0.00 C ATOM 631 O PRO A 49 3.424 0.029 -9.741 1.00 0.00 O ATOM 632 CB PRO A 49 6.550 0.179 -9.456 1.00 0.00 C ATOM 633 CG PRO A 49 7.454 -0.525 -8.458 1.00 0.00 C ATOM 634 CD PRO A 49 7.068 -0.050 -7.067 1.00 0.00 C ATOM 0 HA PRO A 49 5.159 1.774 -9.020 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.164 -0.523 -10.196 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.096 0.949 -10.001 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.342 -1.606 -8.537 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.500 -0.297 -8.663 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.815 -0.889 -6.419 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.889 0.485 -6.590 1.00 0.00 H new ATOM 642 N ALA A 50 3.836 -0.740 -7.655 1.00 0.00 N ATOM 643 CA ALA A 50 2.634 -1.553 -7.597 1.00 0.00 C ATOM 644 C ALA A 50 1.614 -0.886 -6.672 1.00 0.00 C ATOM 645 O ALA A 50 0.660 -1.524 -6.229 1.00 0.00 O ATOM 646 CB ALA A 50 2.996 -2.968 -7.140 1.00 0.00 C ATOM 0 H ALA A 50 4.417 -0.778 -6.818 1.00 0.00 H new ATOM 0 HA ALA A 50 2.179 -1.634 -8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.094 -3.578 -7.096 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.699 -3.410 -7.846 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.453 -2.925 -6.151 1.00 0.00 H new ATOM 652 N ASP A 51 1.852 0.391 -6.407 1.00 0.00 N ATOM 653 CA ASP A 51 0.966 1.152 -5.542 1.00 0.00 C ATOM 654 C ASP A 51 -0.157 1.766 -6.382 1.00 0.00 C ATOM 655 O ASP A 51 -0.977 2.525 -5.868 1.00 0.00 O ATOM 656 CB ASP A 51 1.717 2.293 -4.852 1.00 0.00 C ATOM 657 CG ASP A 51 0.827 3.397 -4.275 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.551 4.354 -5.029 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.446 3.258 -3.093 1.00 0.00 O ATOM 0 H ASP A 51 2.644 0.917 -6.776 1.00 0.00 H new ATOM 0 HA ASP A 51 0.567 0.474 -4.788 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.321 1.876 -4.046 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.406 2.740 -5.568 1.00 0.00 H new ATOM 665 N PHE A 52 -0.159 1.412 -7.657 1.00 0.00 N ATOM 666 CA PHE A 52 -1.168 1.916 -8.573 1.00 0.00 C ATOM 667 C PHE A 52 -2.159 0.817 -8.957 1.00 0.00 C ATOM 668 O PHE A 52 -1.922 0.061 -9.898 1.00 0.00 O ATOM 669 CB PHE A 52 -0.435 2.388 -9.831 1.00 0.00 C ATOM 670 CG PHE A 52 0.934 3.014 -9.555 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.066 3.961 -8.591 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.018 2.623 -10.279 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.336 4.543 -8.335 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.288 3.204 -10.023 1.00 0.00 C ATOM 675 CZ PHE A 52 3.421 4.153 -9.057 1.00 0.00 C ATOM 0 H PHE A 52 0.523 0.781 -8.079 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.728 2.723 -8.101 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.307 1.540 -10.504 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.058 3.116 -10.351 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.205 4.272 -8.018 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.912 1.872 -11.047 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.440 5.295 -7.567 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.149 2.892 -10.595 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.387 4.596 -8.864 1.00 0.00 H new ATOM 685 N SER A 53 -3.251 0.762 -8.208 1.00 0.00 N ATOM 686 CA SER A 53 -4.281 -0.232 -8.458 1.00 0.00 C ATOM 687 C SER A 53 -5.648 0.312 -8.038 1.00 0.00 C ATOM 688 O SER A 53 -6.090 0.086 -6.913 1.00 0.00 O ATOM 689 CB SER A 53 -3.978 -1.537 -7.718 1.00 0.00 C ATOM 690 OG SER A 53 -5.124 -2.378 -7.627 1.00 0.00 O ATOM 0 H SER A 53 -3.445 1.390 -7.428 1.00 0.00 H new ATOM 0 HA SER A 53 -4.296 -0.447 -9.527 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.178 -2.069 -8.234 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.615 -1.309 -6.716 1.00 0.00 H new ATOM 0 HG SER A 53 -5.337 -2.540 -6.684 1.00 0.00 H new ATOM 696 N SER A 54 -6.278 1.019 -8.965 1.00 0.00 N ATOM 697 CA SER A 54 -7.585 1.597 -8.704 1.00 0.00 C ATOM 698 C SER A 54 -8.382 0.690 -7.762 1.00 0.00 C ATOM 699 O SER A 54 -8.217 -0.529 -7.786 1.00 0.00 O ATOM 700 CB SER A 54 -8.359 1.821 -10.005 1.00 0.00 C ATOM 701 OG SER A 54 -8.605 0.600 -10.696 1.00 0.00 O ATOM 0 H SER A 54 -5.908 1.204 -9.897 1.00 0.00 H new ATOM 0 HA SER A 54 -7.440 2.566 -8.228 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.308 2.310 -9.783 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.796 2.496 -10.650 1.00 0.00 H new ATOM 0 HG SER A 54 -9.102 0.785 -11.520 1.00 0.00 H new ATOM 707 N VAL A 55 -9.224 1.320 -6.959 1.00 0.00 N ATOM 708 CA VAL A 55 -10.047 0.584 -6.014 1.00 0.00 C ATOM 709 C VAL A 55 -11.317 1.383 -5.719 1.00 0.00 C ATOM 710 O VAL A 55 -11.359 2.592 -5.932 1.00 0.00 O ATOM 711 CB VAL A 55 -9.237 0.267 -4.754 1.00 0.00 C ATOM 712 CG1 VAL A 55 -8.759 1.549 -4.069 1.00 0.00 C ATOM 713 CG2 VAL A 55 -10.044 -0.604 -3.788 1.00 0.00 C ATOM 0 H VAL A 55 -9.355 2.331 -6.942 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.355 -0.371 -6.439 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.355 -0.297 -5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.187 1.293 -3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.129 2.115 -4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.621 2.153 -3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.446 -0.815 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.953 -0.078 -3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.309 -1.541 -4.278 1.00 0.00 H new ATOM 723 N THR A 56 -12.325 0.673 -5.234 1.00 0.00 N ATOM 724 CA THR A 56 -13.596 1.298 -4.910 1.00 0.00 C ATOM 725 C THR A 56 -14.308 0.520 -3.801 1.00 0.00 C ATOM 726 O THR A 56 -14.320 -0.709 -3.812 1.00 0.00 O ATOM 727 CB THR A 56 -14.413 1.408 -6.198 1.00 0.00 C ATOM 728 OG1 THR A 56 -13.958 2.619 -6.796 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.898 1.660 -5.930 1.00 0.00 C ATOM 0 H THR A 56 -12.287 -0.331 -5.057 1.00 0.00 H new ATOM 0 HA THR A 56 -13.451 2.303 -4.515 1.00 0.00 H new ATOM 0 HB THR A 56 -14.299 0.493 -6.779 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.028 2.784 -6.534 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.432 1.730 -6.878 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.307 0.837 -5.343 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.015 2.593 -5.378 1.00 0.00 H new ATOM 737 N ALA A 57 -14.883 1.269 -2.872 1.00 0.00 N ATOM 738 CA ALA A 57 -15.595 0.664 -1.760 1.00 0.00 C ATOM 739 C ALA A 57 -17.100 0.816 -1.980 1.00 0.00 C ATOM 740 O ALA A 57 -17.584 1.910 -2.269 1.00 0.00 O ATOM 741 CB ALA A 57 -15.132 1.302 -0.449 1.00 0.00 C ATOM 0 H ALA A 57 -14.870 2.289 -2.867 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.376 -0.402 -1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.666 0.848 0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.061 1.141 -0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.338 2.372 -0.472 1.00 0.00 H new ATOM 747 N ASP A 58 -17.804 -0.300 -1.838 1.00 0.00 N ATOM 748 CA ASP A 58 -19.247 -0.303 -2.019 1.00 0.00 C ATOM 749 C ASP A 58 -19.884 0.668 -1.023 1.00 0.00 C ATOM 750 O ASP A 58 -19.277 1.009 -0.009 1.00 0.00 O ATOM 751 CB ASP A 58 -19.829 -1.693 -1.762 1.00 0.00 C ATOM 752 CG ASP A 58 -18.916 -2.859 -2.149 1.00 0.00 C ATOM 753 OD1 ASP A 58 -17.904 -2.587 -2.828 1.00 0.00 O ATOM 754 OD2 ASP A 58 -19.252 -3.999 -1.758 1.00 0.00 O ATOM 0 H ASP A 58 -17.402 -1.207 -1.600 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.459 -0.006 -3.046 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -20.073 -1.778 -0.703 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.765 -1.786 -2.313 1.00 0.00 H new ATOM 760 N ALA A 59 -21.098 1.085 -1.348 1.00 0.00 N ATOM 761 CA ALA A 59 -21.825 2.012 -0.495 1.00 0.00 C ATOM 762 C ALA A 59 -21.551 1.668 0.971 1.00 0.00 C ATOM 763 O ALA A 59 -21.509 2.555 1.821 1.00 0.00 O ATOM 764 CB ALA A 59 -23.314 1.959 -0.838 1.00 0.00 C ATOM 0 H ALA A 59 -21.598 0.799 -2.190 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.488 3.035 -0.663 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.859 2.653 -0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.457 2.238 -1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.689 0.948 -0.678 1.00 0.00 H new ATOM 770 N ASN A 60 -21.371 0.379 1.219 1.00 0.00 N ATOM 771 CA ASN A 60 -21.103 -0.092 2.568 1.00 0.00 C ATOM 772 C ASN A 60 -19.596 -0.059 2.826 1.00 0.00 C ATOM 773 O ASN A 60 -19.058 -0.935 3.500 1.00 0.00 O ATOM 774 CB ASN A 60 -21.583 -1.534 2.754 1.00 0.00 C ATOM 775 CG ASN A 60 -21.948 -1.804 4.216 1.00 0.00 C ATOM 776 OD1 ASN A 60 -22.093 -0.903 5.025 1.00 0.00 O ATOM 777 ND2 ASN A 60 -22.086 -3.096 4.506 1.00 0.00 N ATOM 0 H ASN A 60 -21.405 -0.353 0.510 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.634 0.558 3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -22.449 -1.718 2.119 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.802 -2.225 2.436 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.328 -3.383 5.455 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.950 -3.799 3.780 1.00 0.00 H new ATOM 784 N GLY A 61 -18.955 0.960 2.272 1.00 0.00 N ATOM 785 CA GLY A 61 -17.519 1.119 2.431 1.00 0.00 C ATOM 786 C GLY A 61 -16.805 -0.231 2.335 1.00 0.00 C ATOM 787 O GLY A 61 -15.844 -0.481 3.061 1.00 0.00 O ATOM 0 H GLY A 61 -19.404 1.684 1.712 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.137 1.792 1.664 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.305 1.580 3.395 1.00 0.00 H new ATOM 791 N SER A 62 -17.304 -1.066 1.435 1.00 0.00 N ATOM 792 CA SER A 62 -16.724 -2.383 1.233 1.00 0.00 C ATOM 793 C SER A 62 -15.791 -2.366 0.024 1.00 0.00 C ATOM 794 O SER A 62 -16.236 -2.539 -1.112 1.00 0.00 O ATOM 795 CB SER A 62 -17.814 -3.442 1.049 1.00 0.00 C ATOM 796 OG SER A 62 -18.775 -3.408 2.102 1.00 0.00 O ATOM 0 H SER A 62 -18.104 -0.856 0.838 1.00 0.00 H new ATOM 0 HA SER A 62 -16.149 -2.642 2.122 1.00 0.00 H new ATOM 0 HB2 SER A 62 -18.316 -3.283 0.095 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.356 -4.430 1.008 1.00 0.00 H new ATOM 0 HG SER A 62 -18.706 -2.555 2.580 1.00 0.00 H new ATOM 802 N ALA A 63 -14.513 -2.154 0.303 1.00 0.00 N ATOM 803 CA ALA A 63 -13.513 -2.114 -0.751 1.00 0.00 C ATOM 804 C ALA A 63 -12.675 -3.393 -0.703 1.00 0.00 C ATOM 805 O ALA A 63 -11.644 -3.439 -0.033 1.00 0.00 O ATOM 806 CB ALA A 63 -12.661 -0.852 -0.595 1.00 0.00 C ATOM 0 H ALA A 63 -14.147 -2.008 1.244 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.988 -2.069 -1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.910 -0.820 -1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.299 0.029 -0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.166 -0.865 0.376 1.00 0.00 H new ATOM 812 N SER A 64 -13.147 -4.399 -1.424 1.00 0.00 N ATOM 813 CA SER A 64 -12.456 -5.675 -1.472 1.00 0.00 C ATOM 814 C SER A 64 -11.581 -5.749 -2.726 1.00 0.00 C ATOM 815 O SER A 64 -11.972 -6.353 -3.723 1.00 0.00 O ATOM 816 CB SER A 64 -13.444 -6.842 -1.445 1.00 0.00 C ATOM 817 OG SER A 64 -14.371 -6.731 -0.368 1.00 0.00 O ATOM 0 H SER A 64 -14.001 -4.356 -1.980 1.00 0.00 H new ATOM 0 HA SER A 64 -11.823 -5.753 -0.588 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.988 -6.879 -2.389 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.895 -7.780 -1.356 1.00 0.00 H new ATOM 0 HG SER A 64 -14.986 -7.494 -0.386 1.00 0.00 H new ATOM 823 N THR A 65 -10.416 -5.125 -2.634 1.00 0.00 N ATOM 824 CA THR A 65 -9.483 -5.113 -3.749 1.00 0.00 C ATOM 825 C THR A 65 -8.281 -6.009 -3.448 1.00 0.00 C ATOM 826 O THR A 65 -7.695 -5.927 -2.369 1.00 0.00 O ATOM 827 CB THR A 65 -9.103 -3.658 -4.031 1.00 0.00 C ATOM 828 OG1 THR A 65 -8.594 -3.685 -5.361 1.00 0.00 O ATOM 829 CG2 THR A 65 -7.916 -3.190 -3.186 1.00 0.00 C ATOM 0 H THR A 65 -10.096 -4.624 -1.805 1.00 0.00 H new ATOM 0 HA THR A 65 -9.937 -5.525 -4.650 1.00 0.00 H new ATOM 0 HB THR A 65 -9.961 -3.014 -3.840 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.325 -2.781 -5.627 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.687 -2.151 -3.424 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.167 -3.273 -2.129 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.048 -3.812 -3.403 1.00 0.00 H new ATOM 837 N SER A 66 -7.947 -6.844 -4.421 1.00 0.00 N ATOM 838 CA SER A 66 -6.824 -7.755 -4.274 1.00 0.00 C ATOM 839 C SER A 66 -5.571 -7.144 -4.906 1.00 0.00 C ATOM 840 O SER A 66 -5.650 -6.496 -5.948 1.00 0.00 O ATOM 841 CB SER A 66 -7.131 -9.114 -4.908 1.00 0.00 C ATOM 842 OG SER A 66 -6.942 -9.098 -6.321 1.00 0.00 O ATOM 0 H SER A 66 -8.434 -6.909 -5.315 1.00 0.00 H new ATOM 0 HA SER A 66 -6.647 -7.913 -3.210 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.488 -9.875 -4.465 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.160 -9.395 -4.683 1.00 0.00 H new ATOM 0 HG SER A 66 -7.146 -9.983 -6.688 1.00 0.00 H new ATOM 848 N LEU A 67 -4.445 -7.376 -4.247 1.00 0.00 N ATOM 849 CA LEU A 67 -3.177 -6.856 -4.732 1.00 0.00 C ATOM 850 C LEU A 67 -2.041 -7.763 -4.247 1.00 0.00 C ATOM 851 O LEU A 67 -2.250 -8.618 -3.388 1.00 0.00 O ATOM 852 CB LEU A 67 -3.006 -5.391 -4.325 1.00 0.00 C ATOM 853 CG LEU A 67 -2.540 -4.440 -5.430 1.00 0.00 C ATOM 854 CD1 LEU A 67 -1.025 -4.539 -5.636 1.00 0.00 C ATOM 855 CD2 LEU A 67 -3.311 -4.683 -6.727 1.00 0.00 C ATOM 0 H LEU A 67 -4.384 -7.916 -3.384 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.154 -6.865 -5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.958 -5.028 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.289 -5.343 -3.505 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.757 -3.419 -5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.720 -3.853 -6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.514 -4.276 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.762 -5.558 -5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.959 -3.993 -7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.150 -5.709 -7.059 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.375 -4.521 -6.554 1.00 0.00 H new ATOM 867 N THR A 68 -0.867 -7.544 -4.820 1.00 0.00 N ATOM 868 CA THR A 68 0.299 -8.331 -4.459 1.00 0.00 C ATOM 869 C THR A 68 1.245 -7.511 -3.579 1.00 0.00 C ATOM 870 O THR A 68 1.517 -6.346 -3.872 1.00 0.00 O ATOM 871 CB THR A 68 0.951 -8.830 -5.751 1.00 0.00 C ATOM 872 OG1 THR A 68 1.948 -9.746 -5.305 1.00 0.00 O ATOM 873 CG2 THR A 68 1.745 -7.735 -6.467 1.00 0.00 C ATOM 0 H THR A 68 -0.698 -6.833 -5.532 1.00 0.00 H new ATOM 0 HA THR A 68 0.020 -9.199 -3.861 1.00 0.00 H new ATOM 0 HB THR A 68 0.182 -9.217 -6.420 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.419 -10.119 -6.079 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.187 -8.142 -7.377 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.079 -6.911 -6.724 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.536 -7.371 -5.811 1.00 0.00 H new ATOM 881 N VAL A 69 1.718 -8.149 -2.519 1.00 0.00 N ATOM 882 CA VAL A 69 2.627 -7.491 -1.595 1.00 0.00 C ATOM 883 C VAL A 69 4.063 -7.669 -2.086 1.00 0.00 C ATOM 884 O VAL A 69 4.744 -8.617 -1.701 1.00 0.00 O ATOM 885 CB VAL A 69 2.410 -8.029 -0.177 1.00 0.00 C ATOM 886 CG1 VAL A 69 3.211 -7.221 0.843 1.00 0.00 C ATOM 887 CG2 VAL A 69 0.922 -8.045 0.181 1.00 0.00 C ATOM 0 H VAL A 69 1.489 -9.114 -2.279 1.00 0.00 H new ATOM 0 HA VAL A 69 2.426 -6.420 -1.558 1.00 0.00 H new ATOM 0 HB VAL A 69 2.772 -9.057 -0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.039 -7.623 1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.273 -7.284 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.893 -6.179 0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.795 -8.431 1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.524 -7.032 0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.386 -8.684 -0.521 1.00 0.00 H new ATOM 897 N ARG A 70 4.483 -6.737 -2.932 1.00 0.00 N ATOM 898 CA ARG A 70 5.828 -6.779 -3.480 1.00 0.00 C ATOM 899 C ARG A 70 6.807 -6.066 -2.544 1.00 0.00 C ATOM 900 O ARG A 70 7.062 -4.873 -2.698 1.00 0.00 O ATOM 901 CB ARG A 70 5.881 -6.116 -4.859 1.00 0.00 C ATOM 902 CG ARG A 70 5.237 -7.009 -5.920 1.00 0.00 C ATOM 903 CD ARG A 70 6.123 -7.109 -7.164 1.00 0.00 C ATOM 904 NE ARG A 70 6.266 -8.525 -7.573 1.00 0.00 N ATOM 905 CZ ARG A 70 6.795 -8.922 -8.738 1.00 0.00 C ATOM 906 NH1 ARG A 70 7.238 -8.012 -9.616 1.00 0.00 N ATOM 907 NH2 ARG A 70 6.883 -10.228 -9.024 1.00 0.00 N ATOM 0 H ARG A 70 3.916 -5.951 -3.250 1.00 0.00 H new ATOM 0 HA ARG A 70 6.112 -7.827 -3.579 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.366 -5.156 -4.825 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.917 -5.913 -5.129 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.068 -8.004 -5.509 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.262 -6.608 -6.195 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.688 -6.529 -7.978 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.104 -6.681 -6.957 1.00 0.00 H new ATOM 0 HE ARG A 70 5.941 -9.244 -6.927 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.172 -7.018 -9.397 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.641 -8.313 -10.503 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.547 -10.920 -8.355 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.286 -10.530 -9.911 1.00 0.00 H new ATOM 921 N ARG A 71 7.327 -6.829 -1.594 1.00 0.00 N ATOM 922 CA ARG A 71 8.270 -6.286 -0.632 1.00 0.00 C ATOM 923 C ARG A 71 9.432 -5.604 -1.355 1.00 0.00 C ATOM 924 O ARG A 71 9.969 -4.607 -0.874 1.00 0.00 O ATOM 925 CB ARG A 71 8.822 -7.386 0.281 1.00 0.00 C ATOM 926 CG ARG A 71 9.772 -6.803 1.328 1.00 0.00 C ATOM 927 CD ARG A 71 11.108 -7.550 1.331 1.00 0.00 C ATOM 928 NE ARG A 71 10.890 -8.977 1.655 1.00 0.00 N ATOM 929 CZ ARG A 71 10.661 -9.441 2.891 1.00 0.00 C ATOM 930 NH1 ARG A 71 10.620 -8.595 3.928 1.00 0.00 N ATOM 931 NH2 ARG A 71 10.473 -10.754 3.090 1.00 0.00 N ATOM 0 H ARG A 71 7.113 -7.819 -1.470 1.00 0.00 H new ATOM 0 HA ARG A 71 7.738 -5.556 -0.022 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.998 -7.899 0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.347 -8.131 -0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.942 -5.746 1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.314 -6.865 2.315 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.587 -7.459 0.356 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.783 -7.102 2.061 1.00 0.00 H new ATOM 0 HE ARG A 71 10.916 -9.650 0.889 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.763 -7.596 3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.446 -8.949 4.869 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.504 -11.399 2.301 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.299 -11.107 4.031 1.00 0.00 H new ATOM 945 N SER A 72 9.788 -6.166 -2.500 1.00 0.00 N ATOM 946 CA SER A 72 10.876 -5.624 -3.296 1.00 0.00 C ATOM 947 C SER A 72 10.317 -4.881 -4.511 1.00 0.00 C ATOM 948 O SER A 72 9.500 -5.425 -5.255 1.00 0.00 O ATOM 949 CB SER A 72 11.835 -6.730 -3.745 1.00 0.00 C ATOM 950 OG SER A 72 11.185 -7.698 -4.563 1.00 0.00 O ATOM 0 H SER A 72 9.341 -6.993 -2.896 1.00 0.00 H new ATOM 0 HA SER A 72 11.436 -4.924 -2.676 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.666 -6.289 -4.296 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.258 -7.221 -2.869 1.00 0.00 H new ATOM 0 HG SER A 72 10.402 -7.292 -4.991 1.00 0.00 H new ATOM 956 N PHE A 73 10.778 -3.651 -4.673 1.00 0.00 N ATOM 957 CA PHE A 73 10.333 -2.825 -5.786 1.00 0.00 C ATOM 958 C PHE A 73 11.058 -1.480 -5.796 1.00 0.00 C ATOM 959 O PHE A 73 11.842 -1.186 -4.894 1.00 0.00 O ATOM 960 CB PHE A 73 8.835 -2.582 -5.593 1.00 0.00 C ATOM 961 CG PHE A 73 8.426 -2.344 -4.138 1.00 0.00 C ATOM 962 CD1 PHE A 73 9.340 -1.881 -3.243 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.150 -2.595 -3.740 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.960 -1.658 -1.893 1.00 0.00 C ATOM 965 CE2 PHE A 73 6.771 -2.374 -2.389 1.00 0.00 C ATOM 966 CZ PHE A 73 7.684 -1.910 -1.495 1.00 0.00 C ATOM 0 H PHE A 73 11.455 -3.205 -4.054 1.00 0.00 H new ATOM 0 HA PHE A 73 10.545 -3.328 -6.729 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.537 -1.719 -6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.285 -3.441 -5.978 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.354 -1.683 -3.559 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.425 -2.962 -4.451 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.684 -1.288 -1.182 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.758 -2.574 -2.072 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.396 -1.741 -0.468 1.00 0.00 H new ATOM 976 N GLU A 74 10.772 -0.696 -6.825 1.00 0.00 N ATOM 977 CA GLU A 74 11.388 0.612 -6.963 1.00 0.00 C ATOM 978 C GLU A 74 10.487 1.691 -6.358 1.00 0.00 C ATOM 979 O GLU A 74 9.428 1.999 -6.903 1.00 0.00 O ATOM 980 CB GLU A 74 11.700 0.920 -8.429 1.00 0.00 C ATOM 981 CG GLU A 74 12.609 2.146 -8.551 1.00 0.00 C ATOM 982 CD GLU A 74 14.070 1.732 -8.714 1.00 0.00 C ATOM 983 OE1 GLU A 74 14.390 1.188 -9.795 1.00 0.00 O ATOM 984 OE2 GLU A 74 14.839 1.966 -7.757 1.00 0.00 O ATOM 0 H GLU A 74 10.122 -0.942 -7.571 1.00 0.00 H new ATOM 0 HA GLU A 74 12.332 0.605 -6.417 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.182 0.058 -8.891 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.772 1.096 -8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.301 2.748 -9.406 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.502 2.772 -7.665 1.00 0.00 H new ATOM 992 N GLY A 75 10.938 2.235 -5.237 1.00 0.00 N ATOM 993 CA GLY A 75 10.184 3.272 -4.551 1.00 0.00 C ATOM 994 C GLY A 75 10.247 4.594 -5.319 1.00 0.00 C ATOM 995 O GLY A 75 11.201 4.844 -6.054 1.00 0.00 O ATOM 0 H GLY A 75 11.816 1.977 -4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.145 2.960 -4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.582 3.412 -3.546 1.00 0.00 H new ATOM 999 N PHE A 76 9.219 5.404 -5.122 1.00 0.00 N ATOM 1000 CA PHE A 76 9.144 6.693 -5.788 1.00 0.00 C ATOM 1001 C PHE A 76 8.870 7.815 -4.783 1.00 0.00 C ATOM 1002 O PHE A 76 7.797 7.867 -4.185 1.00 0.00 O ATOM 1003 CB PHE A 76 7.984 6.620 -6.780 1.00 0.00 C ATOM 1004 CG PHE A 76 8.414 6.377 -8.228 1.00 0.00 C ATOM 1005 CD1 PHE A 76 8.571 5.106 -8.687 1.00 0.00 C ATOM 1006 CD2 PHE A 76 8.643 7.433 -9.055 1.00 0.00 C ATOM 1007 CE1 PHE A 76 8.971 4.881 -10.031 1.00 0.00 C ATOM 1008 CE2 PHE A 76 9.045 7.206 -10.399 1.00 0.00 C ATOM 1009 CZ PHE A 76 9.201 5.935 -10.858 1.00 0.00 C ATOM 0 H PHE A 76 8.430 5.193 -4.510 1.00 0.00 H new ATOM 0 HA PHE A 76 10.090 6.909 -6.285 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.308 5.821 -6.474 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.419 7.551 -6.731 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.391 4.268 -8.029 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.519 8.442 -8.691 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.093 3.872 -10.396 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.227 8.043 -11.057 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.508 5.763 -11.879 1.00 0.00 H new ATOM 1019 N LEU A 77 9.858 8.683 -4.628 1.00 0.00 N ATOM 1020 CA LEU A 77 9.738 9.799 -3.705 1.00 0.00 C ATOM 1021 C LEU A 77 8.458 10.578 -4.019 1.00 0.00 C ATOM 1022 O LEU A 77 7.965 10.541 -5.145 1.00 0.00 O ATOM 1023 CB LEU A 77 11.002 10.657 -3.734 1.00 0.00 C ATOM 1024 CG LEU A 77 12.331 9.899 -3.658 1.00 0.00 C ATOM 1025 CD1 LEU A 77 13.515 10.868 -3.632 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.347 8.941 -2.466 1.00 0.00 C ATOM 0 H LEU A 77 10.747 8.636 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 77 9.650 9.438 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.995 11.247 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.959 11.360 -2.902 1.00 0.00 H new ATOM 0 HG LEU A 77 12.432 9.294 -4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.446 10.304 -3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.510 11.473 -4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.434 11.518 -2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.301 8.415 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.213 9.506 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.538 8.218 -2.569 1.00 0.00 H new ATOM 1038 N PHE A 78 7.959 11.266 -3.002 1.00 0.00 N ATOM 1039 CA PHE A 78 6.747 12.052 -3.157 1.00 0.00 C ATOM 1040 C PHE A 78 7.019 13.330 -3.953 1.00 0.00 C ATOM 1041 O PHE A 78 6.149 13.810 -4.678 1.00 0.00 O ATOM 1042 CB PHE A 78 6.279 12.432 -1.750 1.00 0.00 C ATOM 1043 CG PHE A 78 6.802 13.785 -1.266 1.00 0.00 C ATOM 1044 CD1 PHE A 78 6.249 14.936 -1.732 1.00 0.00 C ATOM 1045 CD2 PHE A 78 7.823 13.838 -0.367 1.00 0.00 C ATOM 1046 CE1 PHE A 78 6.736 16.192 -1.284 1.00 0.00 C ATOM 1047 CE2 PHE A 78 8.309 15.092 0.083 1.00 0.00 C ATOM 1048 CZ PHE A 78 7.756 16.243 -0.384 1.00 0.00 C ATOM 0 H PHE A 78 8.371 11.295 -2.069 1.00 0.00 H new ATOM 0 HA PHE A 78 5.995 11.475 -3.695 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.189 12.448 -1.732 1.00 0.00 H new ATOM 0 HB3 PHE A 78 6.598 11.659 -1.051 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.438 14.895 -2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 78 8.263 12.924 0.004 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.298 17.106 -1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 78 9.119 15.133 0.797 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.126 17.198 -0.041 1.00 0.00 H new ATOM 1058 N ASP A 79 8.231 13.842 -3.793 1.00 0.00 N ATOM 1059 CA ASP A 79 8.629 15.053 -4.490 1.00 0.00 C ATOM 1060 C ASP A 79 8.380 14.880 -5.989 1.00 0.00 C ATOM 1061 O ASP A 79 7.756 15.733 -6.620 1.00 0.00 O ATOM 1062 CB ASP A 79 10.116 15.340 -4.287 1.00 0.00 C ATOM 1063 CG ASP A 79 10.466 16.812 -4.048 1.00 0.00 C ATOM 1064 OD1 ASP A 79 11.365 17.304 -4.760 1.00 0.00 O ATOM 1065 OD2 ASP A 79 9.822 17.408 -3.157 1.00 0.00 O ATOM 0 H ASP A 79 8.950 13.440 -3.191 1.00 0.00 H new ATOM 0 HA ASP A 79 8.044 15.881 -4.089 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.470 14.756 -3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.661 14.991 -5.164 1.00 0.00 H new ATOM 1071 N GLY A 80 8.883 13.772 -6.516 1.00 0.00 N ATOM 1072 CA GLY A 80 8.721 13.477 -7.930 1.00 0.00 C ATOM 1073 C GLY A 80 9.830 12.542 -8.423 1.00 0.00 C ATOM 1074 O GLY A 80 9.662 11.852 -9.427 1.00 0.00 O ATOM 0 H GLY A 80 9.402 13.069 -5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.748 13.016 -8.100 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.739 14.404 -8.504 1.00 0.00 H new ATOM 1078 N THR A 81 10.936 12.553 -7.694 1.00 0.00 N ATOM 1079 CA THR A 81 12.071 11.715 -8.044 1.00 0.00 C ATOM 1080 C THR A 81 11.849 10.284 -7.549 1.00 0.00 C ATOM 1081 O THR A 81 11.136 10.065 -6.572 1.00 0.00 O ATOM 1082 CB THR A 81 13.334 12.367 -7.477 1.00 0.00 C ATOM 1083 OG1 THR A 81 13.309 13.689 -8.008 1.00 0.00 O ATOM 1084 CG2 THR A 81 14.613 11.758 -8.049 1.00 0.00 C ATOM 0 H THR A 81 11.071 13.129 -6.863 1.00 0.00 H new ATOM 0 HA THR A 81 12.187 11.637 -9.125 1.00 0.00 H new ATOM 0 HB THR A 81 13.340 12.267 -6.392 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.092 14.184 -7.690 1.00 0.00 H new ATOM 0 HG21 THR A 81 15.479 12.256 -7.614 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.648 10.695 -7.811 1.00 0.00 H new ATOM 0 HG23 THR A 81 14.625 11.888 -9.131 1.00 0.00 H new ATOM 1092 N ARG A 82 12.477 9.347 -8.244 1.00 0.00 N ATOM 1093 CA ARG A 82 12.359 7.945 -7.887 1.00 0.00 C ATOM 1094 C ARG A 82 13.576 7.498 -7.076 1.00 0.00 C ATOM 1095 O ARG A 82 14.712 7.826 -7.422 1.00 0.00 O ATOM 1096 CB ARG A 82 12.238 7.066 -9.136 1.00 0.00 C ATOM 1097 CG ARG A 82 13.410 7.305 -10.090 1.00 0.00 C ATOM 1098 CD ARG A 82 12.961 8.087 -11.325 1.00 0.00 C ATOM 1099 NE ARG A 82 14.092 8.229 -12.271 1.00 0.00 N ATOM 1100 CZ ARG A 82 14.580 7.224 -13.010 1.00 0.00 C ATOM 1101 NH1 ARG A 82 14.043 6.001 -12.919 1.00 0.00 N ATOM 1102 NH2 ARG A 82 15.606 7.444 -13.844 1.00 0.00 N ATOM 0 H ARG A 82 13.070 9.532 -9.053 1.00 0.00 H new ATOM 0 HA ARG A 82 11.456 7.832 -7.287 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.210 6.016 -8.845 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.299 7.281 -9.647 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.197 7.854 -9.574 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.836 6.349 -10.395 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.132 7.572 -11.811 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.596 9.071 -11.030 1.00 0.00 H new ATOM 0 HE ARG A 82 14.525 9.148 -12.365 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.261 5.833 -12.286 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.416 5.237 -13.483 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.014 8.376 -13.915 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.978 6.679 -14.407 1.00 0.00 H new ATOM 1116 N TRP A 83 13.299 6.758 -6.013 1.00 0.00 N ATOM 1117 CA TRP A 83 14.359 6.264 -5.149 1.00 0.00 C ATOM 1118 C TRP A 83 14.674 4.824 -5.562 1.00 0.00 C ATOM 1119 O TRP A 83 15.538 4.591 -6.406 1.00 0.00 O ATOM 1120 CB TRP A 83 13.969 6.392 -3.675 1.00 0.00 C ATOM 1121 CG TRP A 83 14.911 5.659 -2.716 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.813 4.403 -2.263 1.00 0.00 C ATOM 1123 CD2 TRP A 83 16.105 6.196 -2.110 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.853 4.092 -1.411 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.663 5.214 -1.314 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.695 7.466 -2.228 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.838 5.404 -0.577 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 17.868 7.639 -1.483 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.444 6.662 -0.679 1.00 0.00 C ATOM 0 H TRP A 83 12.357 6.488 -5.730 1.00 0.00 H new ATOM 0 HA TRP A 83 15.262 6.864 -5.264 1.00 0.00 H new ATOM 0 HB2 TRP A 83 13.944 7.448 -3.407 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.959 6.005 -3.542 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.020 3.720 -2.530 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.999 3.200 -0.939 1.00 0.00 H new ATOM 0 HE3 TRP A 83 16.276 8.247 -2.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 18.255 4.621 0.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.360 8.599 -1.537 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.354 6.872 -0.136 1.00 0.00 H new ATOM 1140 N GLY A 84 13.953 3.896 -4.949 1.00 0.00 N ATOM 1141 CA GLY A 84 14.144 2.485 -5.242 1.00 0.00 C ATOM 1142 C GLY A 84 13.918 1.631 -3.993 1.00 0.00 C ATOM 1143 O GLY A 84 12.885 0.976 -3.865 1.00 0.00 O ATOM 0 H GLY A 84 13.236 4.093 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.454 2.176 -6.028 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.153 2.322 -5.621 1.00 0.00 H new ATOM 1147 N THR A 85 14.902 1.665 -3.106 1.00 0.00 N ATOM 1148 CA THR A 85 14.824 0.902 -1.871 1.00 0.00 C ATOM 1149 C THR A 85 14.909 -0.596 -2.166 1.00 0.00 C ATOM 1150 O THR A 85 15.765 -1.293 -1.622 1.00 0.00 O ATOM 1151 CB THR A 85 13.537 1.307 -1.146 1.00 0.00 C ATOM 1152 OG1 THR A 85 13.810 2.618 -0.662 1.00 0.00 O ATOM 1153 CG2 THR A 85 13.296 0.483 0.121 1.00 0.00 C ATOM 0 H THR A 85 15.758 2.209 -3.218 1.00 0.00 H new ATOM 0 HA THR A 85 15.666 1.121 -1.215 1.00 0.00 H new ATOM 0 HB THR A 85 12.688 1.193 -1.820 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.339 3.108 -1.326 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.371 0.810 0.597 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.216 -0.572 -0.141 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.128 0.624 0.810 1.00 0.00 H new ATOM 1161 N VAL A 86 14.010 -1.051 -3.027 1.00 0.00 N ATOM 1162 CA VAL A 86 13.973 -2.454 -3.400 1.00 0.00 C ATOM 1163 C VAL A 86 13.387 -3.269 -2.247 1.00 0.00 C ATOM 1164 O VAL A 86 12.178 -3.254 -2.020 1.00 0.00 O ATOM 1165 CB VAL A 86 15.370 -2.922 -3.814 1.00 0.00 C ATOM 1166 CG1 VAL A 86 15.351 -4.391 -4.245 1.00 0.00 C ATOM 1167 CG2 VAL A 86 15.940 -2.034 -4.922 1.00 0.00 C ATOM 0 H VAL A 86 13.301 -0.472 -3.477 1.00 0.00 H new ATOM 0 HA VAL A 86 13.325 -2.602 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 86 16.023 -2.835 -2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.356 -4.698 -4.534 1.00 0.00 H new ATOM 0 HG12 VAL A 86 15.007 -5.009 -3.416 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.676 -4.513 -5.092 1.00 0.00 H new ATOM 0 HG21 VAL A 86 16.933 -2.388 -5.197 1.00 0.00 H new ATOM 0 HG22 VAL A 86 15.286 -2.074 -5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.007 -1.006 -4.566 1.00 0.00 H new ATOM 1177 N ASP A 87 14.273 -3.962 -1.543 1.00 0.00 N ATOM 1178 CA ASP A 87 13.859 -4.781 -0.416 1.00 0.00 C ATOM 1179 C ASP A 87 13.240 -3.887 0.658 1.00 0.00 C ATOM 1180 O ASP A 87 13.939 -3.104 1.299 1.00 0.00 O ATOM 1181 CB ASP A 87 15.054 -5.509 0.203 1.00 0.00 C ATOM 1182 CG ASP A 87 14.846 -7.004 0.444 1.00 0.00 C ATOM 1183 OD1 ASP A 87 13.814 -7.343 1.065 1.00 0.00 O ATOM 1184 OD2 ASP A 87 15.723 -7.777 0.002 1.00 0.00 O ATOM 0 H ASP A 87 15.275 -3.972 -1.732 1.00 0.00 H new ATOM 0 HA ASP A 87 13.138 -5.514 -0.778 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.917 -5.378 -0.449 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.297 -5.034 1.153 1.00 0.00 H new ATOM 1190 N CYS A 88 11.932 -4.033 0.824 1.00 0.00 N ATOM 1191 CA CYS A 88 11.211 -3.249 1.811 1.00 0.00 C ATOM 1192 C CYS A 88 11.260 -3.994 3.146 1.00 0.00 C ATOM 1193 O CYS A 88 10.236 -4.160 3.806 1.00 0.00 O ATOM 1194 CB CYS A 88 9.775 -2.965 1.368 1.00 0.00 C ATOM 1195 SG CYS A 88 8.743 -2.107 2.613 1.00 0.00 S ATOM 0 H CYS A 88 11.354 -4.683 0.291 1.00 0.00 H new ATOM 0 HA CYS A 88 11.686 -2.275 1.923 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.802 -2.361 0.461 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.296 -3.909 1.108 1.00 0.00 H new ATOM 1200 N THR A 89 12.462 -4.421 3.504 1.00 0.00 N ATOM 1201 CA THR A 89 12.659 -5.145 4.750 1.00 0.00 C ATOM 1202 C THR A 89 13.043 -4.180 5.873 1.00 0.00 C ATOM 1203 O THR A 89 12.938 -4.519 7.050 1.00 0.00 O ATOM 1204 CB THR A 89 13.700 -6.237 4.502 1.00 0.00 C ATOM 1205 OG1 THR A 89 13.805 -6.907 5.755 1.00 0.00 O ATOM 1206 CG2 THR A 89 15.101 -5.667 4.269 1.00 0.00 C ATOM 0 H THR A 89 13.309 -4.280 2.954 1.00 0.00 H new ATOM 0 HA THR A 89 11.737 -5.625 5.079 1.00 0.00 H new ATOM 0 HB THR A 89 13.401 -6.834 3.640 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.459 -7.633 5.684 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.802 -6.484 4.098 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.087 -5.012 3.398 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.413 -5.099 5.145 1.00 0.00 H new ATOM 1214 N THR A 90 13.483 -2.996 5.468 1.00 0.00 N ATOM 1215 CA THR A 90 13.884 -1.980 6.426 1.00 0.00 C ATOM 1216 C THR A 90 12.684 -1.115 6.818 1.00 0.00 C ATOM 1217 O THR A 90 12.352 -1.006 7.996 1.00 0.00 O ATOM 1218 CB THR A 90 15.035 -1.182 5.812 1.00 0.00 C ATOM 1219 OG1 THR A 90 16.166 -2.041 5.947 1.00 0.00 O ATOM 1220 CG2 THR A 90 15.404 0.049 6.643 1.00 0.00 C ATOM 0 H THR A 90 13.570 -2.719 4.490 1.00 0.00 H new ATOM 0 HA THR A 90 14.239 -2.427 7.354 1.00 0.00 H new ATOM 0 HB THR A 90 14.762 -0.872 4.803 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.957 -1.601 5.572 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.226 0.579 6.162 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.540 0.710 6.718 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.709 -0.264 7.642 1.00 0.00 H new ATOM 1228 N ALA A 91 12.069 -0.519 5.806 1.00 0.00 N ATOM 1229 CA ALA A 91 10.916 0.334 6.030 1.00 0.00 C ATOM 1230 C ALA A 91 9.640 -0.504 5.932 1.00 0.00 C ATOM 1231 O ALA A 91 9.581 -1.466 5.167 1.00 0.00 O ATOM 1232 CB ALA A 91 10.932 1.490 5.028 1.00 0.00 C ATOM 0 H ALA A 91 12.348 -0.611 4.829 1.00 0.00 H new ATOM 0 HA ALA A 91 10.950 0.769 7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.066 2.130 5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.844 2.072 5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.897 1.093 4.014 1.00 0.00 H new ATOM 1238 N ALA A 92 8.649 -0.111 6.719 1.00 0.00 N ATOM 1239 CA ALA A 92 7.379 -0.815 6.731 1.00 0.00 C ATOM 1240 C ALA A 92 6.504 -0.298 5.586 1.00 0.00 C ATOM 1241 O ALA A 92 6.177 0.887 5.536 1.00 0.00 O ATOM 1242 CB ALA A 92 6.712 -0.641 8.097 1.00 0.00 C ATOM 0 H ALA A 92 8.701 0.686 7.353 1.00 0.00 H new ATOM 0 HA ALA A 92 7.531 -1.883 6.575 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.759 -1.169 8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.360 -1.048 8.873 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.541 0.419 8.286 1.00 0.00 H new ATOM 1248 N CYS A 93 6.150 -1.214 4.696 1.00 0.00 N ATOM 1249 CA CYS A 93 5.320 -0.864 3.556 1.00 0.00 C ATOM 1250 C CYS A 93 3.856 -0.879 4.005 1.00 0.00 C ATOM 1251 O CYS A 93 3.354 -1.902 4.465 1.00 0.00 O ATOM 1252 CB CYS A 93 5.562 -1.803 2.372 1.00 0.00 C ATOM 1253 SG CYS A 93 6.982 -2.939 2.571 1.00 0.00 S ATOM 0 H CYS A 93 6.422 -2.196 4.741 1.00 0.00 H new ATOM 0 HA CYS A 93 5.582 0.134 3.205 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.662 -2.395 2.206 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.718 -1.202 1.476 1.00 0.00 H new ATOM 1258 N GLN A 94 3.214 0.271 3.855 1.00 0.00 N ATOM 1259 CA GLN A 94 1.821 0.404 4.240 1.00 0.00 C ATOM 1260 C GLN A 94 0.913 0.217 3.021 1.00 0.00 C ATOM 1261 O GLN A 94 0.935 1.027 2.095 1.00 0.00 O ATOM 1262 CB GLN A 94 1.563 1.754 4.912 1.00 0.00 C ATOM 1263 CG GLN A 94 2.299 1.849 6.250 1.00 0.00 C ATOM 1264 CD GLN A 94 2.889 3.246 6.453 1.00 0.00 C ATOM 1265 OE1 GLN A 94 3.248 3.939 5.515 1.00 0.00 O ATOM 1266 NE2 GLN A 94 2.971 3.618 7.727 1.00 0.00 N ATOM 0 H GLN A 94 3.634 1.118 3.472 1.00 0.00 H new ATOM 0 HA GLN A 94 1.590 -0.376 4.965 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.890 2.560 4.255 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.493 1.887 5.071 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.612 1.619 7.064 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.095 1.105 6.285 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.652 2.989 8.464 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.353 4.533 7.968 1.00 0.00 H new ATOM 1275 N VAL A 95 0.139 -0.857 3.058 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.774 -1.161 1.969 1.00 0.00 C ATOM 1277 C VAL A 95 -2.110 -0.461 2.219 1.00 0.00 C ATOM 1278 O VAL A 95 -2.825 -0.794 3.163 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.913 -2.676 1.810 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.637 -3.027 0.509 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.452 -3.362 1.879 1.00 0.00 C ATOM 0 H VAL A 95 0.125 -1.528 3.826 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.381 -0.784 1.025 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.516 -3.045 2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.722 -4.110 0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.633 -2.584 0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.072 -2.637 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.325 -4.438 1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.090 -2.984 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.916 -3.153 2.843 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.411 0.499 1.354 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.650 1.249 1.470 1.00 0.00 C ATOM 1293 C GLY A 96 -3.932 2.040 0.191 1.00 0.00 C ATOM 1294 O GLY A 96 -3.146 2.000 -0.755 1.00 0.00 O ATOM 0 H GLY A 96 -1.818 0.774 0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.476 0.566 1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.589 1.931 2.318 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.056 2.742 0.202 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.451 3.541 -0.943 1.00 0.00 C ATOM 1300 C LEU A 97 -5.266 5.024 -0.614 1.00 0.00 C ATOM 1301 O LEU A 97 -5.486 5.445 0.521 1.00 0.00 O ATOM 1302 CB LEU A 97 -6.872 3.182 -1.383 1.00 0.00 C ATOM 1303 CG LEU A 97 -8.005 3.818 -0.576 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -9.372 3.376 -1.105 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -7.846 3.524 0.918 1.00 0.00 C ATOM 0 H LEU A 97 -5.706 2.773 0.988 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.812 3.322 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.991 3.469 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.983 2.099 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.947 4.899 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.159 3.843 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.474 3.678 -2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.457 2.292 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.664 3.987 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.863 2.446 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.897 3.929 1.269 1.00 0.00 H new ATOM 1317 N SER A 98 -4.861 5.776 -1.627 1.00 0.00 N ATOM 1318 CA SER A 98 -4.644 7.204 -1.459 1.00 0.00 C ATOM 1319 C SER A 98 -5.936 7.968 -1.757 1.00 0.00 C ATOM 1320 O SER A 98 -6.799 7.478 -2.484 1.00 0.00 O ATOM 1321 CB SER A 98 -3.515 7.699 -2.364 1.00 0.00 C ATOM 1322 OG SER A 98 -3.998 8.137 -3.631 1.00 0.00 O ATOM 0 H SER A 98 -4.677 5.424 -2.567 1.00 0.00 H new ATOM 0 HA SER A 98 -4.351 7.386 -0.425 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.990 8.519 -1.873 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.790 6.898 -2.510 1.00 0.00 H new ATOM 0 HG SER A 98 -3.246 8.447 -4.178 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.029 9.157 -1.179 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.200 9.995 -1.373 1.00 0.00 C ATOM 1330 C ASP A 99 -6.926 10.994 -2.499 1.00 0.00 C ATOM 1331 O ASP A 99 -5.771 11.290 -2.805 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.525 10.787 -0.105 1.00 0.00 C ATOM 1333 CG ASP A 99 -6.868 10.264 1.172 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -7.618 10.034 2.144 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -5.626 10.106 1.147 1.00 0.00 O ATOM 0 H ASP A 99 -5.312 9.560 -0.576 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.042 9.348 -1.620 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.220 11.823 -0.254 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.606 10.790 0.036 1.00 0.00 H new ATOM 1341 N ALA A 100 -8.007 11.487 -3.084 1.00 0.00 N ATOM 1342 CA ALA A 100 -7.899 12.448 -4.169 1.00 0.00 C ATOM 1343 C ALA A 100 -7.599 13.832 -3.591 1.00 0.00 C ATOM 1344 O ALA A 100 -7.453 14.800 -4.336 1.00 0.00 O ATOM 1345 CB ALA A 100 -9.184 12.427 -4.999 1.00 0.00 C ATOM 0 H ALA A 100 -8.963 11.239 -2.827 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.077 12.185 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.103 13.148 -5.813 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.335 11.429 -5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.031 12.689 -4.365 1.00 0.00 H new ATOM 1351 N ALA A 101 -7.518 13.882 -2.270 1.00 0.00 N ATOM 1352 CA ALA A 101 -7.238 15.131 -1.584 1.00 0.00 C ATOM 1353 C ALA A 101 -5.748 15.204 -1.253 1.00 0.00 C ATOM 1354 O ALA A 101 -5.254 16.243 -0.814 1.00 0.00 O ATOM 1355 CB ALA A 101 -8.120 15.238 -0.338 1.00 0.00 C ATOM 0 H ALA A 101 -7.642 13.077 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.474 15.981 -2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.910 16.175 0.177 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.169 15.213 -0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.910 14.402 0.329 1.00 0.00 H new ATOM 1361 N GLY A 102 -5.069 14.087 -1.470 1.00 0.00 N ATOM 1362 CA GLY A 102 -3.644 14.011 -1.199 1.00 0.00 C ATOM 1363 C GLY A 102 -3.356 14.227 0.288 1.00 0.00 C ATOM 1364 O GLY A 102 -2.519 15.051 0.649 1.00 0.00 O ATOM 0 H GLY A 102 -5.480 13.226 -1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.263 13.038 -1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.118 14.762 -1.788 1.00 0.00 H new ATOM 1368 N ASN A 103 -4.067 13.469 1.111 1.00 0.00 N ATOM 1369 CA ASN A 103 -3.898 13.566 2.551 1.00 0.00 C ATOM 1370 C ASN A 103 -3.578 12.183 3.116 1.00 0.00 C ATOM 1371 O ASN A 103 -4.000 11.168 2.565 1.00 0.00 O ATOM 1372 CB ASN A 103 -5.180 14.066 3.222 1.00 0.00 C ATOM 1373 CG ASN A 103 -5.608 15.417 2.648 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -4.798 16.231 2.235 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -6.924 15.612 2.646 1.00 0.00 N ATOM 0 H ASN A 103 -4.761 12.786 0.808 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.088 14.268 2.750 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.978 13.337 3.079 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.021 14.157 4.296 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.310 16.484 2.284 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -7.547 14.889 3.006 1.00 0.00 H new ATOM 1382 N GLY A 104 -2.831 12.185 4.212 1.00 0.00 N ATOM 1383 CA GLY A 104 -2.447 10.941 4.859 1.00 0.00 C ATOM 1384 C GLY A 104 -3.568 9.903 4.757 1.00 0.00 C ATOM 1385 O GLY A 104 -4.496 9.905 5.566 1.00 0.00 O ATOM 0 H GLY A 104 -2.482 13.028 4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.541 10.550 4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.214 11.128 5.907 1.00 0.00 H new ATOM 1389 N PRO A 105 -3.438 9.016 3.736 1.00 0.00 N ATOM 1390 CA PRO A 105 -4.427 7.974 3.519 1.00 0.00 C ATOM 1391 C PRO A 105 -4.280 6.856 4.553 1.00 0.00 C ATOM 1392 O PRO A 105 -3.372 6.886 5.380 1.00 0.00 O ATOM 1393 CB PRO A 105 -4.194 7.501 2.095 1.00 0.00 C ATOM 1394 CG PRO A 105 -2.793 7.963 1.725 1.00 0.00 C ATOM 1395 CD PRO A 105 -2.352 8.984 2.762 1.00 0.00 C ATOM 0 HA PRO A 105 -5.449 8.331 3.643 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -4.279 6.417 2.025 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.936 7.923 1.417 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.105 7.118 1.704 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -2.787 8.404 0.728 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.411 8.694 3.228 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.195 9.964 2.311 1.00 0.00 H new ATOM 1403 N GLU A 106 -5.189 5.896 4.472 1.00 0.00 N ATOM 1404 CA GLU A 106 -5.174 4.769 5.389 1.00 0.00 C ATOM 1405 C GLU A 106 -4.316 3.635 4.824 1.00 0.00 C ATOM 1406 O GLU A 106 -4.727 2.953 3.885 1.00 0.00 O ATOM 1407 CB GLU A 106 -6.594 4.287 5.692 1.00 0.00 C ATOM 1408 CG GLU A 106 -7.045 4.740 7.080 1.00 0.00 C ATOM 1409 CD GLU A 106 -6.962 3.590 8.087 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -6.306 2.583 7.744 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -7.558 3.745 9.176 1.00 0.00 O ATOM 0 H GLU A 106 -5.942 5.875 3.784 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.731 5.098 6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -7.281 4.674 4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.633 3.199 5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.421 5.568 7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -8.069 5.111 7.030 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.144 3.468 5.417 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.227 2.430 4.983 1.00 0.00 C ATOM 1421 C GLY A 107 -1.845 1.514 6.149 1.00 0.00 C ATOM 1422 O GLY A 107 -1.497 1.987 7.228 1.00 0.00 O ATOM 0 H GLY A 107 -2.808 4.035 6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.687 1.842 4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.329 2.885 4.564 1.00 0.00 H new ATOM 1426 N VAL A 108 -1.927 0.218 5.889 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.596 -0.770 6.903 1.00 0.00 C ATOM 1428 C VAL A 108 -0.196 -1.323 6.632 1.00 0.00 C ATOM 1429 O VAL A 108 0.053 -1.906 5.577 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.670 -1.858 6.943 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.547 -2.795 5.739 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.608 -2.642 8.257 1.00 0.00 C ATOM 0 H VAL A 108 -2.217 -0.171 4.992 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.579 -0.311 7.892 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.643 -1.370 6.889 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.322 -3.559 5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.664 -2.222 4.819 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.567 -3.272 5.747 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.382 -3.409 8.260 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.630 -3.113 8.354 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.768 -1.962 9.094 1.00 0.00 H new ATOM 1442 N ALA A 109 0.684 -1.119 7.602 1.00 0.00 N ATOM 1443 CA ALA A 109 2.053 -1.589 7.482 1.00 0.00 C ATOM 1444 C ALA A 109 2.056 -3.112 7.338 1.00 0.00 C ATOM 1445 O ALA A 109 2.223 -3.832 8.322 1.00 0.00 O ATOM 1446 CB ALA A 109 2.864 -1.117 8.690 1.00 0.00 C ATOM 0 H ALA A 109 0.475 -0.634 8.475 1.00 0.00 H new ATOM 0 HA ALA A 109 2.523 -1.173 6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.891 -1.470 8.599 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.857 -0.028 8.730 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.423 -1.516 9.603 1.00 0.00 H new ATOM 1452 N ILE A 110 1.865 -3.558 6.105 1.00 0.00 N ATOM 1453 CA ILE A 110 1.843 -4.984 5.821 1.00 0.00 C ATOM 1454 C ILE A 110 3.186 -5.400 5.220 1.00 0.00 C ATOM 1455 O ILE A 110 3.629 -4.830 4.224 1.00 0.00 O ATOM 1456 CB ILE A 110 0.641 -5.335 4.943 1.00 0.00 C ATOM 1457 CG1 ILE A 110 -0.357 -6.208 5.703 1.00 0.00 C ATOM 1458 CG2 ILE A 110 1.090 -5.986 3.633 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -0.657 -5.623 7.086 1.00 0.00 C ATOM 0 H ILE A 110 1.724 -2.958 5.292 1.00 0.00 H new ATOM 0 HA ILE A 110 1.715 -5.555 6.741 1.00 0.00 H new ATOM 0 HB ILE A 110 0.127 -4.410 4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.281 -6.292 5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 110 0.044 -7.216 5.810 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.216 -6.226 3.027 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.733 -5.297 3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.642 -6.900 3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.370 -6.264 7.605 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.265 -5.563 7.664 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.080 -4.625 6.975 1.00 0.00 H new ATOM 1471 N SER A 111 3.798 -6.392 5.850 1.00 0.00 N ATOM 1472 CA SER A 111 5.083 -6.893 5.389 1.00 0.00 C ATOM 1473 C SER A 111 5.821 -7.576 6.542 1.00 0.00 C ATOM 1474 O SER A 111 6.243 -8.725 6.419 1.00 0.00 O ATOM 1475 CB SER A 111 5.936 -5.765 4.807 1.00 0.00 C ATOM 1476 OG SER A 111 5.770 -4.545 5.523 1.00 0.00 O ATOM 0 H SER A 111 3.428 -6.863 6.676 1.00 0.00 H new ATOM 0 HA SER A 111 4.904 -7.621 4.598 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.986 -6.057 4.828 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.668 -5.611 3.762 1.00 0.00 H new ATOM 0 HG SER A 111 5.114 -3.982 5.062 1.00 0.00 H new ATOM 1482 N PHE A 112 5.956 -6.839 7.637 1.00 0.00 N ATOM 1483 CA PHE A 112 6.637 -7.360 8.808 1.00 0.00 C ATOM 1484 C PHE A 112 6.351 -6.495 10.039 1.00 0.00 C ATOM 1485 O PHE A 112 6.992 -5.464 10.239 1.00 0.00 O ATOM 1486 CB PHE A 112 8.137 -7.320 8.509 1.00 0.00 C ATOM 1487 CG PHE A 112 8.797 -8.700 8.451 1.00 0.00 C ATOM 1488 CD1 PHE A 112 8.650 -9.568 9.486 1.00 0.00 C ATOM 1489 CD2 PHE A 112 9.531 -9.056 7.361 1.00 0.00 C ATOM 1490 CE1 PHE A 112 9.262 -10.850 9.431 1.00 0.00 C ATOM 1491 CE2 PHE A 112 10.143 -10.335 7.307 1.00 0.00 C ATOM 1492 CZ PHE A 112 9.996 -11.205 8.341 1.00 0.00 C ATOM 0 H PHE A 112 5.605 -5.886 7.736 1.00 0.00 H new ATOM 0 HA PHE A 112 6.291 -8.372 9.019 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.294 -6.813 7.557 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.634 -6.723 9.274 1.00 0.00 H new ATOM 0 HD1 PHE A 112 8.068 -9.284 10.350 1.00 0.00 H new ATOM 0 HD2 PHE A 112 9.647 -8.366 6.539 1.00 0.00 H new ATOM 0 HE1 PHE A 112 9.145 -11.541 10.253 1.00 0.00 H new ATOM 0 HE2 PHE A 112 10.726 -10.618 6.443 1.00 0.00 H new ATOM 0 HZ PHE A 112 10.462 -12.178 8.298 1.00 0.00 H new ATOM 1502 N ASN A 113 5.389 -6.947 10.828 1.00 0.00 N ATOM 1503 CA ASN A 113 5.010 -6.225 12.033 1.00 0.00 C ATOM 1504 C ASN A 113 6.263 -5.922 12.855 1.00 0.00 C ATOM 1505 O ASN A 113 6.218 -5.122 13.788 1.00 0.00 O ATOM 1506 CB ASN A 113 4.065 -7.060 12.898 1.00 0.00 C ATOM 1507 CG ASN A 113 2.924 -6.204 13.449 1.00 0.00 C ATOM 1508 OD1 ASN A 113 1.981 -5.862 12.755 1.00 0.00 O ATOM 1509 ND2 ASN A 113 3.061 -5.876 14.730 1.00 0.00 N ATOM 0 H ASN A 113 4.860 -7.803 10.658 1.00 0.00 H new ATOM 0 HA ASN A 113 4.507 -5.306 11.733 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.656 -7.881 12.308 1.00 0.00 H new ATOM 0 HB3 ASN A 113 4.620 -7.506 13.723 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.351 -5.305 15.189 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.876 -6.196 15.254 1.00 0.00 H new TER 1516 ASN A 113 HETATM 1517 C1 NCZ A 130 0.686 7.039 1.174 1.00 0.00 C HETATM 1518 C6 NCZ A 130 0.190 6.522 -0.028 1.00 0.00 C HETATM 1519 C5 NCZ A 130 -0.552 5.323 0.006 1.00 0.00 C HETATM 1520 C7 NCZ A 130 -1.052 4.755 -1.162 1.00 0.00 C HETATM 1521 C8 NCZ A 130 -0.780 5.356 -2.375 1.00 0.00 C HETATM 1522 C9 NCZ A 130 -0.035 6.548 -2.437 1.00 0.00 C HETATM 1523 C10 NCZ A 130 0.433 7.182 -1.253 1.00 0.00 C HETATM 1524 C11 NCZ A 130 0.778 8.586 -1.286 1.00 0.00 C HETATM 1525 O3 NCZ A 130 1.154 9.101 -2.339 1.00 0.00 O HETATM 1526 O4 NCZ A 130 0.755 9.471 -0.116 1.00 0.00 O HETATM 1527 C12 NCZ A 130 1.270 10.837 -0.258 1.00 0.00 C HETATM 1528 C13 NCZ A 130 2.715 10.958 0.242 1.00 0.00 C HETATM 1529 C14 NCZ A 130 2.705 11.408 1.504 1.00 0.00 C HETATM 1530 C15 NCZ A 130 1.371 11.886 1.944 1.00 0.00 C HETATM 1531 C16 NCZ A 130 0.499 11.783 0.679 1.00 0.00 C HETATM 1532 O6 NCZ A 130 0.358 13.118 0.116 1.00 0.00 O HETATM 1533 O5 NCZ A 130 3.436 11.878 -0.578 1.00 0.00 O HETATM 1534 O2 NCZ A 130 0.186 7.093 -3.713 1.00 0.00 O HETATM 1535 C4 NCZ A 130 -0.793 4.729 1.221 1.00 0.00 C HETATM 1536 C3 NCZ A 130 -0.296 5.283 2.393 1.00 0.00 C HETATM 1537 C2 NCZ A 130 0.450 6.434 2.380 1.00 0.00 C HETATM 1538 O1 NCZ A 130 0.937 6.936 3.579 1.00 0.00 O HETATM 1539 C17 NCZ A 130 1.351 8.300 3.800 1.00 0.00 C HETATM 1540 C18 NCZ A 130 -1.607 3.479 1.351 1.00 0.00 C HETATM 0 H183 NCZ A 130 -2.611 3.657 0.967 1.00 0.00 H new HETATM 0 H182 NCZ A 130 -1.137 2.678 0.780 1.00 0.00 H new HETATM 0 H181 NCZ A 130 -1.666 3.191 2.401 1.00 0.00 H new HETATM 0 H173 NCZ A 130 2.167 8.547 3.121 1.00 0.00 H new HETATM 0 H172 NCZ A 130 0.511 8.970 3.617 1.00 0.00 H new HETATM 0 H171 NCZ A 130 1.689 8.415 4.830 1.00 0.00 H new HETATM 0 H8 NCZ A 130 -1.147 4.902 -3.295 1.00 0.00 H new HETATM 0 H7 NCZ A 130 -1.652 3.846 -1.120 1.00 0.00 H new HETATM 0 H6 NCZ A 130 -0.138 13.686 0.742 1.00 0.00 H new HETATM 0 H5 NCZ A 130 3.894 12.532 -0.010 1.00 0.00 H new HETATM 0 H3 NCZ A 130 -0.503 4.793 3.344 1.00 0.00 H new HETATM 0 H2 NCZ A 130 0.684 7.933 -3.628 1.00 0.00 H new HETATM 0 H16 NCZ A 130 -0.506 11.401 0.859 1.00 0.00 H new HETATM 0 H15 NCZ A 130 1.076 12.231 2.935 1.00 0.00 H new HETATM 0 H14 NCZ A 130 3.588 11.422 2.143 1.00 0.00 H new HETATM 0 H13 NCZ A 130 3.197 9.981 0.197 1.00 0.00 H new HETATM 0 H12 NCZ A 130 1.178 11.081 -1.316 1.00 0.00 H new HETATM 0 H1 NCZ A 130 1.279 7.953 1.150 1.00 0.00 H new