USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 960 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 106 THR OG1 : rot 180:sc= 0.781 USER MOD Set 1.2: A 115 THR OG1 : rot -101:sc= -0.803! USER MOD Set 2.1: A 44 TYR OH : rot 83:sc= 1.25 USER MOD Set 2.2: A 114 CYS SG : rot 50:sc= 0.926 USER MOD Set 3.1: A 49 ASN : amide:sc= -1.17 K(o=-11,f=-6.6) USER MOD Set 3.2: A 53 GLN : amide:sc= -6! C(o=-11!,f=-6.6!) USER MOD Set 3.3: A 65 MET CE :methyl 162:sc= -4.2! (180deg=-2.48) USER MOD Set 4.1: A 37 THR OG1 : rot 161:sc= -4.04! USER MOD Set 4.2: A 40 GLN : amide:sc= -1.1! C(o=-5.1!,f=-9.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.69) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot -87:sc= -1.18 USER MOD Single : A 28 SER OG : rot 180:sc= -1.13 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.0031) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0533 USER MOD Single : A 43 GLN : amide:sc= -0.345 X(o=-0.35,f=-0.029) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.178 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -3.34 K(o=-3.3,f=-6.7!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.04! USER MOD Single : A 92 MET CE :methyl -176:sc= -0.238 (180deg=-0.256) USER MOD Single : A 94 HIS : no HE2:sc= -5.37 K(o=-5.4,f=-7.2!) USER MOD Single : A 96 LYS NZ :NH3+ 163:sc=-0.00589 (180deg=-0.0925) USER MOD Single : A 105 THR OG1 : rot -4:sc= 0.981 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 36:sc= 0.331 USER MOD Single : A 117 CYS SG : rot -120:sc= -6.65! USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.467 16.736 10.905 1.00 0.00 N ATOM 2 CA GLY A 1 -9.415 16.429 9.897 1.00 0.00 C ATOM 3 C GLY A 1 -9.553 15.034 9.321 1.00 0.00 C ATOM 4 O GLY A 1 -8.570 14.301 9.208 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.329 17.701 11.268 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.405 16.664 10.461 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.403 16.058 11.691 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.466 17.159 9.089 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.433 16.533 10.358 1.00 0.00 H new ATOM 10 N LEU A 2 -10.776 14.664 8.958 1.00 0.00 N ATOM 11 CA LEU A 2 -11.040 13.346 8.391 1.00 0.00 C ATOM 12 C LEU A 2 -12.317 13.361 7.558 1.00 0.00 C ATOM 13 O LEU A 2 -12.345 12.854 6.436 1.00 0.00 O ATOM 14 CB LEU A 2 -11.148 12.301 9.506 1.00 0.00 C ATOM 15 CG LEU A 2 -12.338 12.475 10.454 1.00 0.00 C ATOM 16 CD1 LEU A 2 -12.440 11.287 11.400 1.00 0.00 C ATOM 17 CD2 LEU A 2 -12.218 13.775 11.240 1.00 0.00 C ATOM 0 H LEU A 2 -11.601 15.258 9.046 1.00 0.00 H new ATOM 0 HA LEU A 2 -10.208 13.081 7.738 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.209 11.313 9.050 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.230 12.325 10.094 1.00 0.00 H new ATOM 0 HG LEU A 2 -13.248 12.522 9.856 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.291 11.425 12.068 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -12.577 10.373 10.823 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -11.526 11.211 11.988 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.074 13.877 11.907 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.300 13.762 11.828 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.194 14.617 10.549 1.00 0.00 H new ATOM 29 N THR A 3 -13.369 13.952 8.112 1.00 0.00 N ATOM 30 CA THR A 3 -14.650 14.047 7.426 1.00 0.00 C ATOM 31 C THR A 3 -15.030 15.505 7.229 1.00 0.00 C ATOM 32 O THR A 3 -15.470 15.905 6.150 1.00 0.00 O ATOM 33 CB THR A 3 -15.739 13.328 8.218 1.00 0.00 C ATOM 34 OG1 THR A 3 -15.748 13.755 9.567 1.00 0.00 O ATOM 35 CG2 THR A 3 -15.582 11.825 8.212 1.00 0.00 C ATOM 0 H THR A 3 -13.358 14.375 9.040 1.00 0.00 H new ATOM 0 HA THR A 3 -14.555 13.568 6.452 1.00 0.00 H new ATOM 0 HB THR A 3 -16.675 13.584 7.721 1.00 0.00 H new ATOM 0 HG1 THR A 3 -16.455 13.283 10.055 1.00 0.00 H new ATOM 0 HG21 THR A 3 -16.387 11.373 8.792 1.00 0.00 H new ATOM 0 HG22 THR A 3 -15.624 11.459 7.186 1.00 0.00 H new ATOM 0 HG23 THR A 3 -14.622 11.558 8.654 1.00 0.00 H new ATOM 43 N ALA A 4 -14.846 16.300 8.277 1.00 0.00 N ATOM 44 CA ALA A 4 -15.157 17.717 8.218 1.00 0.00 C ATOM 45 C ALA A 4 -14.354 18.394 7.113 1.00 0.00 C ATOM 46 O ALA A 4 -14.774 19.404 6.550 1.00 0.00 O ATOM 47 CB ALA A 4 -14.884 18.378 9.560 1.00 0.00 C ATOM 0 H ALA A 4 -14.483 15.984 9.176 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.217 17.829 7.990 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -15.122 19.440 9.498 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -15.502 17.912 10.328 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -13.832 18.257 9.818 1.00 0.00 H new ATOM 53 N THR A 5 -13.196 17.817 6.806 1.00 0.00 N ATOM 54 CA THR A 5 -12.324 18.341 5.765 1.00 0.00 C ATOM 55 C THR A 5 -12.634 17.673 4.428 1.00 0.00 C ATOM 56 O THR A 5 -12.895 18.347 3.431 1.00 0.00 O ATOM 57 CB THR A 5 -10.859 18.111 6.150 1.00 0.00 C ATOM 58 OG1 THR A 5 -10.503 18.910 7.264 1.00 0.00 O ATOM 59 CG2 THR A 5 -9.883 18.420 5.035 1.00 0.00 C ATOM 0 H THR A 5 -12.840 16.980 7.268 1.00 0.00 H new ATOM 0 HA THR A 5 -12.498 19.412 5.663 1.00 0.00 H new ATOM 0 HB THR A 5 -10.789 17.048 6.383 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.565 18.748 7.496 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.866 18.234 5.380 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.097 17.783 4.177 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.982 19.466 4.744 1.00 0.00 H new ATOM 67 N LEU A 6 -12.609 16.344 4.423 1.00 0.00 N ATOM 68 CA LEU A 6 -12.894 15.574 3.217 1.00 0.00 C ATOM 69 C LEU A 6 -11.878 15.871 2.115 1.00 0.00 C ATOM 70 O LEU A 6 -10.932 15.110 1.912 1.00 0.00 O ATOM 71 CB LEU A 6 -14.313 15.869 2.721 1.00 0.00 C ATOM 72 CG LEU A 6 -15.373 14.853 3.148 1.00 0.00 C ATOM 73 CD1 LEU A 6 -16.759 15.321 2.733 1.00 0.00 C ATOM 74 CD2 LEU A 6 -15.069 13.486 2.552 1.00 0.00 C ATOM 0 H LEU A 6 -12.394 15.777 5.243 1.00 0.00 H new ATOM 0 HA LEU A 6 -12.818 14.516 3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -14.610 16.854 3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -14.298 15.919 1.632 1.00 0.00 H new ATOM 0 HG LEU A 6 -15.352 14.768 4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -17.500 14.585 3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -16.977 16.279 3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -16.795 15.435 1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -15.833 12.774 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -15.063 13.556 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -14.093 13.147 2.899 1.00 0.00 H new ATOM 86 N ALA A 7 -12.083 16.975 1.403 1.00 0.00 N ATOM 87 CA ALA A 7 -11.187 17.362 0.319 1.00 0.00 C ATOM 88 C ALA A 7 -10.157 18.385 0.785 1.00 0.00 C ATOM 89 O ALA A 7 -10.286 19.579 0.513 1.00 0.00 O ATOM 90 CB ALA A 7 -11.986 17.913 -0.852 1.00 0.00 C ATOM 0 H ALA A 7 -12.861 17.617 1.557 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.649 16.471 -0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.306 18.198 -1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.674 17.149 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -12.551 18.787 -0.528 1.00 0.00 H new ATOM 96 N ALA A 8 -9.132 17.909 1.486 1.00 0.00 N ATOM 97 CA ALA A 8 -8.072 18.779 1.989 1.00 0.00 C ATOM 98 C ALA A 8 -7.111 18.003 2.884 1.00 0.00 C ATOM 99 O ALA A 8 -7.220 18.041 4.110 1.00 0.00 O ATOM 100 CB ALA A 8 -8.662 19.966 2.741 1.00 0.00 C ATOM 0 H ALA A 8 -9.012 16.923 1.719 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.511 19.157 1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.856 20.602 3.107 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.301 20.541 2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.252 19.606 3.584 1.00 0.00 H new ATOM 106 N LEU A 9 -6.171 17.298 2.264 1.00 0.00 N ATOM 107 CA LEU A 9 -5.191 16.511 3.004 1.00 0.00 C ATOM 108 C LEU A 9 -3.831 17.202 3.014 1.00 0.00 C ATOM 109 O LEU A 9 -3.594 18.140 2.252 1.00 0.00 O ATOM 110 CB LEU A 9 -5.061 15.114 2.394 1.00 0.00 C ATOM 111 CG LEU A 9 -6.382 14.460 1.985 1.00 0.00 C ATOM 112 CD1 LEU A 9 -6.165 13.499 0.826 1.00 0.00 C ATOM 113 CD2 LEU A 9 -7.008 13.738 3.168 1.00 0.00 C ATOM 0 H LEU A 9 -6.067 17.255 1.250 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.539 16.420 4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.417 15.176 1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.559 14.466 3.113 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.067 15.242 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.115 13.043 0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.761 14.044 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.463 12.721 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.947 13.279 2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.327 12.966 3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.200 14.451 3.970 1.00 0.00 H new ATOM 125 N THR A 10 -2.941 16.731 3.881 1.00 0.00 N ATOM 126 CA THR A 10 -1.604 17.302 3.992 1.00 0.00 C ATOM 127 C THR A 10 -0.563 16.365 3.390 1.00 0.00 C ATOM 128 O THR A 10 -0.896 15.296 2.880 1.00 0.00 O ATOM 129 CB THR A 10 -1.266 17.584 5.456 1.00 0.00 C ATOM 130 OG1 THR A 10 -1.499 16.438 6.255 1.00 0.00 O ATOM 131 CG2 THR A 10 -2.066 18.726 6.046 1.00 0.00 C ATOM 0 H THR A 10 -3.122 15.955 4.517 1.00 0.00 H new ATOM 0 HA THR A 10 -1.589 18.240 3.437 1.00 0.00 H new ATOM 0 HB THR A 10 -0.212 17.860 5.460 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.275 16.639 7.188 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.777 18.873 7.087 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.869 19.638 5.482 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.129 18.490 5.994 1.00 0.00 H new ATOM 139 N ASP A 11 0.701 16.774 3.452 1.00 0.00 N ATOM 140 CA ASP A 11 1.794 15.971 2.913 1.00 0.00 C ATOM 141 C ASP A 11 1.784 14.564 3.505 1.00 0.00 C ATOM 142 O ASP A 11 2.227 13.608 2.867 1.00 0.00 O ATOM 143 CB ASP A 11 3.138 16.646 3.195 1.00 0.00 C ATOM 144 CG ASP A 11 3.595 17.525 2.048 1.00 0.00 C ATOM 145 OD1 ASP A 11 2.752 18.258 1.490 1.00 0.00 O ATOM 146 OD2 ASP A 11 4.796 17.481 1.708 1.00 0.00 O ATOM 0 H ASP A 11 0.994 17.657 3.870 1.00 0.00 H new ATOM 0 HA ASP A 11 1.653 15.891 1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.056 17.248 4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.892 15.882 3.387 1.00 0.00 H new ATOM 151 N ASP A 12 1.275 14.443 4.728 1.00 0.00 N ATOM 152 CA ASP A 12 1.207 13.151 5.403 1.00 0.00 C ATOM 153 C ASP A 12 0.404 12.149 4.580 1.00 0.00 C ATOM 154 O ASP A 12 0.815 11.001 4.407 1.00 0.00 O ATOM 155 CB ASP A 12 0.579 13.310 6.790 1.00 0.00 C ATOM 156 CG ASP A 12 1.620 13.424 7.886 1.00 0.00 C ATOM 157 OD1 ASP A 12 2.623 12.681 7.833 1.00 0.00 O ATOM 158 OD2 ASP A 12 1.434 14.258 8.798 1.00 0.00 O ATOM 0 H ASP A 12 0.904 15.223 5.271 1.00 0.00 H new ATOM 0 HA ASP A 12 2.223 12.772 5.513 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.054 14.198 6.800 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.067 12.456 6.994 1.00 0.00 H new ATOM 163 N ASP A 13 -0.742 12.591 4.072 1.00 0.00 N ATOM 164 CA ASP A 13 -1.601 11.733 3.265 1.00 0.00 C ATOM 165 C ASP A 13 -0.880 11.282 1.998 1.00 0.00 C ATOM 166 O ASP A 13 -0.918 10.106 1.636 1.00 0.00 O ATOM 167 CB ASP A 13 -2.895 12.466 2.900 1.00 0.00 C ATOM 168 CG ASP A 13 -4.120 11.584 3.044 1.00 0.00 C ATOM 169 OD1 ASP A 13 -4.525 11.313 4.193 1.00 0.00 O ATOM 170 OD2 ASP A 13 -4.673 11.163 2.006 1.00 0.00 O ATOM 0 H ASP A 13 -1.097 13.538 4.205 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.849 10.850 3.854 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.005 13.343 3.538 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.828 12.826 1.873 1.00 0.00 H new ATOM 175 N PHE A 14 -0.221 12.224 1.332 1.00 0.00 N ATOM 176 CA PHE A 14 0.513 11.922 0.108 1.00 0.00 C ATOM 177 C PHE A 14 1.771 11.117 0.417 1.00 0.00 C ATOM 178 O PHE A 14 2.251 10.353 -0.421 1.00 0.00 O ATOM 179 CB PHE A 14 0.884 13.212 -0.626 1.00 0.00 C ATOM 180 CG PHE A 14 -0.172 13.680 -1.588 1.00 0.00 C ATOM 181 CD1 PHE A 14 -0.492 12.930 -2.711 1.00 0.00 C ATOM 182 CD2 PHE A 14 -0.845 14.872 -1.369 1.00 0.00 C ATOM 183 CE1 PHE A 14 -1.463 13.363 -3.594 1.00 0.00 C ATOM 184 CE2 PHE A 14 -1.816 15.307 -2.249 1.00 0.00 C ATOM 185 CZ PHE A 14 -2.126 14.552 -3.363 1.00 0.00 C ATOM 0 H PHE A 14 -0.180 13.202 1.619 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.133 11.324 -0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.070 13.997 0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.816 13.056 -1.170 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.023 11.999 -2.897 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.607 15.467 -0.500 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.703 12.771 -4.465 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.333 16.237 -2.066 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.885 14.891 -4.052 1.00 0.00 H new ATOM 195 N GLN A 15 2.297 11.288 1.626 1.00 0.00 N ATOM 196 CA GLN A 15 3.493 10.570 2.044 1.00 0.00 C ATOM 197 C GLN A 15 3.146 9.135 2.416 1.00 0.00 C ATOM 198 O GLN A 15 3.966 8.229 2.270 1.00 0.00 O ATOM 199 CB GLN A 15 4.151 11.275 3.233 1.00 0.00 C ATOM 200 CG GLN A 15 5.627 10.946 3.396 1.00 0.00 C ATOM 201 CD GLN A 15 6.433 11.249 2.148 1.00 0.00 C ATOM 202 OE1 GLN A 15 6.984 12.340 2.001 1.00 0.00 O ATOM 203 NE2 GLN A 15 6.507 10.282 1.241 1.00 0.00 N ATOM 0 H GLN A 15 1.913 11.917 2.331 1.00 0.00 H new ATOM 0 HA GLN A 15 4.196 10.557 1.211 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.039 12.353 3.113 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.623 10.999 4.146 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.032 11.515 4.233 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.735 9.891 3.646 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.035 9.393 1.404 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.036 10.428 0.381 1.00 0.00 H new ATOM 212 N PHE A 16 1.919 8.935 2.889 1.00 0.00 N ATOM 213 CA PHE A 16 1.462 7.608 3.272 1.00 0.00 C ATOM 214 C PHE A 16 1.202 6.755 2.035 1.00 0.00 C ATOM 215 O PHE A 16 1.744 5.659 1.899 1.00 0.00 O ATOM 216 CB PHE A 16 0.192 7.703 4.123 1.00 0.00 C ATOM 217 CG PHE A 16 -0.454 6.373 4.394 1.00 0.00 C ATOM 218 CD1 PHE A 16 -1.404 5.860 3.526 1.00 0.00 C ATOM 219 CD2 PHE A 16 -0.105 5.633 5.512 1.00 0.00 C ATOM 220 CE1 PHE A 16 -1.997 4.635 3.768 1.00 0.00 C ATOM 221 CE2 PHE A 16 -0.694 4.408 5.761 1.00 0.00 C ATOM 222 CZ PHE A 16 -1.641 3.908 4.888 1.00 0.00 C ATOM 0 H PHE A 16 1.227 9.674 3.015 1.00 0.00 H new ATOM 0 HA PHE A 16 2.245 7.134 3.864 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.436 8.179 5.073 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.526 8.350 3.618 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.685 6.424 2.649 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.636 6.018 6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.737 4.247 3.083 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.414 3.842 6.637 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.102 2.951 5.081 1.00 0.00 H new ATOM 232 N LEU A 17 0.373 7.270 1.131 1.00 0.00 N ATOM 233 CA LEU A 17 0.049 6.556 -0.096 1.00 0.00 C ATOM 234 C LEU A 17 1.304 6.348 -0.936 1.00 0.00 C ATOM 235 O LEU A 17 1.469 5.311 -1.579 1.00 0.00 O ATOM 236 CB LEU A 17 -1.008 7.321 -0.898 1.00 0.00 C ATOM 237 CG LEU A 17 -0.479 8.510 -1.701 1.00 0.00 C ATOM 238 CD1 LEU A 17 -0.158 8.091 -3.127 1.00 0.00 C ATOM 239 CD2 LEU A 17 -1.486 9.651 -1.692 1.00 0.00 C ATOM 0 H LEU A 17 -0.084 8.177 1.226 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.358 5.580 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.494 6.627 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.774 7.679 -0.211 1.00 0.00 H new ATOM 0 HG LEU A 17 0.440 8.860 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.217 8.950 -3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.600 7.308 -3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.061 7.714 -3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.092 10.488 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.422 9.313 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.665 9.970 -0.665 1.00 0.00 H new ATOM 251 N SER A 18 2.193 7.338 -0.917 1.00 0.00 N ATOM 252 CA SER A 18 3.438 7.258 -1.669 1.00 0.00 C ATOM 253 C SER A 18 4.245 6.050 -1.213 1.00 0.00 C ATOM 254 O SER A 18 4.758 5.286 -2.032 1.00 0.00 O ATOM 255 CB SER A 18 4.257 8.537 -1.483 1.00 0.00 C ATOM 256 OG SER A 18 5.471 8.475 -2.211 1.00 0.00 O ATOM 0 H SER A 18 2.073 8.203 -0.389 1.00 0.00 H new ATOM 0 HA SER A 18 3.200 7.148 -2.727 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.675 9.397 -1.814 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.471 8.685 -0.425 1.00 0.00 H new ATOM 0 HG SER A 18 5.975 9.304 -2.077 1.00 0.00 H new ATOM 262 N ASP A 19 4.336 5.876 0.101 1.00 0.00 N ATOM 263 CA ASP A 19 5.061 4.752 0.675 1.00 0.00 C ATOM 264 C ASP A 19 4.237 3.472 0.572 1.00 0.00 C ATOM 265 O ASP A 19 4.762 2.373 0.744 1.00 0.00 O ATOM 266 CB ASP A 19 5.416 5.034 2.137 1.00 0.00 C ATOM 267 CG ASP A 19 6.560 6.017 2.274 1.00 0.00 C ATOM 268 OD1 ASP A 19 7.395 6.090 1.348 1.00 0.00 O ATOM 269 OD2 ASP A 19 6.625 6.713 3.309 1.00 0.00 O ATOM 0 H ASP A 19 3.915 6.501 0.788 1.00 0.00 H new ATOM 0 HA ASP A 19 5.984 4.617 0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.539 5.427 2.652 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.683 4.099 2.630 1.00 0.00 H new ATOM 274 N VAL A 20 2.946 3.616 0.280 1.00 0.00 N ATOM 275 CA VAL A 20 2.075 2.458 0.141 1.00 0.00 C ATOM 276 C VAL A 20 2.369 1.749 -1.171 1.00 0.00 C ATOM 277 O VAL A 20 2.525 0.529 -1.209 1.00 0.00 O ATOM 278 CB VAL A 20 0.584 2.856 0.208 1.00 0.00 C ATOM 279 CG1 VAL A 20 -0.302 1.807 -0.456 1.00 0.00 C ATOM 280 CG2 VAL A 20 0.171 3.063 1.654 1.00 0.00 C ATOM 0 H VAL A 20 2.486 4.515 0.137 1.00 0.00 H new ATOM 0 HA VAL A 20 2.274 1.783 0.974 1.00 0.00 H new ATOM 0 HB VAL A 20 0.454 3.790 -0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.345 2.118 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.019 1.702 -1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.176 0.851 0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.881 3.344 1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.322 2.139 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.775 3.856 2.095 1.00 0.00 H new ATOM 290 N LEU A 21 2.469 2.525 -2.244 1.00 0.00 N ATOM 291 CA LEU A 21 2.772 1.970 -3.553 1.00 0.00 C ATOM 292 C LEU A 21 4.097 1.217 -3.504 1.00 0.00 C ATOM 293 O LEU A 21 4.333 0.298 -4.287 1.00 0.00 O ATOM 294 CB LEU A 21 2.835 3.077 -4.606 1.00 0.00 C ATOM 295 CG LEU A 21 1.645 4.037 -4.609 1.00 0.00 C ATOM 296 CD1 LEU A 21 1.856 5.146 -5.629 1.00 0.00 C ATOM 297 CD2 LEU A 21 0.353 3.284 -4.894 1.00 0.00 C ATOM 0 H LEU A 21 2.345 3.537 -2.231 1.00 0.00 H new ATOM 0 HA LEU A 21 1.977 1.277 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.747 3.654 -4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.913 2.616 -5.591 1.00 0.00 H new ATOM 0 HG LEU A 21 1.566 4.491 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.999 5.819 -5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.759 5.703 -5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.962 4.711 -6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.483 3.983 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.421 2.801 -5.869 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.195 2.528 -4.125 1.00 0.00 H new ATOM 309 N ASP A 22 4.956 1.610 -2.563 1.00 0.00 N ATOM 310 CA ASP A 22 6.249 0.967 -2.398 1.00 0.00 C ATOM 311 C ASP A 22 6.066 -0.504 -2.039 1.00 0.00 C ATOM 312 O ASP A 22 6.918 -1.337 -2.350 1.00 0.00 O ATOM 313 CB ASP A 22 7.071 1.673 -1.318 1.00 0.00 C ATOM 314 CG ASP A 22 7.627 3.002 -1.792 1.00 0.00 C ATOM 315 OD1 ASP A 22 6.856 3.984 -1.845 1.00 0.00 O ATOM 316 OD2 ASP A 22 8.833 3.061 -2.110 1.00 0.00 O ATOM 0 H ASP A 22 4.775 2.370 -1.907 1.00 0.00 H new ATOM 0 HA ASP A 22 6.788 1.036 -3.343 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.448 1.836 -0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.893 1.027 -1.010 1.00 0.00 H new ATOM 321 N CYS A 23 4.945 -0.818 -1.384 1.00 0.00 N ATOM 322 CA CYS A 23 4.649 -2.193 -0.989 1.00 0.00 C ATOM 323 C CYS A 23 4.802 -3.150 -2.169 1.00 0.00 C ATOM 324 O CYS A 23 5.152 -2.740 -3.275 1.00 0.00 O ATOM 325 CB CYS A 23 3.230 -2.292 -0.418 1.00 0.00 C ATOM 326 SG CYS A 23 1.915 -2.256 -1.664 1.00 0.00 S ATOM 0 H CYS A 23 4.231 -0.140 -1.118 1.00 0.00 H new ATOM 0 HA CYS A 23 5.365 -2.480 -0.219 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.146 -3.216 0.154 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.075 -1.469 0.280 1.00 0.00 H new ATOM 0 HG CYS A 23 1.599 -1.022 -1.926 1.00 0.00 H new ATOM 332 N ARG A 24 4.537 -4.427 -1.925 1.00 0.00 N ATOM 333 CA ARG A 24 4.651 -5.437 -2.973 1.00 0.00 C ATOM 334 C ARG A 24 3.284 -5.955 -3.403 1.00 0.00 C ATOM 335 O ARG A 24 3.009 -6.086 -4.596 1.00 0.00 O ATOM 336 CB ARG A 24 5.518 -6.603 -2.496 1.00 0.00 C ATOM 337 CG ARG A 24 6.851 -6.175 -1.901 1.00 0.00 C ATOM 338 CD ARG A 24 7.557 -5.149 -2.775 1.00 0.00 C ATOM 339 NE ARG A 24 8.968 -5.475 -2.973 1.00 0.00 N ATOM 340 CZ ARG A 24 9.739 -4.901 -3.895 1.00 0.00 C ATOM 341 NH1 ARG A 24 9.241 -3.972 -4.701 1.00 0.00 N ATOM 342 NH2 ARG A 24 11.011 -5.258 -4.011 1.00 0.00 N ATOM 0 H ARG A 24 4.243 -4.788 -1.017 1.00 0.00 H new ATOM 0 HA ARG A 24 5.122 -4.964 -3.835 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.965 -7.174 -1.750 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.704 -7.272 -3.336 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.688 -5.756 -0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.491 -7.049 -1.777 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.059 -5.093 -3.743 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.474 -4.164 -2.316 1.00 0.00 H new ATOM 0 HE ARG A 24 9.387 -6.183 -2.370 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.263 -3.694 -4.616 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.836 -3.536 -5.405 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.399 -5.972 -3.394 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.602 -4.819 -4.717 1.00 0.00 H new ATOM 356 N ALA A 25 2.432 -6.258 -2.431 1.00 0.00 N ATOM 357 CA ALA A 25 1.101 -6.774 -2.725 1.00 0.00 C ATOM 358 C ALA A 25 0.059 -6.219 -1.761 1.00 0.00 C ATOM 359 O ALA A 25 0.356 -5.953 -0.596 1.00 0.00 O ATOM 360 CB ALA A 25 1.112 -8.294 -2.673 1.00 0.00 C ATOM 0 H ALA A 25 2.638 -6.156 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 25 0.827 -6.449 -3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.114 -8.673 -2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.817 -8.678 -3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.413 -8.622 -1.678 1.00 0.00 H new ATOM 366 N VAL A 26 -1.165 -6.056 -2.254 1.00 0.00 N ATOM 367 CA VAL A 26 -2.257 -5.543 -1.435 1.00 0.00 C ATOM 368 C VAL A 26 -3.275 -6.643 -1.143 1.00 0.00 C ATOM 369 O VAL A 26 -3.701 -7.365 -2.044 1.00 0.00 O ATOM 370 CB VAL A 26 -2.962 -4.330 -2.097 1.00 0.00 C ATOM 371 CG1 VAL A 26 -2.934 -4.441 -3.610 1.00 0.00 C ATOM 372 CG2 VAL A 26 -4.393 -4.175 -1.593 1.00 0.00 C ATOM 0 H VAL A 26 -1.425 -6.272 -3.216 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.819 -5.201 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.409 -3.435 -1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.435 -3.578 -4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.900 -4.473 -3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.447 -5.352 -3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.858 -3.316 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.961 -5.075 -1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.384 -4.023 -0.514 1.00 0.00 H new ATOM 382 N ARG A 27 -3.658 -6.762 0.125 1.00 0.00 N ATOM 383 CA ARG A 27 -4.623 -7.773 0.540 1.00 0.00 C ATOM 384 C ARG A 27 -5.310 -7.368 1.841 1.00 0.00 C ATOM 385 O ARG A 27 -4.681 -6.803 2.736 1.00 0.00 O ATOM 386 CB ARG A 27 -3.930 -9.125 0.719 1.00 0.00 C ATOM 387 CG ARG A 27 -4.118 -10.067 -0.459 1.00 0.00 C ATOM 388 CD ARG A 27 -5.587 -10.385 -0.689 1.00 0.00 C ATOM 389 NE ARG A 27 -5.765 -11.527 -1.581 1.00 0.00 N ATOM 390 CZ ARG A 27 -5.522 -11.491 -2.889 1.00 0.00 C ATOM 391 NH1 ARG A 27 -5.092 -10.372 -3.460 1.00 0.00 N ATOM 392 NH2 ARG A 27 -5.711 -12.575 -3.628 1.00 0.00 N ATOM 0 H ARG A 27 -3.315 -6.171 0.882 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.380 -7.858 -0.240 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.864 -8.959 0.874 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.313 -9.603 1.620 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.697 -9.616 -1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.568 -10.991 -0.279 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.067 -10.593 0.267 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.085 -9.513 -1.112 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.095 -12.404 -1.178 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.946 -9.535 -2.896 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.907 -10.350 -4.463 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.043 -13.437 -3.194 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.525 -12.548 -4.630 1.00 0.00 H new ATOM 406 N SER A 28 -6.601 -7.661 1.943 1.00 0.00 N ATOM 407 CA SER A 28 -7.367 -7.331 3.138 1.00 0.00 C ATOM 408 C SER A 28 -6.960 -8.224 4.303 1.00 0.00 C ATOM 409 O SER A 28 -6.846 -9.440 4.152 1.00 0.00 O ATOM 410 CB SER A 28 -8.865 -7.481 2.867 1.00 0.00 C ATOM 411 OG SER A 28 -9.615 -6.523 3.594 1.00 0.00 O ATOM 0 H SER A 28 -7.139 -8.127 1.212 1.00 0.00 H new ATOM 0 HA SER A 28 -7.155 -6.295 3.402 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.058 -7.365 1.801 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.188 -8.485 3.142 1.00 0.00 H new ATOM 0 HG SER A 28 -10.569 -6.640 3.401 1.00 0.00 H new ATOM 417 N ALA A 29 -6.749 -7.620 5.469 1.00 0.00 N ATOM 418 CA ALA A 29 -6.364 -8.375 6.653 1.00 0.00 C ATOM 419 C ALA A 29 -7.442 -9.388 7.008 1.00 0.00 C ATOM 420 O ALA A 29 -7.146 -10.532 7.351 1.00 0.00 O ATOM 421 CB ALA A 29 -6.098 -7.440 7.823 1.00 0.00 C ATOM 0 H ALA A 29 -6.838 -6.615 5.617 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.442 -8.915 6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.812 -8.024 8.698 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.291 -6.754 7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.000 -6.871 8.046 1.00 0.00 H new ATOM 427 N MET A 30 -8.698 -8.962 6.908 1.00 0.00 N ATOM 428 CA MET A 30 -9.823 -9.843 7.203 1.00 0.00 C ATOM 429 C MET A 30 -9.735 -11.118 6.365 1.00 0.00 C ATOM 430 O MET A 30 -10.250 -12.167 6.750 1.00 0.00 O ATOM 431 CB MET A 30 -11.148 -9.126 6.931 1.00 0.00 C ATOM 432 CG MET A 30 -11.717 -8.418 8.150 1.00 0.00 C ATOM 433 SD MET A 30 -13.511 -8.249 8.080 1.00 0.00 S ATOM 434 CE MET A 30 -13.881 -7.847 9.785 1.00 0.00 C ATOM 0 H MET A 30 -8.961 -8.018 6.627 1.00 0.00 H new ATOM 0 HA MET A 30 -9.781 -10.113 8.258 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.001 -8.397 6.134 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.877 -9.851 6.569 1.00 0.00 H new ATOM 0 HG2 MET A 30 -11.443 -8.972 9.048 1.00 0.00 H new ATOM 0 HG3 MET A 30 -11.266 -7.429 8.235 1.00 0.00 H new ATOM 0 HE1 MET A 30 -14.956 -7.712 9.902 1.00 0.00 H new ATOM 0 HE2 MET A 30 -13.545 -8.658 10.431 1.00 0.00 H new ATOM 0 HE3 MET A 30 -13.367 -6.926 10.061 1.00 0.00 H new ATOM 444 N ASN A 31 -9.066 -11.012 5.219 1.00 0.00 N ATOM 445 CA ASN A 31 -8.889 -12.144 4.318 1.00 0.00 C ATOM 446 C ASN A 31 -7.550 -12.036 3.591 1.00 0.00 C ATOM 447 O ASN A 31 -7.498 -11.988 2.362 1.00 0.00 O ATOM 448 CB ASN A 31 -10.035 -12.204 3.305 1.00 0.00 C ATOM 449 CG ASN A 31 -11.290 -12.825 3.887 1.00 0.00 C ATOM 450 OD1 ASN A 31 -11.535 -14.021 3.731 1.00 0.00 O ATOM 451 ND2 ASN A 31 -12.091 -12.011 4.564 1.00 0.00 N ATOM 0 H ASN A 31 -8.636 -10.147 4.893 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.896 -13.061 4.907 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.260 -11.196 2.955 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.718 -12.780 2.435 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.950 -12.371 4.980 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.847 -11.026 4.668 1.00 0.00 H new ATOM 458 N LEU A 32 -6.469 -11.988 4.366 1.00 0.00 N ATOM 459 CA LEU A 32 -5.122 -11.874 3.810 1.00 0.00 C ATOM 460 C LEU A 32 -4.872 -12.922 2.727 1.00 0.00 C ATOM 461 O LEU A 32 -4.044 -12.722 1.838 1.00 0.00 O ATOM 462 CB LEU A 32 -4.079 -12.018 4.925 1.00 0.00 C ATOM 463 CG LEU A 32 -2.886 -11.061 4.839 1.00 0.00 C ATOM 464 CD1 LEU A 32 -2.339 -11.004 3.422 1.00 0.00 C ATOM 465 CD2 LEU A 32 -3.279 -9.670 5.312 1.00 0.00 C ATOM 0 H LEU A 32 -6.500 -12.026 5.385 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.033 -10.889 3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.575 -11.868 5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.703 -13.041 4.917 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.101 -11.440 5.494 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.493 -10.318 3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.013 -11.999 3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.118 -10.654 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.418 -9.005 5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.084 -9.287 4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.617 -9.720 6.347 1.00 0.00 H new ATOM 477 N ARG A 33 -5.586 -14.041 2.808 1.00 0.00 N ATOM 478 CA ARG A 33 -5.429 -15.117 1.835 1.00 0.00 C ATOM 479 C ARG A 33 -6.557 -15.112 0.803 1.00 0.00 C ATOM 480 O ARG A 33 -6.722 -16.073 0.052 1.00 0.00 O ATOM 481 CB ARG A 33 -5.383 -16.471 2.547 1.00 0.00 C ATOM 482 CG ARG A 33 -6.684 -16.838 3.243 1.00 0.00 C ATOM 483 CD ARG A 33 -7.022 -18.308 3.054 1.00 0.00 C ATOM 484 NE ARG A 33 -7.795 -18.841 4.172 1.00 0.00 N ATOM 485 CZ ARG A 33 -7.926 -20.141 4.430 1.00 0.00 C ATOM 486 NH1 ARG A 33 -7.335 -21.042 3.655 1.00 0.00 N ATOM 487 NH2 ARG A 33 -8.649 -20.541 5.467 1.00 0.00 N ATOM 0 H ARG A 33 -6.277 -14.226 3.535 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.489 -14.951 1.308 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.138 -17.246 1.820 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.579 -16.458 3.282 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.604 -16.616 4.307 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.494 -16.224 2.850 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.587 -18.434 2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.101 -18.880 2.945 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.262 -18.179 4.792 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.777 -20.740 2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.439 -22.036 3.858 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.105 -19.853 6.067 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.750 -21.537 5.665 1.00 0.00 H new ATOM 501 N ALA A 34 -7.334 -14.031 0.767 1.00 0.00 N ATOM 502 CA ALA A 34 -8.440 -13.924 -0.179 1.00 0.00 C ATOM 503 C ALA A 34 -8.670 -12.477 -0.603 1.00 0.00 C ATOM 504 O ALA A 34 -8.691 -11.570 0.229 1.00 0.00 O ATOM 505 CB ALA A 34 -9.707 -14.507 0.427 1.00 0.00 C ATOM 0 H ALA A 34 -7.219 -13.222 1.378 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.178 -14.494 -1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.525 -14.421 -0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.545 -15.557 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.961 -13.961 1.335 1.00 0.00 H new ATOM 511 N ALA A 35 -8.851 -12.271 -1.905 1.00 0.00 N ATOM 512 CA ALA A 35 -9.088 -10.936 -2.443 1.00 0.00 C ATOM 513 C ALA A 35 -10.581 -10.630 -2.494 1.00 0.00 C ATOM 514 O ALA A 35 -11.407 -11.477 -2.153 1.00 0.00 O ATOM 515 CB ALA A 35 -8.470 -10.808 -3.829 1.00 0.00 C ATOM 0 H ALA A 35 -8.838 -13.012 -2.606 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.615 -10.210 -1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.654 -9.807 -4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.396 -10.981 -3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.917 -11.545 -4.496 1.00 0.00 H new ATOM 521 N LEU A 36 -10.924 -9.418 -2.920 1.00 0.00 N ATOM 522 CA LEU A 36 -12.322 -9.014 -3.010 1.00 0.00 C ATOM 523 C LEU A 36 -12.861 -9.226 -4.420 1.00 0.00 C ATOM 524 O LEU A 36 -13.726 -10.072 -4.644 1.00 0.00 O ATOM 525 CB LEU A 36 -12.473 -7.548 -2.606 1.00 0.00 C ATOM 526 CG LEU A 36 -11.841 -7.178 -1.263 1.00 0.00 C ATOM 527 CD1 LEU A 36 -10.394 -6.745 -1.452 1.00 0.00 C ATOM 528 CD2 LEU A 36 -12.645 -6.081 -0.581 1.00 0.00 C ATOM 0 H LEU A 36 -10.256 -8.702 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.901 -9.635 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.029 -6.925 -3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.535 -7.304 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.851 -8.060 -0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.962 -6.486 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.825 -7.562 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.357 -5.877 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.182 -5.830 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.667 -5.197 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.663 -6.430 -0.409 1.00 0.00 H new ATOM 540 N THR A 37 -12.339 -8.457 -5.366 1.00 0.00 N ATOM 541 CA THR A 37 -12.761 -8.563 -6.760 1.00 0.00 C ATOM 542 C THR A 37 -12.030 -7.543 -7.626 1.00 0.00 C ATOM 543 O THR A 37 -11.500 -6.553 -7.122 1.00 0.00 O ATOM 544 CB THR A 37 -14.276 -8.363 -6.882 1.00 0.00 C ATOM 545 OG1 THR A 37 -14.804 -7.774 -5.704 1.00 0.00 O ATOM 546 CG2 THR A 37 -15.030 -9.653 -7.136 1.00 0.00 C ATOM 0 H THR A 37 -11.622 -7.752 -5.195 1.00 0.00 H new ATOM 0 HA THR A 37 -12.509 -9.563 -7.112 1.00 0.00 H new ATOM 0 HB THR A 37 -14.413 -7.707 -7.742 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.677 -7.375 -5.901 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.097 -9.442 -7.212 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.681 -10.101 -8.067 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.855 -10.345 -6.312 1.00 0.00 H new ATOM 554 N SER A 38 -12.009 -7.788 -8.934 1.00 0.00 N ATOM 555 CA SER A 38 -11.345 -6.886 -9.870 1.00 0.00 C ATOM 556 C SER A 38 -11.862 -5.461 -9.701 1.00 0.00 C ATOM 557 O SER A 38 -11.087 -4.505 -9.672 1.00 0.00 O ATOM 558 CB SER A 38 -11.565 -7.355 -11.308 1.00 0.00 C ATOM 559 OG SER A 38 -12.761 -8.108 -11.423 1.00 0.00 O ATOM 0 H SER A 38 -12.443 -8.602 -9.369 1.00 0.00 H new ATOM 0 HA SER A 38 -10.276 -6.897 -9.655 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.610 -6.492 -11.972 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.718 -7.961 -11.630 1.00 0.00 H new ATOM 0 HG SER A 38 -12.879 -8.394 -12.353 1.00 0.00 H new ATOM 565 N PHE A 39 -13.179 -5.332 -9.581 1.00 0.00 N ATOM 566 CA PHE A 39 -13.806 -4.029 -9.405 1.00 0.00 C ATOM 567 C PHE A 39 -13.590 -3.521 -7.982 1.00 0.00 C ATOM 568 O PHE A 39 -13.440 -2.321 -7.756 1.00 0.00 O ATOM 569 CB PHE A 39 -15.303 -4.116 -9.712 1.00 0.00 C ATOM 570 CG PHE A 39 -15.740 -3.215 -10.832 1.00 0.00 C ATOM 571 CD1 PHE A 39 -15.662 -3.639 -12.149 1.00 0.00 C ATOM 572 CD2 PHE A 39 -16.228 -1.946 -10.569 1.00 0.00 C ATOM 573 CE1 PHE A 39 -16.061 -2.814 -13.182 1.00 0.00 C ATOM 574 CE2 PHE A 39 -16.630 -1.115 -11.598 1.00 0.00 C ATOM 575 CZ PHE A 39 -16.547 -1.550 -12.906 1.00 0.00 C ATOM 0 H PHE A 39 -13.832 -6.115 -9.603 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.345 -3.326 -10.099 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -15.554 -5.146 -9.966 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.865 -3.863 -8.813 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -15.285 -4.626 -12.370 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -16.295 -1.601 -9.548 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -15.993 -3.156 -14.204 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -17.008 -0.127 -11.379 1.00 0.00 H new ATOM 0 HZ PHE A 39 -16.861 -0.903 -13.712 1.00 0.00 H new ATOM 585 N GLN A 40 -13.576 -4.447 -7.028 1.00 0.00 N ATOM 586 CA GLN A 40 -13.377 -4.099 -5.627 1.00 0.00 C ATOM 587 C GLN A 40 -12.035 -3.407 -5.421 1.00 0.00 C ATOM 588 O GLN A 40 -11.973 -2.288 -4.911 1.00 0.00 O ATOM 589 CB GLN A 40 -13.466 -5.349 -4.750 1.00 0.00 C ATOM 590 CG GLN A 40 -14.833 -5.554 -4.110 1.00 0.00 C ATOM 591 CD GLN A 40 -15.979 -5.299 -5.073 1.00 0.00 C ATOM 592 OE1 GLN A 40 -15.898 -5.631 -6.256 1.00 0.00 O ATOM 593 NE2 GLN A 40 -17.054 -4.705 -4.569 1.00 0.00 N ATOM 0 H GLN A 40 -13.700 -5.445 -7.201 1.00 0.00 H new ATOM 0 HA GLN A 40 -14.167 -3.406 -5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.223 -6.223 -5.354 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.713 -5.285 -3.964 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.903 -6.574 -3.732 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.931 -4.889 -3.252 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -17.079 -4.447 -3.583 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.855 -4.507 -5.168 1.00 0.00 H new ATOM 602 N VAL A 41 -10.962 -4.078 -5.823 1.00 0.00 N ATOM 603 CA VAL A 41 -9.620 -3.527 -5.684 1.00 0.00 C ATOM 604 C VAL A 41 -9.491 -2.207 -6.437 1.00 0.00 C ATOM 605 O VAL A 41 -8.775 -1.302 -6.008 1.00 0.00 O ATOM 606 CB VAL A 41 -8.553 -4.512 -6.201 1.00 0.00 C ATOM 607 CG1 VAL A 41 -7.154 -3.974 -5.938 1.00 0.00 C ATOM 608 CG2 VAL A 41 -8.734 -5.880 -5.561 1.00 0.00 C ATOM 0 H VAL A 41 -10.996 -5.005 -6.248 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.454 -3.353 -4.621 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.678 -4.620 -7.278 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.415 -4.684 -6.310 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.029 -3.019 -6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.014 -3.833 -4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.972 -6.562 -5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.638 -5.791 -4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.722 -6.269 -5.807 1.00 0.00 H new ATOM 618 N ALA A 42 -10.192 -2.102 -7.563 1.00 0.00 N ATOM 619 CA ALA A 42 -10.158 -0.893 -8.376 1.00 0.00 C ATOM 620 C ALA A 42 -10.767 0.289 -7.629 1.00 0.00 C ATOM 621 O ALA A 42 -10.298 1.421 -7.754 1.00 0.00 O ATOM 622 CB ALA A 42 -10.886 -1.122 -9.692 1.00 0.00 C ATOM 0 H ALA A 42 -10.790 -2.841 -7.932 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.115 -0.656 -8.587 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.853 -0.211 -10.289 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.403 -1.932 -10.239 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.924 -1.387 -9.492 1.00 0.00 H new ATOM 628 N GLN A 43 -11.811 0.021 -6.851 1.00 0.00 N ATOM 629 CA GLN A 43 -12.480 1.065 -6.083 1.00 0.00 C ATOM 630 C GLN A 43 -11.491 1.768 -5.162 1.00 0.00 C ATOM 631 O GLN A 43 -11.326 2.986 -5.226 1.00 0.00 O ATOM 632 CB GLN A 43 -13.627 0.472 -5.263 1.00 0.00 C ATOM 633 CG GLN A 43 -14.853 0.126 -6.093 1.00 0.00 C ATOM 634 CD GLN A 43 -15.645 1.353 -6.498 1.00 0.00 C ATOM 635 OE1 GLN A 43 -16.586 1.753 -5.813 1.00 0.00 O ATOM 636 NE2 GLN A 43 -15.270 1.957 -7.621 1.00 0.00 N ATOM 0 H GLN A 43 -12.212 -0.910 -6.736 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.887 1.796 -6.782 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.275 -0.428 -4.758 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -13.913 1.182 -4.487 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -14.542 -0.413 -6.988 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.496 -0.546 -5.524 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -14.484 1.592 -8.159 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -15.768 2.786 -7.945 1.00 0.00 H new ATOM 645 N TYR A 44 -10.830 0.990 -4.313 1.00 0.00 N ATOM 646 CA TYR A 44 -9.847 1.532 -3.383 1.00 0.00 C ATOM 647 C TYR A 44 -8.715 2.218 -4.142 1.00 0.00 C ATOM 648 O TYR A 44 -8.170 3.228 -3.692 1.00 0.00 O ATOM 649 CB TYR A 44 -9.292 0.410 -2.499 1.00 0.00 C ATOM 650 CG TYR A 44 -8.150 0.832 -1.598 1.00 0.00 C ATOM 651 CD1 TYR A 44 -8.022 2.146 -1.165 1.00 0.00 C ATOM 652 CD2 TYR A 44 -7.200 -0.093 -1.180 1.00 0.00 C ATOM 653 CE1 TYR A 44 -6.979 2.526 -0.342 1.00 0.00 C ATOM 654 CE2 TYR A 44 -6.155 0.280 -0.357 1.00 0.00 C ATOM 655 CZ TYR A 44 -6.049 1.590 0.060 1.00 0.00 C ATOM 656 OH TYR A 44 -5.009 1.966 0.879 1.00 0.00 O ATOM 0 H TYR A 44 -10.957 -0.020 -4.250 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.334 2.274 -2.750 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.100 0.017 -1.882 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.953 -0.406 -3.138 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.749 2.882 -1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.280 -1.120 -1.504 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.892 3.552 -0.015 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.425 -0.451 -0.042 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.311 1.967 1.811 1.00 0.00 H new ATOM 666 N ARG A 45 -8.373 1.663 -5.301 1.00 0.00 N ATOM 667 CA ARG A 45 -7.312 2.216 -6.133 1.00 0.00 C ATOM 668 C ARG A 45 -7.656 3.633 -6.578 1.00 0.00 C ATOM 669 O ARG A 45 -6.780 4.493 -6.678 1.00 0.00 O ATOM 670 CB ARG A 45 -7.084 1.323 -7.356 1.00 0.00 C ATOM 671 CG ARG A 45 -5.617 1.123 -7.700 1.00 0.00 C ATOM 672 CD ARG A 45 -5.268 -0.350 -7.833 1.00 0.00 C ATOM 673 NE ARG A 45 -6.199 -1.054 -8.714 1.00 0.00 N ATOM 674 CZ ARG A 45 -6.160 -2.366 -8.936 1.00 0.00 C ATOM 675 NH1 ARG A 45 -5.239 -3.120 -8.347 1.00 0.00 N ATOM 676 NH2 ARG A 45 -7.044 -2.927 -9.750 1.00 0.00 N ATOM 0 H ARG A 45 -8.817 0.829 -5.685 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.397 2.254 -5.542 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.542 0.350 -7.175 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.593 1.761 -8.215 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.389 1.637 -8.634 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.997 1.576 -6.927 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.255 -0.449 -8.222 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.278 -0.816 -6.848 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.920 -0.508 -9.186 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.556 -2.694 -7.720 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.215 -4.125 -8.521 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.754 -2.353 -10.206 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.014 -3.932 -9.920 1.00 0.00 H new ATOM 690 N ASN A 46 -8.936 3.866 -6.846 1.00 0.00 N ATOM 691 CA ASN A 46 -9.402 5.178 -7.283 1.00 0.00 C ATOM 692 C ASN A 46 -9.420 6.168 -6.121 1.00 0.00 C ATOM 693 O ASN A 46 -9.257 7.372 -6.320 1.00 0.00 O ATOM 694 CB ASN A 46 -10.801 5.062 -7.895 1.00 0.00 C ATOM 695 CG ASN A 46 -10.785 5.212 -9.404 1.00 0.00 C ATOM 696 OD1 ASN A 46 -10.535 6.296 -9.930 1.00 0.00 O ATOM 697 ND2 ASN A 46 -11.055 4.119 -10.109 1.00 0.00 N ATOM 0 H ASN A 46 -9.671 3.163 -6.768 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.710 5.551 -8.038 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.230 4.095 -7.633 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.448 5.826 -7.463 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.061 4.158 -11.128 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.257 3.241 -9.631 1.00 0.00 H new ATOM 704 N ILE A 47 -9.618 5.657 -4.909 1.00 0.00 N ATOM 705 CA ILE A 47 -9.654 6.507 -3.722 1.00 0.00 C ATOM 706 C ILE A 47 -8.366 7.315 -3.594 1.00 0.00 C ATOM 707 O ILE A 47 -8.389 8.546 -3.628 1.00 0.00 O ATOM 708 CB ILE A 47 -9.866 5.679 -2.437 1.00 0.00 C ATOM 709 CG1 ILE A 47 -11.120 4.813 -2.569 1.00 0.00 C ATOM 710 CG2 ILE A 47 -9.973 6.592 -1.222 1.00 0.00 C ATOM 711 CD1 ILE A 47 -11.414 3.977 -1.343 1.00 0.00 C ATOM 0 H ILE A 47 -9.755 4.664 -4.723 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.498 7.187 -3.842 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.004 5.027 -2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.976 5.457 -2.772 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.006 4.153 -3.429 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.122 5.989 -0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.056 7.172 -1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.818 7.269 -1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.317 3.390 -1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.576 3.307 -1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.561 4.631 -0.483 1.00 0.00 H new ATOM 723 N LEU A 48 -7.242 6.619 -3.464 1.00 0.00 N ATOM 724 CA LEU A 48 -5.951 7.287 -3.349 1.00 0.00 C ATOM 725 C LEU A 48 -5.636 8.037 -4.636 1.00 0.00 C ATOM 726 O LEU A 48 -5.049 9.119 -4.613 1.00 0.00 O ATOM 727 CB LEU A 48 -4.842 6.274 -3.046 1.00 0.00 C ATOM 728 CG LEU A 48 -5.159 5.245 -1.954 1.00 0.00 C ATOM 729 CD1 LEU A 48 -3.880 4.805 -1.262 1.00 0.00 C ATOM 730 CD2 LEU A 48 -6.142 5.807 -0.937 1.00 0.00 C ATOM 0 H LEU A 48 -7.198 5.600 -3.436 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.002 7.998 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.604 5.739 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.946 6.821 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.623 4.380 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.118 4.074 -0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.208 4.355 -1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.396 5.670 -0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.347 5.055 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.713 6.692 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.071 6.078 -1.440 1.00 0.00 H new ATOM 742 N ASN A 49 -6.041 7.451 -5.756 1.00 0.00 N ATOM 743 CA ASN A 49 -5.818 8.055 -7.061 1.00 0.00 C ATOM 744 C ASN A 49 -6.518 9.409 -7.150 1.00 0.00 C ATOM 745 O ASN A 49 -5.947 10.387 -7.633 1.00 0.00 O ATOM 746 CB ASN A 49 -6.328 7.122 -8.160 1.00 0.00 C ATOM 747 CG ASN A 49 -5.851 7.537 -9.534 1.00 0.00 C ATOM 748 OD1 ASN A 49 -4.849 7.029 -10.038 1.00 0.00 O ATOM 749 ND2 ASN A 49 -6.569 8.465 -10.147 1.00 0.00 N ATOM 0 H ASN A 49 -6.527 6.555 -5.785 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.748 8.212 -7.197 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.994 6.105 -7.954 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.418 7.109 -8.145 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.299 8.788 -11.076 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.392 8.857 -9.690 1.00 0.00 H new ATOM 756 N ALA A 50 -7.757 9.455 -6.672 1.00 0.00 N ATOM 757 CA ALA A 50 -8.544 10.685 -6.683 1.00 0.00 C ATOM 758 C ALA A 50 -7.844 11.787 -5.898 1.00 0.00 C ATOM 759 O ALA A 50 -8.019 12.973 -6.178 1.00 0.00 O ATOM 760 CB ALA A 50 -9.933 10.434 -6.118 1.00 0.00 C ATOM 0 H ALA A 50 -8.240 8.652 -6.270 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.642 11.014 -7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.505 11.362 -6.134 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.442 9.683 -6.723 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.849 10.077 -5.092 1.00 0.00 H new ATOM 766 N SER A 51 -7.049 11.389 -4.913 1.00 0.00 N ATOM 767 CA SER A 51 -6.314 12.341 -4.090 1.00 0.00 C ATOM 768 C SER A 51 -5.217 13.017 -4.909 1.00 0.00 C ATOM 769 O SER A 51 -4.878 14.177 -4.682 1.00 0.00 O ATOM 770 CB SER A 51 -5.706 11.632 -2.875 1.00 0.00 C ATOM 771 OG SER A 51 -6.426 11.938 -1.693 1.00 0.00 O ATOM 0 H SER A 51 -6.897 10.412 -4.664 1.00 0.00 H new ATOM 0 HA SER A 51 -7.008 13.105 -3.740 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.711 10.554 -3.039 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.665 11.932 -2.758 1.00 0.00 H new ATOM 0 HG SER A 51 -6.020 11.472 -0.933 1.00 0.00 H new ATOM 777 N LEU A 52 -4.658 12.269 -5.852 1.00 0.00 N ATOM 778 CA LEU A 52 -3.584 12.770 -6.707 1.00 0.00 C ATOM 779 C LEU A 52 -4.052 13.916 -7.606 1.00 0.00 C ATOM 780 O LEU A 52 -3.444 14.986 -7.619 1.00 0.00 O ATOM 781 CB LEU A 52 -3.022 11.627 -7.559 1.00 0.00 C ATOM 782 CG LEU A 52 -2.969 10.266 -6.860 1.00 0.00 C ATOM 783 CD1 LEU A 52 -2.212 9.256 -7.702 1.00 0.00 C ATOM 784 CD2 LEU A 52 -2.327 10.394 -5.488 1.00 0.00 C ATOM 0 H LEU A 52 -4.932 11.306 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.802 13.164 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.629 11.533 -8.460 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.015 11.894 -7.879 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.992 9.911 -6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.187 8.297 -7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.711 9.137 -8.664 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.193 9.608 -7.863 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.298 9.416 -5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.312 10.775 -5.596 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.910 11.082 -4.876 1.00 0.00 H new ATOM 796 N GLN A 53 -5.121 13.689 -8.367 1.00 0.00 N ATOM 797 CA GLN A 53 -5.649 14.714 -9.278 1.00 0.00 C ATOM 798 C GLN A 53 -5.789 16.067 -8.588 1.00 0.00 C ATOM 799 O GLN A 53 -5.746 17.111 -9.239 1.00 0.00 O ATOM 800 CB GLN A 53 -7.008 14.308 -9.872 1.00 0.00 C ATOM 801 CG GLN A 53 -7.811 13.324 -9.036 1.00 0.00 C ATOM 802 CD GLN A 53 -7.996 11.999 -9.742 1.00 0.00 C ATOM 803 OE1 GLN A 53 -9.110 11.487 -9.854 1.00 0.00 O ATOM 804 NE2 GLN A 53 -6.897 11.438 -10.222 1.00 0.00 N ATOM 0 H GLN A 53 -5.639 12.811 -8.374 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.923 14.802 -10.086 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.606 15.208 -10.019 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.841 13.872 -10.857 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.306 13.160 -8.084 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.787 13.753 -8.809 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.995 11.900 -10.105 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.952 10.543 -10.709 1.00 0.00 H new ATOM 813 N VAL A 54 -5.962 16.048 -7.275 1.00 0.00 N ATOM 814 CA VAL A 54 -6.115 17.283 -6.512 1.00 0.00 C ATOM 815 C VAL A 54 -4.811 17.680 -5.823 1.00 0.00 C ATOM 816 O VAL A 54 -4.816 18.422 -4.842 1.00 0.00 O ATOM 817 CB VAL A 54 -7.243 17.181 -5.463 1.00 0.00 C ATOM 818 CG1 VAL A 54 -8.579 17.548 -6.088 1.00 0.00 C ATOM 819 CG2 VAL A 54 -7.306 15.788 -4.853 1.00 0.00 C ATOM 0 H VAL A 54 -6.000 15.196 -6.715 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.385 18.055 -7.232 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.023 17.887 -4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.365 17.472 -5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.536 18.570 -6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.795 16.866 -6.910 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.110 15.749 -4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.495 15.055 -5.638 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.358 15.561 -4.366 1.00 0.00 H new ATOM 829 N ASP A 55 -3.695 17.184 -6.352 1.00 0.00 N ATOM 830 CA ASP A 55 -2.380 17.489 -5.801 1.00 0.00 C ATOM 831 C ASP A 55 -1.767 18.695 -6.507 1.00 0.00 C ATOM 832 O ASP A 55 -2.295 19.170 -7.513 1.00 0.00 O ATOM 833 CB ASP A 55 -1.454 16.278 -5.938 1.00 0.00 C ATOM 834 CG ASP A 55 -0.306 16.311 -4.948 1.00 0.00 C ATOM 835 OD1 ASP A 55 -0.427 17.010 -3.920 1.00 0.00 O ATOM 836 OD2 ASP A 55 0.714 15.636 -5.201 1.00 0.00 O ATOM 0 H ASP A 55 -3.677 16.567 -7.164 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.499 17.728 -4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.031 15.365 -5.791 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.055 16.243 -6.952 1.00 0.00 H new ATOM 841 N ARG A 56 -0.652 19.188 -5.978 1.00 0.00 N ATOM 842 CA ARG A 56 0.027 20.339 -6.562 1.00 0.00 C ATOM 843 C ARG A 56 1.204 19.899 -7.429 1.00 0.00 C ATOM 844 O ARG A 56 1.354 20.350 -8.563 1.00 0.00 O ATOM 845 CB ARG A 56 0.513 21.284 -5.460 1.00 0.00 C ATOM 846 CG ARG A 56 -0.423 22.456 -5.208 1.00 0.00 C ATOM 847 CD ARG A 56 -1.063 22.373 -3.832 1.00 0.00 C ATOM 848 NE ARG A 56 -1.974 21.237 -3.719 1.00 0.00 N ATOM 849 CZ ARG A 56 -2.424 20.757 -2.562 1.00 0.00 C ATOM 850 NH1 ARG A 56 -2.050 21.313 -1.416 1.00 0.00 N ATOM 851 NH2 ARG A 56 -3.249 19.720 -2.549 1.00 0.00 N ATOM 0 H ARG A 56 -0.200 18.809 -5.146 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.687 20.866 -7.195 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.632 20.720 -4.535 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.497 21.667 -5.729 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.131 23.391 -5.297 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.201 22.472 -5.972 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.284 22.289 -3.074 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.607 23.295 -3.629 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.284 20.784 -4.579 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.415 22.111 -1.420 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.397 20.942 -0.532 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.540 19.289 -3.426 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.593 19.353 -1.662 1.00 0.00 H new ATOM 865 N ASP A 57 2.036 19.017 -6.884 1.00 0.00 N ATOM 866 CA ASP A 57 3.201 18.520 -7.607 1.00 0.00 C ATOM 867 C ASP A 57 2.781 17.618 -8.765 1.00 0.00 C ATOM 868 O ASP A 57 2.443 16.452 -8.567 1.00 0.00 O ATOM 869 CB ASP A 57 4.127 17.756 -6.657 1.00 0.00 C ATOM 870 CG ASP A 57 5.552 18.273 -6.700 1.00 0.00 C ATOM 871 OD1 ASP A 57 5.736 19.495 -6.874 1.00 0.00 O ATOM 872 OD2 ASP A 57 6.485 17.454 -6.560 1.00 0.00 O ATOM 0 H ASP A 57 1.925 18.632 -5.946 1.00 0.00 H new ATOM 0 HA ASP A 57 3.737 19.376 -8.016 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.745 17.836 -5.639 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.119 16.698 -6.919 1.00 0.00 H new ATOM 877 N ALA A 58 2.807 18.169 -9.976 1.00 0.00 N ATOM 878 CA ALA A 58 2.431 17.415 -11.166 1.00 0.00 C ATOM 879 C ALA A 58 3.429 16.297 -11.447 1.00 0.00 C ATOM 880 O ALA A 58 3.044 15.152 -11.682 1.00 0.00 O ATOM 881 CB ALA A 58 2.326 18.344 -12.367 1.00 0.00 C ATOM 0 H ALA A 58 3.084 19.134 -10.158 1.00 0.00 H new ATOM 0 HA ALA A 58 1.457 16.960 -10.984 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.045 17.768 -13.249 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.570 19.105 -12.174 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.289 18.825 -12.540 1.00 0.00 H new ATOM 887 N ALA A 59 4.715 16.638 -11.422 1.00 0.00 N ATOM 888 CA ALA A 59 5.770 15.663 -11.675 1.00 0.00 C ATOM 889 C ALA A 59 5.685 14.496 -10.699 1.00 0.00 C ATOM 890 O ALA A 59 5.879 13.340 -11.078 1.00 0.00 O ATOM 891 CB ALA A 59 7.134 16.330 -11.585 1.00 0.00 C ATOM 0 H ALA A 59 5.050 17.582 -11.229 1.00 0.00 H new ATOM 0 HA ALA A 59 5.634 15.270 -12.682 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.913 15.592 -11.776 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.199 17.126 -12.326 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.268 16.750 -10.588 1.00 0.00 H new ATOM 897 N ARG A 60 5.397 14.804 -9.439 1.00 0.00 N ATOM 898 CA ARG A 60 5.287 13.779 -8.407 1.00 0.00 C ATOM 899 C ARG A 60 3.979 13.007 -8.544 1.00 0.00 C ATOM 900 O ARG A 60 3.933 11.800 -8.312 1.00 0.00 O ATOM 901 CB ARG A 60 5.377 14.415 -7.018 1.00 0.00 C ATOM 902 CG ARG A 60 6.270 13.650 -6.055 1.00 0.00 C ATOM 903 CD ARG A 60 7.142 14.588 -5.236 1.00 0.00 C ATOM 904 NE ARG A 60 8.331 15.012 -5.971 1.00 0.00 N ATOM 905 CZ ARG A 60 9.417 15.523 -5.394 1.00 0.00 C ATOM 906 NH1 ARG A 60 9.467 15.676 -4.076 1.00 0.00 N ATOM 907 NH2 ARG A 60 10.455 15.882 -6.137 1.00 0.00 N ATOM 0 H ARG A 60 5.236 15.755 -9.108 1.00 0.00 H new ATOM 0 HA ARG A 60 6.114 13.080 -8.533 1.00 0.00 H new ATOM 0 HB2 ARG A 60 5.753 15.433 -7.118 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.375 14.485 -6.594 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.654 13.048 -5.387 1.00 0.00 H new ATOM 0 HG3 ARG A 60 6.902 12.960 -6.614 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.561 15.465 -4.949 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.444 14.090 -4.314 1.00 0.00 H new ATOM 0 HE ARG A 60 8.329 14.911 -6.986 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.671 15.402 -3.500 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.301 16.068 -3.639 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.421 15.767 -7.150 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.287 16.273 -5.696 1.00 0.00 H new ATOM 921 N SER A 61 2.918 13.712 -8.923 1.00 0.00 N ATOM 922 CA SER A 61 1.607 13.094 -9.091 1.00 0.00 C ATOM 923 C SER A 61 1.669 11.949 -10.099 1.00 0.00 C ATOM 924 O SER A 61 0.953 10.957 -9.971 1.00 0.00 O ATOM 925 CB SER A 61 0.584 14.134 -9.547 1.00 0.00 C ATOM 926 OG SER A 61 -0.738 13.640 -9.416 1.00 0.00 O ATOM 0 H SER A 61 2.940 14.713 -9.120 1.00 0.00 H new ATOM 0 HA SER A 61 1.299 12.689 -8.127 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.696 15.043 -8.956 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.773 14.404 -10.586 1.00 0.00 H new ATOM 0 HG SER A 61 -1.374 14.324 -9.713 1.00 0.00 H new ATOM 932 N ARG A 62 2.531 12.096 -11.099 1.00 0.00 N ATOM 933 CA ARG A 62 2.688 11.074 -12.127 1.00 0.00 C ATOM 934 C ARG A 62 3.354 9.827 -11.557 1.00 0.00 C ATOM 935 O ARG A 62 2.981 8.703 -11.895 1.00 0.00 O ATOM 936 CB ARG A 62 3.513 11.619 -13.295 1.00 0.00 C ATOM 937 CG ARG A 62 3.068 11.096 -14.650 1.00 0.00 C ATOM 938 CD ARG A 62 3.880 9.882 -15.076 1.00 0.00 C ATOM 939 NE ARG A 62 3.037 8.709 -15.296 1.00 0.00 N ATOM 940 CZ ARG A 62 3.454 7.599 -15.900 1.00 0.00 C ATOM 941 NH1 ARG A 62 4.702 7.505 -16.342 1.00 0.00 N ATOM 942 NH2 ARG A 62 2.621 6.580 -16.062 1.00 0.00 N ATOM 0 H ARG A 62 3.131 12.912 -11.220 1.00 0.00 H new ATOM 0 HA ARG A 62 1.696 10.801 -12.488 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.451 12.707 -13.297 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.561 11.360 -13.141 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.011 10.832 -14.609 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.171 11.884 -15.396 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.425 10.113 -15.991 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.623 9.656 -14.311 1.00 0.00 H new ATOM 0 HE ARG A 62 2.072 8.743 -14.967 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.347 8.286 -16.219 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.016 6.652 -16.804 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.661 6.647 -15.724 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.940 5.729 -16.525 1.00 0.00 H new ATOM 956 N ARG A 63 4.340 10.031 -10.690 1.00 0.00 N ATOM 957 CA ARG A 63 5.058 8.924 -10.072 1.00 0.00 C ATOM 958 C ARG A 63 4.106 8.030 -9.283 1.00 0.00 C ATOM 959 O ARG A 63 4.183 6.804 -9.359 1.00 0.00 O ATOM 960 CB ARG A 63 6.160 9.452 -9.152 1.00 0.00 C ATOM 961 CG ARG A 63 7.495 9.650 -9.853 1.00 0.00 C ATOM 962 CD ARG A 63 8.220 10.884 -9.339 1.00 0.00 C ATOM 963 NE ARG A 63 8.744 11.704 -10.428 1.00 0.00 N ATOM 964 CZ ARG A 63 9.713 11.310 -11.253 1.00 0.00 C ATOM 965 NH1 ARG A 63 10.264 10.111 -11.115 1.00 0.00 N ATOM 966 NH2 ARG A 63 10.130 12.118 -12.217 1.00 0.00 N ATOM 0 H ARG A 63 4.660 10.955 -10.399 1.00 0.00 H new ATOM 0 HA ARG A 63 5.511 8.330 -10.866 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.840 10.402 -8.723 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.294 8.757 -8.323 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.120 8.770 -9.701 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.332 9.744 -10.927 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.537 11.479 -8.733 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.040 10.578 -8.689 1.00 0.00 H new ATOM 0 HE ARG A 63 8.345 12.633 -10.565 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.946 9.486 -10.374 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.006 9.814 -11.749 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.709 13.041 -12.327 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.872 11.817 -12.849 1.00 0.00 H new ATOM 980 N LEU A 64 3.209 8.653 -8.525 1.00 0.00 N ATOM 981 CA LEU A 64 2.240 7.911 -7.722 1.00 0.00 C ATOM 982 C LEU A 64 1.209 7.231 -8.616 1.00 0.00 C ATOM 983 O LEU A 64 0.825 6.086 -8.379 1.00 0.00 O ATOM 984 CB LEU A 64 1.529 8.831 -6.717 1.00 0.00 C ATOM 985 CG LEU A 64 2.250 10.140 -6.381 1.00 0.00 C ATOM 986 CD1 LEU A 64 1.526 10.876 -5.262 1.00 0.00 C ATOM 987 CD2 LEU A 64 3.700 9.876 -5.995 1.00 0.00 C ATOM 0 H LEU A 64 3.132 9.667 -8.449 1.00 0.00 H new ATOM 0 HA LEU A 64 2.788 7.150 -7.167 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.542 9.073 -7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.375 8.276 -5.792 1.00 0.00 H new ATOM 0 HG LEU A 64 2.244 10.770 -7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.052 11.804 -5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.507 11.104 -5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.499 10.248 -4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.192 10.820 -5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.731 9.224 -5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.216 9.395 -6.826 1.00 0.00 H new ATOM 999 N MET A 65 0.764 7.948 -9.642 1.00 0.00 N ATOM 1000 CA MET A 65 -0.225 7.419 -10.572 1.00 0.00 C ATOM 1001 C MET A 65 0.286 6.151 -11.249 1.00 0.00 C ATOM 1002 O MET A 65 -0.468 5.200 -11.454 1.00 0.00 O ATOM 1003 CB MET A 65 -0.580 8.475 -11.619 1.00 0.00 C ATOM 1004 CG MET A 65 -1.455 9.591 -11.071 1.00 0.00 C ATOM 1005 SD MET A 65 -3.011 9.764 -11.966 1.00 0.00 S ATOM 1006 CE MET A 65 -3.993 10.674 -10.776 1.00 0.00 C ATOM 0 H MET A 65 1.073 8.897 -9.850 1.00 0.00 H new ATOM 0 HA MET A 65 -1.123 7.163 -10.009 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.339 8.905 -12.018 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.094 7.994 -12.451 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.666 9.398 -10.019 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.907 10.532 -11.119 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.845 11.131 -11.280 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.351 9.994 -10.003 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.382 11.452 -10.319 1.00 0.00 H new ATOM 1016 N ALA A 66 1.572 6.138 -11.582 1.00 0.00 N ATOM 1017 CA ALA A 66 2.179 4.978 -12.220 1.00 0.00 C ATOM 1018 C ALA A 66 2.516 3.918 -11.182 1.00 0.00 C ATOM 1019 O ALA A 66 2.395 2.720 -11.439 1.00 0.00 O ATOM 1020 CB ALA A 66 3.426 5.386 -12.991 1.00 0.00 C ATOM 0 H ALA A 66 2.212 6.916 -11.421 1.00 0.00 H new ATOM 0 HA ALA A 66 1.462 4.556 -12.925 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.867 4.507 -13.461 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.158 6.112 -13.758 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.148 5.831 -12.306 1.00 0.00 H new ATOM 1026 N LYS A 67 2.927 4.372 -10.003 1.00 0.00 N ATOM 1027 CA LYS A 67 3.267 3.467 -8.915 1.00 0.00 C ATOM 1028 C LYS A 67 2.016 2.763 -8.403 1.00 0.00 C ATOM 1029 O LYS A 67 2.074 1.624 -7.939 1.00 0.00 O ATOM 1030 CB LYS A 67 3.943 4.236 -7.777 1.00 0.00 C ATOM 1031 CG LYS A 67 5.424 4.484 -8.006 1.00 0.00 C ATOM 1032 CD LYS A 67 5.966 5.536 -7.053 1.00 0.00 C ATOM 1033 CE LYS A 67 6.578 4.902 -5.815 1.00 0.00 C ATOM 1034 NZ LYS A 67 7.389 5.876 -5.034 1.00 0.00 N ATOM 0 H LYS A 67 3.032 5.361 -9.778 1.00 0.00 H new ATOM 0 HA LYS A 67 3.962 2.716 -9.291 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.439 5.194 -7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.816 3.680 -6.848 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.975 3.553 -7.873 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.585 4.806 -9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.717 6.139 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.162 6.211 -6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.785 4.501 -5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.206 4.062 -6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.789 5.404 -4.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.161 6.240 -5.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.785 6.666 -4.730 1.00 0.00 H new ATOM 1048 N LEU A 68 0.882 3.451 -8.503 1.00 0.00 N ATOM 1049 CA LEU A 68 -0.393 2.901 -8.063 1.00 0.00 C ATOM 1050 C LEU A 68 -0.922 1.895 -9.080 1.00 0.00 C ATOM 1051 O LEU A 68 -1.662 0.974 -8.732 1.00 0.00 O ATOM 1052 CB LEU A 68 -1.409 4.025 -7.856 1.00 0.00 C ATOM 1053 CG LEU A 68 -2.742 3.589 -7.244 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -3.166 4.552 -6.144 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -3.818 3.500 -8.318 1.00 0.00 C ATOM 0 H LEU A 68 0.822 4.394 -8.887 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.238 2.386 -7.115 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.963 4.784 -7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.606 4.498 -8.818 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.611 2.600 -6.804 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.116 4.226 -5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.407 4.568 -5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.279 5.553 -6.560 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.759 3.189 -7.865 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.946 4.476 -8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.520 2.772 -9.072 1.00 0.00 H new ATOM 1067 N ALA A 69 -0.532 2.073 -10.340 1.00 0.00 N ATOM 1068 CA ALA A 69 -0.959 1.179 -11.408 1.00 0.00 C ATOM 1069 C ALA A 69 -0.591 -0.268 -11.088 1.00 0.00 C ATOM 1070 O ALA A 69 -1.236 -1.204 -11.560 1.00 0.00 O ATOM 1071 CB ALA A 69 -0.338 1.603 -12.730 1.00 0.00 C ATOM 0 H ALA A 69 0.080 2.830 -10.644 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.044 1.242 -11.493 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.665 0.926 -13.519 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.651 2.619 -12.970 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.748 1.568 -12.650 1.00 0.00 H new ATOM 1077 N ASP A 70 0.453 -0.439 -10.282 1.00 0.00 N ATOM 1078 CA ASP A 70 0.916 -1.766 -9.892 1.00 0.00 C ATOM 1079 C ASP A 70 0.531 -2.080 -8.444 1.00 0.00 C ATOM 1080 O ASP A 70 1.094 -2.985 -7.829 1.00 0.00 O ATOM 1081 CB ASP A 70 2.435 -1.866 -10.067 1.00 0.00 C ATOM 1082 CG ASP A 70 2.829 -2.878 -11.125 1.00 0.00 C ATOM 1083 OD1 ASP A 70 2.055 -3.063 -12.088 1.00 0.00 O ATOM 1084 OD2 ASP A 70 3.912 -3.486 -10.990 1.00 0.00 O ATOM 0 H ASP A 70 0.996 0.328 -9.885 1.00 0.00 H new ATOM 0 HA ASP A 70 0.432 -2.498 -10.538 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.832 -0.888 -10.338 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.890 -2.143 -9.116 1.00 0.00 H new ATOM 1089 N PHE A 71 -0.424 -1.321 -7.906 1.00 0.00 N ATOM 1090 CA PHE A 71 -0.885 -1.507 -6.529 1.00 0.00 C ATOM 1091 C PHE A 71 -1.007 -2.985 -6.164 1.00 0.00 C ATOM 1092 O PHE A 71 -0.220 -3.507 -5.374 1.00 0.00 O ATOM 1093 CB PHE A 71 -2.231 -0.809 -6.329 1.00 0.00 C ATOM 1094 CG PHE A 71 -2.684 -0.772 -4.898 1.00 0.00 C ATOM 1095 CD1 PHE A 71 -1.886 -0.203 -3.920 1.00 0.00 C ATOM 1096 CD2 PHE A 71 -3.910 -1.305 -4.532 1.00 0.00 C ATOM 1097 CE1 PHE A 71 -2.300 -0.166 -2.603 1.00 0.00 C ATOM 1098 CE2 PHE A 71 -4.330 -1.271 -3.216 1.00 0.00 C ATOM 1099 CZ PHE A 71 -3.524 -0.701 -2.250 1.00 0.00 C ATOM 0 H PHE A 71 -0.896 -0.567 -8.406 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.140 -1.063 -5.869 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.161 0.212 -6.705 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.987 -1.318 -6.927 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.928 0.217 -4.190 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.544 -1.752 -5.284 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.668 0.281 -1.850 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.287 -1.690 -2.943 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.850 -0.674 -1.221 1.00 0.00 H new ATOM 1109 N ALA A 72 -1.996 -3.650 -6.744 1.00 0.00 N ATOM 1110 CA ALA A 72 -2.223 -5.067 -6.481 1.00 0.00 C ATOM 1111 C ALA A 72 -1.634 -5.933 -7.589 1.00 0.00 C ATOM 1112 O ALA A 72 -2.127 -7.029 -7.861 1.00 0.00 O ATOM 1113 CB ALA A 72 -3.712 -5.343 -6.333 1.00 0.00 C ATOM 0 H ALA A 72 -2.655 -3.232 -7.401 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.720 -5.323 -5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.868 -6.404 -6.137 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.110 -4.759 -5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.227 -5.065 -7.253 1.00 0.00 H new ATOM 1119 N VAL A 73 -0.579 -5.437 -8.229 1.00 0.00 N ATOM 1120 CA VAL A 73 0.072 -6.170 -9.309 1.00 0.00 C ATOM 1121 C VAL A 73 0.577 -7.526 -8.827 1.00 0.00 C ATOM 1122 O VAL A 73 0.921 -7.691 -7.658 1.00 0.00 O ATOM 1123 CB VAL A 73 1.252 -5.373 -9.901 1.00 0.00 C ATOM 1124 CG1 VAL A 73 2.345 -5.176 -8.860 1.00 0.00 C ATOM 1125 CG2 VAL A 73 1.801 -6.073 -11.136 1.00 0.00 C ATOM 0 H VAL A 73 -0.158 -4.532 -8.019 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.678 -6.320 -10.085 1.00 0.00 H new ATOM 0 HB VAL A 73 0.888 -4.390 -10.199 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.168 -4.611 -9.299 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.942 -4.628 -8.009 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.709 -6.148 -8.526 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.633 -5.497 -11.541 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.148 -7.070 -10.865 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.016 -6.154 -11.888 1.00 0.00 H new ATOM 1135 N GLU A 74 0.622 -8.492 -9.739 1.00 0.00 N ATOM 1136 CA GLU A 74 1.089 -9.831 -9.406 1.00 0.00 C ATOM 1137 C GLU A 74 2.610 -9.857 -9.289 1.00 0.00 C ATOM 1138 O GLU A 74 3.314 -10.102 -10.269 1.00 0.00 O ATOM 1139 CB GLU A 74 0.629 -10.833 -10.466 1.00 0.00 C ATOM 1140 CG GLU A 74 -0.864 -11.118 -10.425 1.00 0.00 C ATOM 1141 CD GLU A 74 -1.701 -9.873 -10.641 1.00 0.00 C ATOM 1142 OE1 GLU A 74 -1.598 -9.270 -11.730 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -2.460 -9.501 -9.721 1.00 0.00 O ATOM 0 H GLU A 74 0.341 -8.372 -10.712 1.00 0.00 H new ATOM 0 HA GLU A 74 0.661 -10.112 -8.444 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.891 -10.451 -11.453 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.173 -11.768 -10.331 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.111 -11.854 -11.190 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.119 -11.561 -9.462 1.00 0.00 H new ATOM 1150 N GLN A 75 3.109 -9.604 -8.084 1.00 0.00 N ATOM 1151 CA GLN A 75 4.547 -9.598 -7.838 1.00 0.00 C ATOM 1152 C GLN A 75 4.884 -10.377 -6.573 1.00 0.00 C ATOM 1153 O GLN A 75 4.025 -10.599 -5.719 1.00 0.00 O ATOM 1154 CB GLN A 75 5.061 -8.161 -7.720 1.00 0.00 C ATOM 1155 CG GLN A 75 4.474 -7.399 -6.543 1.00 0.00 C ATOM 1156 CD GLN A 75 5.327 -6.215 -6.133 1.00 0.00 C ATOM 1157 OE1 GLN A 75 6.334 -6.369 -5.443 1.00 0.00 O ATOM 1158 NE2 GLN A 75 4.925 -5.022 -6.558 1.00 0.00 N ATOM 0 H GLN A 75 2.540 -9.400 -7.263 1.00 0.00 H new ATOM 0 HA GLN A 75 5.037 -10.082 -8.683 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.147 -8.179 -7.625 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.830 -7.625 -8.641 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.475 -7.050 -6.803 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.365 -8.075 -5.695 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.083 -4.941 -7.128 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.458 -4.187 -6.314 1.00 0.00 H new ATOM 1167 N GLU A 76 6.141 -10.793 -6.457 1.00 0.00 N ATOM 1168 CA GLU A 76 6.591 -11.551 -5.296 1.00 0.00 C ATOM 1169 C GLU A 76 7.043 -10.618 -4.176 1.00 0.00 C ATOM 1170 O GLU A 76 7.701 -9.607 -4.423 1.00 0.00 O ATOM 1171 CB GLU A 76 7.731 -12.493 -5.687 1.00 0.00 C ATOM 1172 CG GLU A 76 7.347 -13.963 -5.640 1.00 0.00 C ATOM 1173 CD GLU A 76 6.126 -14.273 -6.485 1.00 0.00 C ATOM 1174 OE1 GLU A 76 6.055 -13.779 -7.629 1.00 0.00 O ATOM 1175 OE2 GLU A 76 5.243 -15.012 -6.001 1.00 0.00 O ATOM 0 H GLU A 76 6.866 -10.618 -7.153 1.00 0.00 H new ATOM 0 HA GLU A 76 5.751 -12.142 -4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.067 -12.246 -6.694 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.576 -12.325 -5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.187 -14.566 -5.986 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.152 -14.251 -4.607 1.00 0.00 H new ATOM 1182 N VAL A 77 6.686 -10.967 -2.945 1.00 0.00 N ATOM 1183 CA VAL A 77 7.053 -10.167 -1.783 1.00 0.00 C ATOM 1184 C VAL A 77 8.204 -10.813 -1.020 1.00 0.00 C ATOM 1185 O VAL A 77 8.252 -12.033 -0.864 1.00 0.00 O ATOM 1186 CB VAL A 77 5.860 -9.987 -0.826 1.00 0.00 C ATOM 1187 CG1 VAL A 77 6.186 -8.961 0.247 1.00 0.00 C ATOM 1188 CG2 VAL A 77 4.611 -9.588 -1.596 1.00 0.00 C ATOM 0 H VAL A 77 6.141 -11.801 -2.726 1.00 0.00 H new ATOM 0 HA VAL A 77 7.363 -9.190 -2.154 1.00 0.00 H new ATOM 0 HB VAL A 77 5.665 -10.941 -0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.331 -8.847 0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.051 -9.296 0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.410 -8.003 -0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.779 -9.466 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.790 -8.648 -2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.367 -10.364 -2.321 1.00 0.00 H new ATOM 1198 N THR A 78 9.129 -9.988 -0.542 1.00 0.00 N ATOM 1199 CA THR A 78 10.279 -10.481 0.208 1.00 0.00 C ATOM 1200 C THR A 78 10.592 -9.561 1.378 1.00 0.00 C ATOM 1201 O THR A 78 9.755 -8.760 1.791 1.00 0.00 O ATOM 1202 CB THR A 78 11.514 -10.605 -0.698 1.00 0.00 C ATOM 1203 OG1 THR A 78 12.418 -9.534 -0.483 1.00 0.00 O ATOM 1204 CG2 THR A 78 11.187 -10.617 -2.167 1.00 0.00 C ATOM 0 H THR A 78 9.105 -8.975 -0.660 1.00 0.00 H new ATOM 0 HA THR A 78 10.025 -11.469 0.591 1.00 0.00 H new ATOM 0 HB THR A 78 11.958 -11.563 -0.426 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.195 -9.639 -1.071 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.107 -10.707 -2.744 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.536 -11.463 -2.388 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.680 -9.690 -2.435 1.00 0.00 H new ATOM 1212 N ALA A 79 11.809 -9.670 1.891 1.00 0.00 N ATOM 1213 CA ALA A 79 12.239 -8.834 2.998 1.00 0.00 C ATOM 1214 C ALA A 79 12.712 -7.481 2.485 1.00 0.00 C ATOM 1215 O ALA A 79 13.203 -7.370 1.362 1.00 0.00 O ATOM 1216 CB ALA A 79 13.333 -9.517 3.802 1.00 0.00 C ATOM 0 H ALA A 79 12.513 -10.328 1.558 1.00 0.00 H new ATOM 0 HA ALA A 79 11.387 -8.676 3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.637 -8.870 4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.957 -10.459 4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.190 -9.712 3.158 1.00 0.00 H new ATOM 1222 N GLY A 80 12.543 -6.453 3.304 1.00 0.00 N ATOM 1223 CA GLY A 80 12.938 -5.117 2.904 1.00 0.00 C ATOM 1224 C GLY A 80 11.763 -4.333 2.358 1.00 0.00 C ATOM 1225 O GLY A 80 11.694 -3.113 2.511 1.00 0.00 O ATOM 0 H GLY A 80 12.139 -6.520 4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.363 -4.591 3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.720 -5.179 2.147 1.00 0.00 H new ATOM 1229 N ASP A 81 10.825 -5.043 1.737 1.00 0.00 N ATOM 1230 CA ASP A 81 9.631 -4.418 1.187 1.00 0.00 C ATOM 1231 C ASP A 81 8.526 -4.405 2.240 1.00 0.00 C ATOM 1232 O ASP A 81 8.797 -4.589 3.427 1.00 0.00 O ATOM 1233 CB ASP A 81 9.171 -5.167 -0.066 1.00 0.00 C ATOM 1234 CG ASP A 81 8.910 -6.635 0.201 1.00 0.00 C ATOM 1235 OD1 ASP A 81 7.932 -6.945 0.912 1.00 0.00 O ATOM 1236 OD2 ASP A 81 9.682 -7.476 -0.307 1.00 0.00 O ATOM 0 H ASP A 81 10.871 -6.053 1.603 1.00 0.00 H new ATOM 0 HA ASP A 81 9.861 -3.390 0.906 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.262 -4.703 -0.450 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.930 -5.071 -0.842 1.00 0.00 H new ATOM 1241 N ARG A 82 7.285 -4.189 1.816 1.00 0.00 N ATOM 1242 CA ARG A 82 6.169 -4.161 2.754 1.00 0.00 C ATOM 1243 C ARG A 82 4.867 -4.596 2.096 1.00 0.00 C ATOM 1244 O ARG A 82 4.737 -4.583 0.872 1.00 0.00 O ATOM 1245 CB ARG A 82 6.002 -2.761 3.349 1.00 0.00 C ATOM 1246 CG ARG A 82 5.852 -1.663 2.310 1.00 0.00 C ATOM 1247 CD ARG A 82 7.166 -1.377 1.598 1.00 0.00 C ATOM 1248 NE ARG A 82 7.541 0.033 1.683 1.00 0.00 N ATOM 1249 CZ ARG A 82 8.147 0.578 2.736 1.00 0.00 C ATOM 1250 NH1 ARG A 82 8.447 -0.162 3.795 1.00 0.00 N ATOM 1251 NH2 ARG A 82 8.454 1.868 2.728 1.00 0.00 N ATOM 0 H ARG A 82 7.029 -4.033 0.841 1.00 0.00 H new ATOM 0 HA ARG A 82 6.400 -4.868 3.551 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.126 -2.755 3.998 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.865 -2.538 3.976 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.098 -1.955 1.579 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.494 -0.753 2.792 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.955 -1.989 2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.081 -1.667 0.551 1.00 0.00 H new ATOM 0 HE ARG A 82 7.326 0.635 0.889 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.214 -1.155 3.806 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.911 0.262 4.598 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.226 2.441 1.916 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.918 2.287 3.534 1.00 0.00 H new ATOM 1265 N VAL A 83 3.904 -4.975 2.928 1.00 0.00 N ATOM 1266 CA VAL A 83 2.599 -5.410 2.452 1.00 0.00 C ATOM 1267 C VAL A 83 1.521 -4.419 2.876 1.00 0.00 C ATOM 1268 O VAL A 83 1.383 -4.107 4.058 1.00 0.00 O ATOM 1269 CB VAL A 83 2.237 -6.808 2.998 1.00 0.00 C ATOM 1270 CG1 VAL A 83 0.854 -7.237 2.521 1.00 0.00 C ATOM 1271 CG2 VAL A 83 3.286 -7.829 2.589 1.00 0.00 C ATOM 0 H VAL A 83 4.005 -4.989 3.943 1.00 0.00 H new ATOM 0 HA VAL A 83 2.650 -5.459 1.364 1.00 0.00 H new ATOM 0 HB VAL A 83 2.217 -6.753 4.086 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.622 -8.225 2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.110 -6.521 2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.840 -7.272 1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.014 -8.808 2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.341 -7.878 1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.256 -7.534 2.989 1.00 0.00 H new ATOM 1281 N VAL A 84 0.753 -3.933 1.908 1.00 0.00 N ATOM 1282 CA VAL A 84 -0.313 -2.986 2.197 1.00 0.00 C ATOM 1283 C VAL A 84 -1.631 -3.723 2.419 1.00 0.00 C ATOM 1284 O VAL A 84 -2.071 -4.500 1.571 1.00 0.00 O ATOM 1285 CB VAL A 84 -0.461 -1.937 1.067 1.00 0.00 C ATOM 1286 CG1 VAL A 84 -1.581 -2.300 0.105 1.00 0.00 C ATOM 1287 CG2 VAL A 84 -0.683 -0.551 1.652 1.00 0.00 C ATOM 0 H VAL A 84 0.849 -4.178 0.923 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.049 -2.453 3.110 1.00 0.00 H new ATOM 0 HB VAL A 84 0.469 -1.932 0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.653 -1.540 -0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.370 -3.267 -0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.524 -2.353 0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.785 0.173 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.591 -0.552 2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.168 -0.280 2.277 1.00 0.00 H new ATOM 1297 N VAL A 85 -2.248 -3.489 3.567 1.00 0.00 N ATOM 1298 CA VAL A 85 -3.507 -4.144 3.898 1.00 0.00 C ATOM 1299 C VAL A 85 -4.672 -3.167 3.809 1.00 0.00 C ATOM 1300 O VAL A 85 -4.655 -2.108 4.435 1.00 0.00 O ATOM 1301 CB VAL A 85 -3.463 -4.764 5.308 1.00 0.00 C ATOM 1302 CG1 VAL A 85 -4.570 -5.792 5.469 1.00 0.00 C ATOM 1303 CG2 VAL A 85 -2.105 -5.395 5.578 1.00 0.00 C ATOM 0 H VAL A 85 -1.900 -2.853 4.284 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.655 -4.941 3.169 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.619 -3.969 6.037 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.526 -6.221 6.470 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.537 -5.311 5.323 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.443 -6.583 4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.097 -5.826 6.579 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.915 -6.178 4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.329 -4.633 5.505 1.00 0.00 H new ATOM 1313 N ILE A 86 -5.682 -3.528 3.022 1.00 0.00 N ATOM 1314 CA ILE A 86 -6.853 -2.677 2.846 1.00 0.00 C ATOM 1315 C ILE A 86 -7.706 -2.618 4.113 1.00 0.00 C ATOM 1316 O ILE A 86 -8.625 -1.804 4.210 1.00 0.00 O ATOM 1317 CB ILE A 86 -7.725 -3.151 1.669 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -8.164 -4.599 1.877 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -6.967 -3.006 0.358 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -9.252 -5.039 0.922 1.00 0.00 C ATOM 0 H ILE A 86 -5.712 -4.402 2.497 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.476 -1.677 2.629 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.617 -2.526 1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.300 -5.253 1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.518 -4.720 2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.596 -3.345 -0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.701 -1.960 0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.060 -3.609 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.516 -6.077 1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.131 -4.408 1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.894 -4.950 -0.104 1.00 0.00 H new ATOM 1332 N ASP A 87 -7.397 -3.470 5.088 1.00 0.00 N ATOM 1333 CA ASP A 87 -8.137 -3.486 6.344 1.00 0.00 C ATOM 1334 C ASP A 87 -7.266 -2.937 7.470 1.00 0.00 C ATOM 1335 O ASP A 87 -7.711 -2.116 8.272 1.00 0.00 O ATOM 1336 CB ASP A 87 -8.593 -4.908 6.678 1.00 0.00 C ATOM 1337 CG ASP A 87 -10.052 -4.966 7.087 1.00 0.00 C ATOM 1338 OD1 ASP A 87 -10.914 -4.599 6.263 1.00 0.00 O ATOM 1339 OD2 ASP A 87 -10.330 -5.377 8.233 1.00 0.00 O ATOM 0 H ASP A 87 -6.643 -4.154 5.032 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.019 -2.855 6.237 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.436 -5.550 5.811 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.976 -5.304 7.485 1.00 0.00 H new ATOM 1344 N GLY A 88 -6.015 -3.384 7.506 1.00 0.00 N ATOM 1345 CA GLY A 88 -5.081 -2.918 8.516 1.00 0.00 C ATOM 1346 C GLY A 88 -4.269 -4.049 9.125 1.00 0.00 C ATOM 1347 O GLY A 88 -4.325 -5.184 8.654 1.00 0.00 O ATOM 0 H GLY A 88 -5.629 -4.064 6.851 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.405 -2.188 8.071 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.631 -2.404 9.305 1.00 0.00 H new ATOM 1351 N LEU A 89 -3.521 -3.738 10.182 1.00 0.00 N ATOM 1352 CA LEU A 89 -2.704 -4.737 10.866 1.00 0.00 C ATOM 1353 C LEU A 89 -1.990 -4.124 12.069 1.00 0.00 C ATOM 1354 O LEU A 89 -1.038 -3.360 11.916 1.00 0.00 O ATOM 1355 CB LEU A 89 -1.682 -5.347 9.902 1.00 0.00 C ATOM 1356 CG LEU A 89 -1.297 -6.799 10.198 1.00 0.00 C ATOM 1357 CD1 LEU A 89 -2.536 -7.677 10.279 1.00 0.00 C ATOM 1358 CD2 LEU A 89 -0.339 -7.321 9.138 1.00 0.00 C ATOM 0 H LEU A 89 -3.464 -2.802 10.583 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.365 -5.527 11.222 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.083 -5.293 8.890 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.779 -4.737 9.920 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.793 -6.831 11.164 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.240 -8.705 10.490 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.187 -7.316 11.075 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.070 -7.641 9.330 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.075 -8.354 9.363 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.818 -7.274 8.160 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.563 -6.710 9.130 1.00 0.00 H new ATOM 1370 N ASP A 90 -2.456 -4.458 13.268 1.00 0.00 N ATOM 1371 CA ASP A 90 -1.860 -3.932 14.490 1.00 0.00 C ATOM 1372 C ASP A 90 -1.149 -5.031 15.276 1.00 0.00 C ATOM 1373 O ASP A 90 -1.297 -5.130 16.495 1.00 0.00 O ATOM 1374 CB ASP A 90 -2.934 -3.276 15.362 1.00 0.00 C ATOM 1375 CG ASP A 90 -3.151 -1.817 15.009 1.00 0.00 C ATOM 1376 OD1 ASP A 90 -3.120 -1.487 13.805 1.00 0.00 O ATOM 1377 OD2 ASP A 90 -3.350 -1.004 15.937 1.00 0.00 O ATOM 0 H ASP A 90 -3.243 -5.089 13.419 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.120 -3.183 14.207 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.873 -3.818 15.248 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.646 -3.355 16.410 1.00 0.00 H new ATOM 1382 N ARG A 91 -0.374 -5.852 14.574 1.00 0.00 N ATOM 1383 CA ARG A 91 0.363 -6.940 15.210 1.00 0.00 C ATOM 1384 C ARG A 91 1.102 -7.779 14.174 1.00 0.00 C ATOM 1385 O ARG A 91 0.759 -7.768 12.991 1.00 0.00 O ATOM 1386 CB ARG A 91 -0.585 -7.829 16.019 1.00 0.00 C ATOM 1387 CG ARG A 91 -1.869 -8.180 15.285 1.00 0.00 C ATOM 1388 CD ARG A 91 -1.689 -9.403 14.401 1.00 0.00 C ATOM 1389 NE ARG A 91 -2.944 -10.124 14.203 1.00 0.00 N ATOM 1390 CZ ARG A 91 -3.015 -11.387 13.790 1.00 0.00 C ATOM 1391 NH1 ARG A 91 -1.909 -12.072 13.530 1.00 0.00 N ATOM 1392 NH2 ARG A 91 -4.198 -11.966 13.635 1.00 0.00 N ATOM 0 H ARG A 91 -0.240 -5.785 13.565 1.00 0.00 H new ATOM 0 HA ARG A 91 1.097 -6.497 15.884 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.066 -8.750 16.286 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.836 -7.323 16.951 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.663 -8.366 16.008 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.184 -7.333 14.676 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.291 -9.096 13.434 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.954 -10.071 14.851 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.816 -9.631 14.392 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.997 -11.631 13.646 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.971 -13.040 13.214 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.051 -11.443 13.832 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.254 -12.934 13.318 1.00 0.00 H new ATOM 1406 N MET A 92 2.118 -8.508 14.625 1.00 0.00 N ATOM 1407 CA MET A 92 2.906 -9.357 13.739 1.00 0.00 C ATOM 1408 C MET A 92 2.024 -10.408 13.072 1.00 0.00 C ATOM 1409 O MET A 92 1.075 -10.907 13.676 1.00 0.00 O ATOM 1410 CB MET A 92 4.034 -10.035 14.519 1.00 0.00 C ATOM 1411 CG MET A 92 5.405 -9.855 13.886 1.00 0.00 C ATOM 1412 SD MET A 92 6.554 -8.963 14.952 1.00 0.00 S ATOM 1413 CE MET A 92 8.097 -9.775 14.542 1.00 0.00 C ATOM 0 H MET A 92 2.415 -8.528 15.601 1.00 0.00 H new ATOM 0 HA MET A 92 3.341 -8.729 12.962 1.00 0.00 H new ATOM 0 HB2 MET A 92 4.055 -9.634 15.533 1.00 0.00 H new ATOM 0 HB3 MET A 92 3.818 -11.100 14.602 1.00 0.00 H new ATOM 0 HG2 MET A 92 5.822 -10.834 13.648 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.298 -9.317 12.944 1.00 0.00 H new ATOM 0 HE1 MET A 92 8.894 -9.382 15.173 1.00 0.00 H new ATOM 0 HE2 MET A 92 7.999 -10.848 14.708 1.00 0.00 H new ATOM 0 HE3 MET A 92 8.339 -9.590 13.495 1.00 0.00 H new ATOM 1423 N ALA A 93 2.340 -10.739 11.824 1.00 0.00 N ATOM 1424 CA ALA A 93 1.568 -11.732 11.085 1.00 0.00 C ATOM 1425 C ALA A 93 2.410 -12.425 10.018 1.00 0.00 C ATOM 1426 O ALA A 93 2.970 -11.775 9.136 1.00 0.00 O ATOM 1427 CB ALA A 93 0.348 -11.080 10.450 1.00 0.00 C ATOM 0 H ALA A 93 3.121 -10.337 11.305 1.00 0.00 H new ATOM 0 HA ALA A 93 1.243 -12.493 11.794 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.221 -11.830 9.901 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.280 -10.647 11.229 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.670 -10.296 9.765 1.00 0.00 H new ATOM 1433 N HIS A 94 2.486 -13.751 10.100 1.00 0.00 N ATOM 1434 CA HIS A 94 3.250 -14.538 9.137 1.00 0.00 C ATOM 1435 C HIS A 94 2.646 -14.410 7.744 1.00 0.00 C ATOM 1436 O HIS A 94 1.448 -14.172 7.595 1.00 0.00 O ATOM 1437 CB HIS A 94 3.285 -16.009 9.562 1.00 0.00 C ATOM 1438 CG HIS A 94 3.881 -16.928 8.541 1.00 0.00 C ATOM 1439 ND1 HIS A 94 3.128 -17.598 7.601 1.00 0.00 N ATOM 1440 CD2 HIS A 94 5.166 -17.297 8.323 1.00 0.00 C ATOM 1441 CE1 HIS A 94 3.921 -18.340 6.852 1.00 0.00 C ATOM 1442 NE2 HIS A 94 5.163 -18.177 7.268 1.00 0.00 N ATOM 0 H HIS A 94 2.027 -14.303 10.825 1.00 0.00 H new ATOM 0 HA HIS A 94 4.270 -14.154 9.111 1.00 0.00 H new ATOM 0 HB2 HIS A 94 3.854 -16.095 10.488 1.00 0.00 H new ATOM 0 HB3 HIS A 94 2.269 -16.337 9.781 1.00 0.00 H new ATOM 0 HD1 HIS A 94 2.115 -17.531 7.500 1.00 0.00 H new ATOM 0 HD2 HIS A 94 6.031 -16.962 8.875 1.00 0.00 H new ATOM 0 HE1 HIS A 94 3.607 -18.974 6.036 1.00 0.00 H new ATOM 1451 N PHE A 95 3.484 -14.567 6.726 1.00 0.00 N ATOM 1452 CA PHE A 95 3.029 -14.465 5.346 1.00 0.00 C ATOM 1453 C PHE A 95 3.400 -15.706 4.540 1.00 0.00 C ATOM 1454 O PHE A 95 2.664 -16.110 3.640 1.00 0.00 O ATOM 1455 CB PHE A 95 3.625 -13.221 4.686 1.00 0.00 C ATOM 1456 CG PHE A 95 3.091 -12.963 3.305 1.00 0.00 C ATOM 1457 CD1 PHE A 95 1.728 -12.871 3.082 1.00 0.00 C ATOM 1458 CD2 PHE A 95 3.955 -12.812 2.231 1.00 0.00 C ATOM 1459 CE1 PHE A 95 1.233 -12.634 1.814 1.00 0.00 C ATOM 1460 CE2 PHE A 95 3.466 -12.576 0.960 1.00 0.00 C ATOM 1461 CZ PHE A 95 2.103 -12.487 0.751 1.00 0.00 C ATOM 0 H PHE A 95 4.479 -14.765 6.830 1.00 0.00 H new ATOM 0 HA PHE A 95 1.942 -14.385 5.360 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.422 -12.353 5.314 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.708 -13.330 4.634 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.043 -12.986 3.909 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.021 -12.880 2.389 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.167 -12.564 1.654 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.149 -12.461 0.131 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.719 -12.303 -0.241 1.00 0.00 H new ATOM 1471 N LYS A 96 4.544 -16.310 4.859 1.00 0.00 N ATOM 1472 CA LYS A 96 4.994 -17.503 4.146 1.00 0.00 C ATOM 1473 C LYS A 96 6.336 -17.989 4.678 1.00 0.00 C ATOM 1474 O LYS A 96 7.129 -17.202 5.192 1.00 0.00 O ATOM 1475 CB LYS A 96 5.107 -17.217 2.646 1.00 0.00 C ATOM 1476 CG LYS A 96 5.942 -15.989 2.323 1.00 0.00 C ATOM 1477 CD LYS A 96 5.661 -15.474 0.919 1.00 0.00 C ATOM 1478 CE LYS A 96 6.871 -15.634 0.012 1.00 0.00 C ATOM 1479 NZ LYS A 96 7.283 -17.058 -0.119 1.00 0.00 N ATOM 0 H LYS A 96 5.171 -15.996 5.600 1.00 0.00 H new ATOM 0 HA LYS A 96 4.254 -18.286 4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.544 -18.084 2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.107 -17.085 2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.731 -15.203 3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.000 -16.233 2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.814 -16.014 0.495 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.377 -14.423 0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.641 -15.231 -0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.702 -15.051 0.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.905 -17.165 -0.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.793 -17.352 0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.439 -17.654 -0.242 1.00 0.00 H new ATOM 1493 N ASP A 97 6.586 -19.291 4.543 1.00 0.00 N ATOM 1494 CA ASP A 97 7.837 -19.895 5.002 1.00 0.00 C ATOM 1495 C ASP A 97 8.200 -19.418 6.408 1.00 0.00 C ATOM 1496 O ASP A 97 7.827 -20.047 7.399 1.00 0.00 O ATOM 1497 CB ASP A 97 8.970 -19.579 4.021 1.00 0.00 C ATOM 1498 CG ASP A 97 9.168 -20.675 2.993 1.00 0.00 C ATOM 1499 OD1 ASP A 97 9.738 -21.728 3.348 1.00 0.00 O ATOM 1500 OD2 ASP A 97 8.752 -20.481 1.831 1.00 0.00 O ATOM 0 H ASP A 97 5.935 -19.951 4.117 1.00 0.00 H new ATOM 0 HA ASP A 97 7.695 -20.975 5.042 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.753 -18.641 3.510 1.00 0.00 H new ATOM 0 HB3 ASP A 97 9.897 -19.433 4.576 1.00 0.00 H new ATOM 1505 N ASP A 98 8.921 -18.302 6.493 1.00 0.00 N ATOM 1506 CA ASP A 98 9.316 -17.750 7.782 1.00 0.00 C ATOM 1507 C ASP A 98 9.314 -16.224 7.755 1.00 0.00 C ATOM 1508 O ASP A 98 9.903 -15.580 8.624 1.00 0.00 O ATOM 1509 CB ASP A 98 10.701 -18.265 8.180 1.00 0.00 C ATOM 1510 CG ASP A 98 10.734 -19.773 8.338 1.00 0.00 C ATOM 1511 OD1 ASP A 98 9.984 -20.295 9.190 1.00 0.00 O ATOM 1512 OD2 ASP A 98 11.508 -20.430 7.612 1.00 0.00 O ATOM 0 H ASP A 98 9.241 -17.766 5.687 1.00 0.00 H new ATOM 0 HA ASP A 98 8.587 -18.078 8.523 1.00 0.00 H new ATOM 0 HB2 ASP A 98 11.428 -17.966 7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.004 -17.798 9.117 1.00 0.00 H new ATOM 1517 N LEU A 99 8.640 -15.647 6.763 1.00 0.00 N ATOM 1518 CA LEU A 99 8.558 -14.198 6.642 1.00 0.00 C ATOM 1519 C LEU A 99 7.347 -13.673 7.397 1.00 0.00 C ATOM 1520 O LEU A 99 6.210 -14.046 7.106 1.00 0.00 O ATOM 1521 CB LEU A 99 8.479 -13.786 5.171 1.00 0.00 C ATOM 1522 CG LEU A 99 9.827 -13.680 4.455 1.00 0.00 C ATOM 1523 CD1 LEU A 99 9.632 -13.228 3.017 1.00 0.00 C ATOM 1524 CD2 LEU A 99 10.747 -12.723 5.196 1.00 0.00 C ATOM 0 H LEU A 99 8.145 -16.161 6.034 1.00 0.00 H new ATOM 0 HA LEU A 99 9.459 -13.765 7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.859 -14.508 4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.973 -12.823 5.106 1.00 0.00 H new ATOM 0 HG LEU A 99 10.292 -14.666 4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.601 -13.158 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.007 -13.950 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.147 -12.252 3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.702 -12.659 4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.288 -11.735 5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.912 -13.088 6.210 1.00 0.00 H new ATOM 1536 N VAL A 100 7.597 -12.815 8.377 1.00 0.00 N ATOM 1537 CA VAL A 100 6.526 -12.250 9.183 1.00 0.00 C ATOM 1538 C VAL A 100 6.352 -10.759 8.910 1.00 0.00 C ATOM 1539 O VAL A 100 7.329 -10.019 8.800 1.00 0.00 O ATOM 1540 CB VAL A 100 6.784 -12.492 10.692 1.00 0.00 C ATOM 1541 CG1 VAL A 100 7.147 -11.203 11.419 1.00 0.00 C ATOM 1542 CG2 VAL A 100 5.577 -13.153 11.337 1.00 0.00 C ATOM 0 H VAL A 100 8.532 -12.496 8.632 1.00 0.00 H new ATOM 0 HA VAL A 100 5.603 -12.756 8.901 1.00 0.00 H new ATOM 0 HB VAL A 100 7.639 -13.163 10.777 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.320 -11.416 12.474 1.00 0.00 H new ATOM 0 HG12 VAL A 100 8.052 -10.781 10.981 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.330 -10.488 11.323 1.00 0.00 H new ATOM 0 HG21 VAL A 100 5.774 -13.316 12.397 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.706 -12.508 11.225 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.384 -14.110 10.852 1.00 0.00 H new ATOM 1552 N LEU A 101 5.100 -10.328 8.813 1.00 0.00 N ATOM 1553 CA LEU A 101 4.794 -8.927 8.566 1.00 0.00 C ATOM 1554 C LEU A 101 4.562 -8.198 9.884 1.00 0.00 C ATOM 1555 O LEU A 101 3.714 -8.595 10.683 1.00 0.00 O ATOM 1556 CB LEU A 101 3.558 -8.802 7.673 1.00 0.00 C ATOM 1557 CG LEU A 101 3.739 -9.309 6.241 1.00 0.00 C ATOM 1558 CD1 LEU A 101 2.398 -9.697 5.638 1.00 0.00 C ATOM 1559 CD2 LEU A 101 4.423 -8.255 5.385 1.00 0.00 C ATOM 0 H LEU A 101 4.281 -10.930 8.902 1.00 0.00 H new ATOM 0 HA LEU A 101 5.643 -8.471 8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.738 -9.351 8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.260 -7.754 7.636 1.00 0.00 H new ATOM 0 HG LEU A 101 4.373 -10.195 6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.547 -10.055 4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.944 -10.486 6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.740 -8.828 5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.544 -8.633 4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.815 -7.351 5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.402 -8.025 5.805 1.00 0.00 H new ATOM 1571 N VAL A 102 5.325 -7.135 10.110 1.00 0.00 N ATOM 1572 CA VAL A 102 5.203 -6.359 11.337 1.00 0.00 C ATOM 1573 C VAL A 102 4.575 -4.997 11.065 1.00 0.00 C ATOM 1574 O VAL A 102 4.922 -4.332 10.090 1.00 0.00 O ATOM 1575 CB VAL A 102 6.575 -6.149 12.008 1.00 0.00 C ATOM 1576 CG1 VAL A 102 6.406 -5.694 13.449 1.00 0.00 C ATOM 1577 CG2 VAL A 102 7.408 -7.421 11.939 1.00 0.00 C ATOM 0 H VAL A 102 6.033 -6.792 9.461 1.00 0.00 H new ATOM 0 HA VAL A 102 4.560 -6.928 12.008 1.00 0.00 H new ATOM 0 HB VAL A 102 7.103 -5.366 11.464 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.387 -5.552 13.903 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.856 -4.753 13.471 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.854 -6.450 14.007 1.00 0.00 H new ATOM 0 HG21 VAL A 102 8.372 -7.251 12.418 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.884 -8.227 12.453 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.565 -7.697 10.896 1.00 0.00 H new ATOM 1587 N PRO A 103 3.643 -4.552 11.928 1.00 0.00 N ATOM 1588 CA PRO A 103 2.976 -3.258 11.770 1.00 0.00 C ATOM 1589 C PRO A 103 3.973 -2.138 11.493 1.00 0.00 C ATOM 1590 O PRO A 103 4.908 -1.918 12.261 1.00 0.00 O ATOM 1591 CB PRO A 103 2.278 -3.036 13.125 1.00 0.00 C ATOM 1592 CG PRO A 103 2.768 -4.130 14.021 1.00 0.00 C ATOM 1593 CD PRO A 103 3.164 -5.261 13.119 1.00 0.00 C ATOM 0 HA PRO A 103 2.288 -3.253 10.925 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.523 -2.056 13.535 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.194 -3.075 13.017 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.615 -3.794 14.619 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.989 -4.441 14.717 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.941 -5.883 13.563 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.322 -5.915 12.893 1.00 0.00 H new ATOM 1601 N LEU A 104 3.771 -1.443 10.379 1.00 0.00 N ATOM 1602 CA LEU A 104 4.658 -0.355 9.987 1.00 0.00 C ATOM 1603 C LEU A 104 3.939 0.988 10.029 1.00 0.00 C ATOM 1604 O LEU A 104 4.436 1.947 10.618 1.00 0.00 O ATOM 1605 CB LEU A 104 5.208 -0.603 8.582 1.00 0.00 C ATOM 1606 CG LEU A 104 6.403 0.269 8.195 1.00 0.00 C ATOM 1607 CD1 LEU A 104 7.706 -0.399 8.602 1.00 0.00 C ATOM 1608 CD2 LEU A 104 6.391 0.555 6.700 1.00 0.00 C ATOM 0 H LEU A 104 3.001 -1.614 9.732 1.00 0.00 H new ATOM 0 HA LEU A 104 5.483 -0.324 10.699 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.500 -1.650 8.501 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.408 -0.439 7.860 1.00 0.00 H new ATOM 0 HG LEU A 104 6.325 1.217 8.727 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.545 0.237 8.318 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.715 -0.552 9.681 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.794 -1.362 8.099 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.248 1.177 6.442 1.00 0.00 H new ATOM 0 HD22 LEU A 104 6.445 -0.384 6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.471 1.078 6.437 1.00 0.00 H new ATOM 1620 N THR A 105 2.773 1.058 9.395 1.00 0.00 N ATOM 1621 CA THR A 105 2.009 2.297 9.363 1.00 0.00 C ATOM 1622 C THR A 105 0.547 2.047 9.012 1.00 0.00 C ATOM 1623 O THR A 105 0.236 1.342 8.054 1.00 0.00 O ATOM 1624 CB THR A 105 2.644 3.272 8.368 1.00 0.00 C ATOM 1625 OG1 THR A 105 3.886 3.746 8.858 1.00 0.00 O ATOM 1626 CG2 THR A 105 1.787 4.480 8.062 1.00 0.00 C ATOM 0 H THR A 105 2.340 0.278 8.901 1.00 0.00 H new ATOM 0 HA THR A 105 2.032 2.736 10.360 1.00 0.00 H new ATOM 0 HB THR A 105 2.765 2.697 7.450 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.040 3.390 9.758 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.305 5.123 7.350 1.00 0.00 H new ATOM 0 HG22 THR A 105 0.839 4.154 7.634 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.599 5.035 8.981 1.00 0.00 H new ATOM 1634 N THR A 106 -0.342 2.642 9.805 1.00 0.00 N ATOM 1635 CA THR A 106 -1.778 2.503 9.601 1.00 0.00 C ATOM 1636 C THR A 106 -2.423 3.861 9.347 1.00 0.00 C ATOM 1637 O THR A 106 -2.354 4.758 10.187 1.00 0.00 O ATOM 1638 CB THR A 106 -2.424 1.850 10.825 1.00 0.00 C ATOM 1639 OG1 THR A 106 -1.836 0.589 11.089 1.00 0.00 O ATOM 1640 CG2 THR A 106 -3.916 1.638 10.674 1.00 0.00 C ATOM 0 H THR A 106 -0.088 3.229 10.600 1.00 0.00 H new ATOM 0 HA THR A 106 -1.937 1.871 8.727 1.00 0.00 H new ATOM 0 HB THR A 106 -2.254 2.546 11.647 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.261 0.188 11.876 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.310 1.172 11.577 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.406 2.599 10.518 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.107 0.991 9.818 1.00 0.00 H new ATOM 1648 N LYS A 107 -3.052 4.007 8.187 1.00 0.00 N ATOM 1649 CA LYS A 107 -3.711 5.259 7.832 1.00 0.00 C ATOM 1650 C LYS A 107 -5.002 4.999 7.063 1.00 0.00 C ATOM 1651 O LYS A 107 -5.057 4.125 6.199 1.00 0.00 O ATOM 1652 CB LYS A 107 -2.776 6.138 7.001 1.00 0.00 C ATOM 1653 CG LYS A 107 -3.106 7.621 7.078 1.00 0.00 C ATOM 1654 CD LYS A 107 -1.949 8.478 6.585 1.00 0.00 C ATOM 1655 CE LYS A 107 -1.463 9.434 7.663 1.00 0.00 C ATOM 1656 NZ LYS A 107 -2.261 10.691 7.691 1.00 0.00 N ATOM 0 H LYS A 107 -3.120 3.277 7.478 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.960 5.780 8.756 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -1.751 5.984 7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.820 5.818 5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -3.994 7.828 6.480 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.345 7.888 8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.127 7.835 6.270 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.263 9.045 5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.522 8.945 8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.414 9.674 7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.898 11.316 8.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.185 11.171 6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.258 10.465 7.882 1.00 0.00 H new ATOM 1670 N VAL A 108 -6.040 5.766 7.384 1.00 0.00 N ATOM 1671 CA VAL A 108 -7.331 5.620 6.723 1.00 0.00 C ATOM 1672 C VAL A 108 -7.488 6.638 5.599 1.00 0.00 C ATOM 1673 O VAL A 108 -7.084 7.793 5.733 1.00 0.00 O ATOM 1674 CB VAL A 108 -8.496 5.787 7.717 1.00 0.00 C ATOM 1675 CG1 VAL A 108 -9.812 5.385 7.070 1.00 0.00 C ATOM 1676 CG2 VAL A 108 -8.243 4.976 8.979 1.00 0.00 C ATOM 0 H VAL A 108 -6.011 6.494 8.098 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.361 4.613 6.308 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.562 6.838 7.997 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.623 5.510 7.787 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -9.997 6.015 6.200 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.760 4.342 6.758 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.077 5.107 9.669 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.148 3.921 8.721 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.323 5.318 9.453 1.00 0.00 H new ATOM 1686 N VAL A 109 -8.078 6.204 4.490 1.00 0.00 N ATOM 1687 CA VAL A 109 -8.286 7.079 3.343 1.00 0.00 C ATOM 1688 C VAL A 109 -9.677 6.886 2.749 1.00 0.00 C ATOM 1689 O VAL A 109 -10.055 5.775 2.379 1.00 0.00 O ATOM 1690 CB VAL A 109 -7.232 6.830 2.248 1.00 0.00 C ATOM 1691 CG1 VAL A 109 -7.342 7.879 1.152 1.00 0.00 C ATOM 1692 CG2 VAL A 109 -5.834 6.819 2.848 1.00 0.00 C ATOM 0 H VAL A 109 -8.420 5.252 4.362 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.188 8.103 3.704 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.420 5.853 1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.589 7.687 0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.335 7.834 0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.181 8.869 1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.101 6.642 2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.633 7.780 3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.764 6.027 3.593 1.00 0.00 H new ATOM 1702 N GLY A 110 -10.433 7.974 2.660 1.00 0.00 N ATOM 1703 CA GLY A 110 -11.774 7.903 2.109 1.00 0.00 C ATOM 1704 C GLY A 110 -12.765 7.284 3.074 1.00 0.00 C ATOM 1705 O GLY A 110 -13.721 7.936 3.495 1.00 0.00 O ATOM 0 H GLY A 110 -10.142 8.904 2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.108 8.906 1.844 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.755 7.319 1.189 1.00 0.00 H new ATOM 1709 N GLY A 111 -12.536 6.023 3.426 1.00 0.00 N ATOM 1710 CA GLY A 111 -13.425 5.336 4.346 1.00 0.00 C ATOM 1711 C GLY A 111 -13.015 3.894 4.577 1.00 0.00 C ATOM 1712 O GLY A 111 -13.865 3.008 4.665 1.00 0.00 O ATOM 0 H GLY A 111 -11.751 5.464 3.091 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.437 5.865 5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -14.442 5.364 3.954 1.00 0.00 H new ATOM 1716 N SER A 112 -11.711 3.660 4.676 1.00 0.00 N ATOM 1717 CA SER A 112 -11.190 2.317 4.898 1.00 0.00 C ATOM 1718 C SER A 112 -9.800 2.366 5.524 1.00 0.00 C ATOM 1719 O SER A 112 -8.964 3.186 5.142 1.00 0.00 O ATOM 1720 CB SER A 112 -11.140 1.543 3.579 1.00 0.00 C ATOM 1721 OG SER A 112 -12.334 0.808 3.374 1.00 0.00 O ATOM 0 H SER A 112 -10.995 4.384 4.606 1.00 0.00 H new ATOM 0 HA SER A 112 -11.861 1.805 5.588 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.990 2.237 2.752 1.00 0.00 H new ATOM 0 HB3 SER A 112 -10.287 0.864 3.584 1.00 0.00 H new ATOM 0 HG SER A 112 -13.097 1.322 3.713 1.00 0.00 H new ATOM 1727 N ARG A 113 -9.559 1.482 6.487 1.00 0.00 N ATOM 1728 CA ARG A 113 -8.270 1.423 7.166 1.00 0.00 C ATOM 1729 C ARG A 113 -7.197 0.854 6.244 1.00 0.00 C ATOM 1730 O ARG A 113 -7.471 -0.023 5.425 1.00 0.00 O ATOM 1731 CB ARG A 113 -8.378 0.566 8.429 1.00 0.00 C ATOM 1732 CG ARG A 113 -9.016 1.292 9.603 1.00 0.00 C ATOM 1733 CD ARG A 113 -8.029 1.496 10.741 1.00 0.00 C ATOM 1734 NE ARG A 113 -8.078 0.404 11.710 1.00 0.00 N ATOM 1735 CZ ARG A 113 -7.611 0.494 12.954 1.00 0.00 C ATOM 1736 NH1 ARG A 113 -7.057 1.622 13.383 1.00 0.00 N ATOM 1737 NH2 ARG A 113 -7.696 -0.546 13.772 1.00 0.00 N ATOM 0 H ARG A 113 -10.240 0.797 6.815 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.985 2.438 7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.962 -0.327 8.204 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -7.382 0.231 8.717 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -9.394 2.259 9.271 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.872 0.721 9.962 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -7.020 1.576 10.336 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -8.246 2.438 11.245 1.00 0.00 H new ATOM 0 HE ARG A 113 -8.494 -0.480 11.417 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -6.987 2.426 12.759 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -6.701 1.685 14.337 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -8.119 -1.416 13.449 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -7.338 -0.476 14.725 1.00 0.00 H new ATOM 1751 N CYS A 114 -5.974 1.356 6.379 1.00 0.00 N ATOM 1752 CA CYS A 114 -4.866 0.892 5.553 1.00 0.00 C ATOM 1753 C CYS A 114 -3.582 0.782 6.369 1.00 0.00 C ATOM 1754 O CYS A 114 -3.004 1.790 6.773 1.00 0.00 O ATOM 1755 CB CYS A 114 -4.651 1.837 4.368 1.00 0.00 C ATOM 1756 SG CYS A 114 -6.176 2.336 3.534 1.00 0.00 S ATOM 0 H CYS A 114 -5.726 2.082 7.051 1.00 0.00 H new ATOM 0 HA CYS A 114 -5.121 -0.099 5.177 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -4.133 2.730 4.718 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -3.996 1.352 3.644 1.00 0.00 H new ATOM 0 HG CYS A 114 -7.031 2.766 4.414 1.00 0.00 H new ATOM 1762 N THR A 115 -3.136 -0.449 6.604 1.00 0.00 N ATOM 1763 CA THR A 115 -1.918 -0.686 7.368 1.00 0.00 C ATOM 1764 C THR A 115 -0.839 -1.326 6.501 1.00 0.00 C ATOM 1765 O THR A 115 -1.118 -2.210 5.692 1.00 0.00 O ATOM 1766 CB THR A 115 -2.193 -1.597 8.562 1.00 0.00 C ATOM 1767 OG1 THR A 115 -3.168 -1.029 9.421 1.00 0.00 O ATOM 1768 CG2 THR A 115 -0.955 -1.888 9.388 1.00 0.00 C ATOM 0 H THR A 115 -3.600 -1.296 6.276 1.00 0.00 H new ATOM 0 HA THR A 115 -1.568 0.284 7.721 1.00 0.00 H new ATOM 0 HB THR A 115 -2.552 -2.533 8.134 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.725 -0.623 10.195 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.218 -2.540 10.221 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.209 -2.379 8.764 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.547 -0.954 9.774 1.00 0.00 H new ATOM 1776 N ILE A 116 0.398 -0.899 6.710 1.00 0.00 N ATOM 1777 CA ILE A 116 1.535 -1.455 5.985 1.00 0.00 C ATOM 1778 C ILE A 116 2.476 -2.118 6.970 1.00 0.00 C ATOM 1779 O ILE A 116 2.646 -1.640 8.091 1.00 0.00 O ATOM 1780 CB ILE A 116 2.312 -0.404 5.160 1.00 0.00 C ATOM 1781 CG1 ILE A 116 1.815 1.002 5.480 1.00 0.00 C ATOM 1782 CG2 ILE A 116 2.174 -0.700 3.672 1.00 0.00 C ATOM 1783 CD1 ILE A 116 2.393 2.075 4.580 1.00 0.00 C ATOM 0 H ILE A 116 0.642 -0.167 7.377 1.00 0.00 H new ATOM 0 HA ILE A 116 1.136 -2.178 5.274 1.00 0.00 H new ATOM 0 HB ILE A 116 3.367 -0.459 5.428 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.728 1.020 5.399 1.00 0.00 H new ATOM 0 HG13 ILE A 116 2.062 1.238 6.515 1.00 0.00 H new ATOM 0 HG21 ILE A 116 2.725 0.046 3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.577 -1.690 3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 116 1.121 -0.668 3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.993 3.047 4.869 1.00 0.00 H new ATOM 0 HD12 ILE A 116 3.479 2.086 4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.124 1.865 3.545 1.00 0.00 H new ATOM 1795 N CYS A 117 3.061 -3.235 6.573 1.00 0.00 N ATOM 1796 CA CYS A 117 3.953 -3.960 7.463 1.00 0.00 C ATOM 1797 C CYS A 117 5.242 -4.385 6.770 1.00 0.00 C ATOM 1798 O CYS A 117 5.222 -4.898 5.651 1.00 0.00 O ATOM 1799 CB CYS A 117 3.239 -5.197 8.013 1.00 0.00 C ATOM 1800 SG CYS A 117 1.706 -4.832 8.900 1.00 0.00 S ATOM 0 H CYS A 117 2.937 -3.656 5.652 1.00 0.00 H new ATOM 0 HA CYS A 117 4.222 -3.285 8.275 1.00 0.00 H new ATOM 0 HB2 CYS A 117 3.016 -5.872 7.187 1.00 0.00 H new ATOM 0 HB3 CYS A 117 3.916 -5.726 8.683 1.00 0.00 H new ATOM 0 HG CYS A 117 1.802 -5.256 10.125 1.00 0.00 H new ATOM 1806 N ASP A 118 6.361 -4.192 7.462 1.00 0.00 N ATOM 1807 CA ASP A 118 7.660 -4.581 6.933 1.00 0.00 C ATOM 1808 C ASP A 118 7.778 -6.099 6.927 1.00 0.00 C ATOM 1809 O ASP A 118 7.310 -6.767 7.850 1.00 0.00 O ATOM 1810 CB ASP A 118 8.786 -3.970 7.772 1.00 0.00 C ATOM 1811 CG ASP A 118 10.108 -3.938 7.031 1.00 0.00 C ATOM 1812 OD1 ASP A 118 10.177 -3.289 5.966 1.00 0.00 O ATOM 1813 OD2 ASP A 118 11.075 -4.564 7.515 1.00 0.00 O ATOM 0 H ASP A 118 6.392 -3.769 8.390 1.00 0.00 H new ATOM 0 HA ASP A 118 7.750 -4.209 5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.510 -2.956 8.061 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.902 -4.543 8.692 1.00 0.00 H new ATOM 1818 N VAL A 119 8.393 -6.646 5.887 1.00 0.00 N ATOM 1819 CA VAL A 119 8.549 -8.088 5.778 1.00 0.00 C ATOM 1820 C VAL A 119 9.861 -8.540 6.402 1.00 0.00 C ATOM 1821 O VAL A 119 10.931 -8.381 5.814 1.00 0.00 O ATOM 1822 CB VAL A 119 8.493 -8.548 4.311 1.00 0.00 C ATOM 1823 CG1 VAL A 119 8.352 -10.061 4.229 1.00 0.00 C ATOM 1824 CG2 VAL A 119 7.350 -7.855 3.581 1.00 0.00 C ATOM 0 H VAL A 119 8.790 -6.115 5.111 1.00 0.00 H new ATOM 0 HA VAL A 119 7.720 -8.544 6.319 1.00 0.00 H new ATOM 0 HB VAL A 119 9.428 -8.270 3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 119 8.314 -10.367 3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 119 9.206 -10.533 4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 119 7.434 -10.369 4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 119 7.324 -8.191 2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 119 6.406 -8.101 4.066 1.00 0.00 H new ATOM 0 HG23 VAL A 119 7.502 -6.776 3.609 1.00 0.00 H new ATOM 1834 N VAL A 120 9.768 -9.102 7.600 1.00 0.00 N ATOM 1835 CA VAL A 120 10.942 -9.578 8.318 1.00 0.00 C ATOM 1836 C VAL A 120 10.802 -11.052 8.674 1.00 0.00 C ATOM 1837 O VAL A 120 9.727 -11.509 9.062 1.00 0.00 O ATOM 1838 CB VAL A 120 11.184 -8.763 9.604 1.00 0.00 C ATOM 1839 CG1 VAL A 120 11.995 -7.514 9.300 1.00 0.00 C ATOM 1840 CG2 VAL A 120 9.863 -8.397 10.267 1.00 0.00 C ATOM 0 H VAL A 120 8.888 -9.240 8.096 1.00 0.00 H new ATOM 0 HA VAL A 120 11.797 -9.448 7.655 1.00 0.00 H new ATOM 0 HB VAL A 120 11.753 -9.381 10.298 1.00 0.00 H new ATOM 0 HG11 VAL A 120 12.156 -6.952 10.220 1.00 0.00 H new ATOM 0 HG12 VAL A 120 12.958 -7.800 8.876 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.454 -6.894 8.585 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.057 -7.822 11.173 1.00 0.00 H new ATOM 0 HG22 VAL A 120 9.264 -7.800 9.580 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.321 -9.307 10.524 1.00 0.00 H new ATOM 1850 N LYS A 121 11.896 -11.791 8.533 1.00 0.00 N ATOM 1851 CA LYS A 121 11.899 -13.217 8.834 1.00 0.00 C ATOM 1852 C LYS A 121 11.886 -13.458 10.340 1.00 0.00 C ATOM 1853 O LYS A 121 12.835 -13.111 11.043 1.00 0.00 O ATOM 1854 CB LYS A 121 13.124 -13.885 8.206 1.00 0.00 C ATOM 1855 CG LYS A 121 13.134 -15.398 8.353 1.00 0.00 C ATOM 1856 CD LYS A 121 13.971 -16.056 7.268 1.00 0.00 C ATOM 1857 CE LYS A 121 13.180 -16.226 5.981 1.00 0.00 C ATOM 1858 NZ LYS A 121 13.831 -17.190 5.051 1.00 0.00 N ATOM 0 H LYS A 121 12.793 -11.426 8.212 1.00 0.00 H new ATOM 0 HA LYS A 121 10.996 -13.656 8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 121 13.163 -13.631 7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 121 14.025 -13.478 8.665 1.00 0.00 H new ATOM 0 HG2 LYS A 121 13.529 -15.667 9.333 1.00 0.00 H new ATOM 0 HG3 LYS A 121 12.113 -15.776 8.306 1.00 0.00 H new ATOM 0 HD2 LYS A 121 14.858 -15.452 7.074 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.318 -17.030 7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 121 12.174 -16.572 6.217 1.00 0.00 H new ATOM 0 HE3 LYS A 121 13.077 -15.259 5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 13.260 -17.277 4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 14.782 -16.847 4.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 13.906 -18.120 5.511 1.00 0.00 H new ATOM 1872 N GLU A 122 10.802 -14.052 10.827 1.00 0.00 N ATOM 1873 CA GLU A 122 10.661 -14.340 12.249 1.00 0.00 C ATOM 1874 C GLU A 122 11.799 -15.228 12.741 1.00 0.00 C ATOM 1875 O GLU A 122 11.766 -16.448 12.572 1.00 0.00 O ATOM 1876 CB GLU A 122 9.314 -15.014 12.521 1.00 0.00 C ATOM 1877 CG GLU A 122 8.464 -14.283 13.548 1.00 0.00 C ATOM 1878 CD GLU A 122 9.119 -14.230 14.914 1.00 0.00 C ATOM 1879 OE1 GLU A 122 10.354 -14.404 14.987 1.00 0.00 O ATOM 1880 OE2 GLU A 122 8.398 -14.013 15.910 1.00 0.00 O ATOM 0 H GLU A 122 10.008 -14.343 10.257 1.00 0.00 H new ATOM 0 HA GLU A 122 10.703 -13.396 12.793 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.758 -15.086 11.586 1.00 0.00 H new ATOM 0 HB3 GLU A 122 9.490 -16.033 12.866 1.00 0.00 H new ATOM 0 HG2 GLU A 122 8.274 -13.268 13.200 1.00 0.00 H new ATOM 0 HG3 GLU A 122 7.496 -14.778 13.632 1.00 0.00 H new ATOM 1887 N GLU A 123 12.804 -14.610 13.350 1.00 0.00 N ATOM 1888 CA GLU A 123 13.953 -15.343 13.867 1.00 0.00 C ATOM 1889 C GLU A 123 14.682 -14.533 14.935 1.00 0.00 C ATOM 1890 O GLU A 123 14.434 -13.312 15.020 1.00 0.00 O ATOM 1891 CB GLU A 123 14.915 -15.692 12.730 1.00 0.00 C ATOM 1892 CG GLU A 123 14.375 -16.747 11.778 1.00 0.00 C ATOM 1893 CD GLU A 123 15.431 -17.267 10.824 1.00 0.00 C ATOM 1894 OE1 GLU A 123 16.373 -17.942 11.293 1.00 0.00 O ATOM 1895 OE2 GLU A 123 15.318 -16.999 9.610 1.00 0.00 O ATOM 1896 OXT GLU A 123 15.491 -15.126 15.677 1.00 0.00 O ATOM 0 H GLU A 123 12.846 -13.602 13.498 1.00 0.00 H new ATOM 0 HA GLU A 123 13.589 -16.264 14.322 1.00 0.00 H new ATOM 0 HB2 GLU A 123 15.141 -14.787 12.166 1.00 0.00 H new ATOM 0 HB3 GLU A 123 15.854 -16.045 13.156 1.00 0.00 H new ATOM 0 HG2 GLU A 123 13.971 -17.579 12.355 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.549 -16.325 11.205 1.00 0.00 H new TER 1903 GLU A 123