USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 524 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 Single : A 79 THR OG1 : rot 62:sc= 0.461 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 161:sc= -0.0596 (180deg=-0.562) USER MOD Single : A 97 ASN :FLIP amide:sc= -1.83 F(o=-6.5!,f=-1.8) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.411 USER MOD Single : A 107 HIS : no HD1:sc= -2.2! C(o=-2.2!,f=-4!) USER MOD Single : A 109 MET CE :methyl -174:sc= 0 (180deg=-0.0249) USER MOD Single : A 110 THR OG1 : rot 111:sc= 0.863 USER MOD Single : A 111 ASN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 132:sc= -0.0261 (180deg=-0.401) USER MOD Single : A 117 THR OG1 : rot -82:sc= -0.922 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.893 K(o=-0.89,f=-2.3!) USER MOD Single : A 137 ASN : amide:sc= -3.64! C(o=-3.6!,f=-6.5!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 144 MET CE :methyl -125:sc= -1.28 (180deg=-2.4!) USER MOD Single : A 145 MET CE :methyl -164:sc= 0 (180deg=-0.331) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ -162:sc= -0.0374 (180deg=-0.391) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 78 17.480 17.435 1.034 1.00 0.00 N ATOM 2 CA ASP A 78 17.111 16.875 2.365 1.00 0.00 C ATOM 3 C ASP A 78 15.608 16.597 2.417 1.00 0.00 C ATOM 4 O ASP A 78 15.048 16.388 3.493 1.00 0.00 O ATOM 5 CB ASP A 78 17.496 17.872 3.458 1.00 0.00 C ATOM 6 CG ASP A 78 16.750 19.189 3.257 1.00 0.00 C ATOM 7 OD1 ASP A 78 15.843 19.214 2.439 1.00 0.00 O ATOM 8 OD2 ASP A 78 17.098 20.151 3.921 1.00 0.00 O ATOM 0 HA ASP A 78 17.646 15.939 2.524 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.260 17.458 4.438 1.00 0.00 H new ATOM 0 HB3 ASP A 78 18.571 18.048 3.437 1.00 0.00 H new ATOM 15 N THR A 79 14.962 16.585 1.248 1.00 0.00 N ATOM 16 CA THR A 79 13.521 16.315 1.163 1.00 0.00 C ATOM 17 C THR A 79 13.231 15.289 0.071 1.00 0.00 C ATOM 18 O THR A 79 13.641 15.463 -1.078 1.00 0.00 O ATOM 19 CB THR A 79 12.760 17.609 0.863 1.00 0.00 C ATOM 20 OG1 THR A 79 12.971 18.531 1.924 1.00 0.00 O ATOM 21 CG2 THR A 79 11.261 17.312 0.726 1.00 0.00 C ATOM 0 H THR A 79 15.411 16.758 0.349 1.00 0.00 H new ATOM 0 HA THR A 79 13.191 15.914 2.121 1.00 0.00 H new ATOM 0 HB THR A 79 13.123 18.036 -0.072 1.00 0.00 H new ATOM 0 HG1 THR A 79 13.925 18.747 1.985 1.00 0.00 H new ATOM 0 HG21 THR A 79 10.725 18.237 0.513 1.00 0.00 H new ATOM 0 HG22 THR A 79 11.103 16.605 -0.088 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.889 16.883 1.656 1.00 0.00 H new ATOM 29 N ASP A 80 12.522 14.213 0.429 1.00 0.00 N ATOM 30 CA ASP A 80 12.192 13.170 -0.542 1.00 0.00 C ATOM 31 C ASP A 80 10.874 13.481 -1.247 1.00 0.00 C ATOM 32 O ASP A 80 10.490 12.796 -2.193 1.00 0.00 O ATOM 33 CB ASP A 80 12.089 11.815 0.166 1.00 0.00 C ATOM 34 CG ASP A 80 11.101 11.900 1.326 1.00 0.00 C ATOM 35 OD1 ASP A 80 10.624 12.990 1.594 1.00 0.00 O ATOM 36 OD2 ASP A 80 10.837 10.872 1.931 1.00 0.00 O ATOM 0 H ASP A 80 12.171 14.044 1.372 1.00 0.00 H new ATOM 0 HA ASP A 80 12.985 13.133 -1.289 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.766 11.051 -0.541 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.069 11.514 0.535 1.00 0.00 H new ATOM 41 N SER A 81 10.194 14.519 -0.777 1.00 0.00 N ATOM 42 CA SER A 81 8.922 14.928 -1.364 1.00 0.00 C ATOM 43 C SER A 81 7.797 13.997 -0.917 1.00 0.00 C ATOM 44 O SER A 81 7.287 13.194 -1.698 1.00 0.00 O ATOM 45 CB SER A 81 9.026 14.955 -2.897 1.00 0.00 C ATOM 46 OG SER A 81 8.111 15.913 -3.410 1.00 0.00 O ATOM 0 H SER A 81 10.501 15.093 0.008 1.00 0.00 H new ATOM 0 HA SER A 81 8.688 15.934 -1.015 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.042 15.206 -3.200 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.806 13.969 -3.306 1.00 0.00 H new ATOM 0 HG SER A 81 8.175 15.935 -4.388 1.00 0.00 H new ATOM 52 N GLU A 82 7.415 14.116 0.349 1.00 0.00 N ATOM 53 CA GLU A 82 6.349 13.287 0.895 1.00 0.00 C ATOM 54 C GLU A 82 5.130 13.319 -0.026 1.00 0.00 C ATOM 55 O GLU A 82 4.230 12.487 0.086 1.00 0.00 O ATOM 56 CB GLU A 82 5.970 13.803 2.290 1.00 0.00 C ATOM 57 CG GLU A 82 4.940 12.876 2.937 1.00 0.00 C ATOM 58 CD GLU A 82 4.664 13.331 4.366 1.00 0.00 C ATOM 59 OE1 GLU A 82 5.071 14.431 4.703 1.00 0.00 O ATOM 60 OE2 GLU A 82 4.057 12.573 5.104 1.00 0.00 O ATOM 0 H GLU A 82 7.825 14.774 1.012 1.00 0.00 H new ATOM 0 HA GLU A 82 6.697 12.257 0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.860 13.863 2.917 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.564 14.812 2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.016 12.883 2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.309 11.850 2.937 1.00 0.00 H new ATOM 67 N GLU A 83 5.106 14.288 -0.937 1.00 0.00 N ATOM 68 CA GLU A 83 3.989 14.424 -1.862 1.00 0.00 C ATOM 69 C GLU A 83 3.889 13.232 -2.822 1.00 0.00 C ATOM 70 O GLU A 83 2.816 12.650 -2.976 1.00 0.00 O ATOM 71 CB GLU A 83 4.135 15.727 -2.640 1.00 0.00 C ATOM 72 CG GLU A 83 3.943 16.900 -1.677 1.00 0.00 C ATOM 73 CD GLU A 83 4.106 18.224 -2.413 1.00 0.00 C ATOM 74 OE1 GLU A 83 4.315 18.190 -3.613 1.00 0.00 O ATOM 75 OE2 GLU A 83 4.018 19.254 -1.764 1.00 0.00 O ATOM 0 H GLU A 83 5.842 14.985 -1.053 1.00 0.00 H new ATOM 0 HA GLU A 83 3.066 14.442 -1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.118 15.779 -3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.398 15.772 -3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.953 16.848 -1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.669 16.836 -0.866 1.00 0.00 H new ATOM 82 N GLU A 84 4.993 12.862 -3.470 1.00 0.00 N ATOM 83 CA GLU A 84 4.948 11.731 -4.398 1.00 0.00 C ATOM 84 C GLU A 84 4.300 10.540 -3.710 1.00 0.00 C ATOM 85 O GLU A 84 3.426 9.881 -4.278 1.00 0.00 O ATOM 86 CB GLU A 84 6.353 11.346 -4.857 1.00 0.00 C ATOM 87 CG GLU A 84 6.266 10.183 -5.856 1.00 0.00 C ATOM 88 CD GLU A 84 7.652 9.854 -6.395 1.00 0.00 C ATOM 89 OE1 GLU A 84 8.617 10.339 -5.829 1.00 0.00 O ATOM 90 OE2 GLU A 84 7.729 9.120 -7.367 1.00 0.00 O ATOM 0 H GLU A 84 5.903 13.312 -3.376 1.00 0.00 H new ATOM 0 HA GLU A 84 4.365 12.023 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.843 12.202 -5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.961 11.058 -3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.838 9.306 -5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.601 10.448 -6.678 1.00 0.00 H new ATOM 97 N ILE A 85 4.730 10.270 -2.481 1.00 0.00 N ATOM 98 CA ILE A 85 4.179 9.161 -1.717 1.00 0.00 C ATOM 99 C ILE A 85 2.669 9.337 -1.598 1.00 0.00 C ATOM 100 O ILE A 85 1.899 8.415 -1.855 1.00 0.00 O ATOM 101 CB ILE A 85 4.799 9.148 -0.312 1.00 0.00 C ATOM 102 CG1 ILE A 85 6.327 9.050 -0.414 1.00 0.00 C ATOM 103 CG2 ILE A 85 4.264 7.958 0.486 1.00 0.00 C ATOM 104 CD1 ILE A 85 6.945 9.190 0.982 1.00 0.00 C ATOM 0 H ILE A 85 5.454 10.802 -1.997 1.00 0.00 H new ATOM 0 HA ILE A 85 4.404 8.222 -2.223 1.00 0.00 H new ATOM 0 HB ILE A 85 4.530 10.073 0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.612 8.095 -0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.709 9.831 -1.072 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.709 7.957 1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.180 8.036 0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.520 7.031 -0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.030 9.120 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.672 10.156 1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.573 8.393 1.626 1.00 0.00 H new ATOM 116 N ARG A 86 2.256 10.538 -1.217 1.00 0.00 N ATOM 117 CA ARG A 86 0.837 10.831 -1.070 1.00 0.00 C ATOM 118 C ARG A 86 0.096 10.562 -2.386 1.00 0.00 C ATOM 119 O ARG A 86 -1.031 10.064 -2.386 1.00 0.00 O ATOM 120 CB ARG A 86 0.655 12.298 -0.634 1.00 0.00 C ATOM 121 CG ARG A 86 1.083 12.448 0.831 1.00 0.00 C ATOM 122 CD ARG A 86 1.038 13.921 1.252 1.00 0.00 C ATOM 123 NE ARG A 86 1.419 14.042 2.654 1.00 0.00 N ATOM 124 CZ ARG A 86 1.602 15.230 3.227 1.00 0.00 C ATOM 125 NH1 ARG A 86 1.392 16.329 2.552 1.00 0.00 N ATOM 126 NH2 ARG A 86 1.986 15.301 4.476 1.00 0.00 N ATOM 0 H ARG A 86 2.877 11.319 -1.006 1.00 0.00 H new ATOM 0 HA ARG A 86 0.415 10.180 -0.305 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.251 12.954 -1.268 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.386 12.598 -0.753 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.425 11.860 1.471 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.091 12.056 0.964 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.713 14.508 0.629 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.036 14.322 1.101 1.00 0.00 H new ATOM 0 HE ARG A 86 1.549 13.196 3.209 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.086 16.280 1.580 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.534 17.236 2.997 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.145 14.447 5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.126 16.211 4.915 1.00 0.00 H new ATOM 140 N GLU A 87 0.747 10.852 -3.506 1.00 0.00 N ATOM 141 CA GLU A 87 0.133 10.613 -4.811 1.00 0.00 C ATOM 142 C GLU A 87 0.112 9.119 -5.151 1.00 0.00 C ATOM 143 O GLU A 87 -0.954 8.506 -5.243 1.00 0.00 O ATOM 144 CB GLU A 87 0.905 11.375 -5.888 1.00 0.00 C ATOM 145 CG GLU A 87 0.735 12.881 -5.670 1.00 0.00 C ATOM 146 CD GLU A 87 -0.714 13.291 -5.920 1.00 0.00 C ATOM 147 OE1 GLU A 87 -1.409 12.553 -6.599 1.00 0.00 O ATOM 148 OE2 GLU A 87 -1.109 14.335 -5.425 1.00 0.00 O ATOM 0 H GLU A 87 1.687 11.247 -3.541 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.897 10.967 -4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.961 11.108 -5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.541 11.097 -6.877 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.024 13.143 -4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.396 13.430 -6.341 1.00 0.00 H new ATOM 155 N ALA A 88 1.300 8.557 -5.361 1.00 0.00 N ATOM 156 CA ALA A 88 1.438 7.147 -5.725 1.00 0.00 C ATOM 157 C ALA A 88 0.400 6.298 -5.001 1.00 0.00 C ATOM 158 O ALA A 88 -0.338 5.534 -5.625 1.00 0.00 O ATOM 159 CB ALA A 88 2.847 6.656 -5.386 1.00 0.00 C ATOM 0 H ALA A 88 2.185 9.058 -5.285 1.00 0.00 H new ATOM 0 HA ALA A 88 1.273 7.049 -6.798 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.942 5.605 -5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.580 7.243 -5.940 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.024 6.770 -4.317 1.00 0.00 H new ATOM 165 N PHE A 89 0.338 6.450 -3.688 1.00 0.00 N ATOM 166 CA PHE A 89 -0.626 5.707 -2.895 1.00 0.00 C ATOM 167 C PHE A 89 -2.064 6.110 -3.254 1.00 0.00 C ATOM 168 O PHE A 89 -2.939 5.254 -3.376 1.00 0.00 O ATOM 169 CB PHE A 89 -0.355 5.925 -1.401 1.00 0.00 C ATOM 170 CG PHE A 89 0.708 4.947 -0.926 1.00 0.00 C ATOM 171 CD1 PHE A 89 0.392 3.589 -0.787 1.00 0.00 C ATOM 172 CD2 PHE A 89 2.003 5.392 -0.644 1.00 0.00 C ATOM 173 CE1 PHE A 89 1.372 2.685 -0.367 1.00 0.00 C ATOM 174 CE2 PHE A 89 2.980 4.484 -0.228 1.00 0.00 C ATOM 175 CZ PHE A 89 2.666 3.136 -0.091 1.00 0.00 C ATOM 0 H PHE A 89 0.939 7.076 -3.153 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.515 4.646 -3.120 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.025 6.949 -1.227 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.273 5.785 -0.831 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.607 3.241 -1.004 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.248 6.439 -0.748 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.129 1.638 -0.256 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.980 4.829 -0.013 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.424 2.436 0.229 1.00 0.00 H new ATOM 185 N ARG A 90 -2.317 7.406 -3.426 1.00 0.00 N ATOM 186 CA ARG A 90 -3.670 7.845 -3.773 1.00 0.00 C ATOM 187 C ARG A 90 -4.124 7.138 -5.051 1.00 0.00 C ATOM 188 O ARG A 90 -5.248 6.645 -5.135 1.00 0.00 O ATOM 189 CB ARG A 90 -3.703 9.366 -3.949 1.00 0.00 C ATOM 190 CG ARG A 90 -4.024 10.031 -2.610 1.00 0.00 C ATOM 191 CD ARG A 90 -3.976 11.527 -2.806 1.00 0.00 C ATOM 192 NE ARG A 90 -4.257 12.222 -1.550 1.00 0.00 N ATOM 193 CZ ARG A 90 -5.510 12.465 -1.157 1.00 0.00 C ATOM 194 NH1 ARG A 90 -6.514 12.080 -1.901 1.00 0.00 N ATOM 195 NH2 ARG A 90 -5.738 13.086 -0.024 1.00 0.00 N ATOM 0 H ARG A 90 -1.627 8.152 -3.335 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.355 7.584 -2.966 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.742 9.720 -4.321 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.453 9.640 -4.691 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.010 9.724 -2.259 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.305 9.723 -1.850 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.994 11.819 -3.177 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.703 11.823 -3.562 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.481 12.527 -0.963 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.340 11.594 -2.781 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.471 12.265 -1.601 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.957 13.385 0.560 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.696 13.270 0.273 1.00 0.00 H new ATOM 209 N VAL A 91 -3.231 7.082 -6.031 1.00 0.00 N ATOM 210 CA VAL A 91 -3.526 6.425 -7.301 1.00 0.00 C ATOM 211 C VAL A 91 -3.816 4.943 -7.068 1.00 0.00 C ATOM 212 O VAL A 91 -4.715 4.370 -7.681 1.00 0.00 O ATOM 213 CB VAL A 91 -2.339 6.581 -8.260 1.00 0.00 C ATOM 214 CG1 VAL A 91 -2.605 5.812 -9.557 1.00 0.00 C ATOM 215 CG2 VAL A 91 -2.144 8.065 -8.585 1.00 0.00 C ATOM 0 H VAL A 91 -2.295 7.484 -5.972 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.405 6.893 -7.745 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.442 6.182 -7.786 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.756 5.930 -10.230 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.745 4.755 -9.331 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.504 6.203 -10.034 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.301 8.181 -9.266 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.047 8.456 -9.054 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.945 8.616 -7.666 1.00 0.00 H new ATOM 225 N PHE A 92 -3.037 4.332 -6.180 1.00 0.00 N ATOM 226 CA PHE A 92 -3.205 2.912 -5.873 1.00 0.00 C ATOM 227 C PHE A 92 -4.618 2.640 -5.354 1.00 0.00 C ATOM 228 O PHE A 92 -5.302 1.743 -5.847 1.00 0.00 O ATOM 229 CB PHE A 92 -2.164 2.479 -4.822 1.00 0.00 C ATOM 230 CG PHE A 92 -0.892 2.025 -5.506 1.00 0.00 C ATOM 231 CD1 PHE A 92 -0.389 2.741 -6.599 1.00 0.00 C ATOM 232 CD2 PHE A 92 -0.229 0.881 -5.053 1.00 0.00 C ATOM 233 CE1 PHE A 92 0.775 2.309 -7.240 1.00 0.00 C ATOM 234 CE2 PHE A 92 0.939 0.451 -5.693 1.00 0.00 C ATOM 235 CZ PHE A 92 1.439 1.165 -6.787 1.00 0.00 C ATOM 0 H PHE A 92 -2.288 4.792 -5.663 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.055 2.336 -6.786 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.948 3.309 -4.149 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.566 1.670 -4.212 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.900 3.627 -6.946 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.618 0.329 -4.210 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.162 2.859 -8.085 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.454 -0.431 -5.343 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.339 0.832 -7.282 1.00 0.00 H new ATOM 245 N ASP A 93 -5.055 3.409 -4.363 1.00 0.00 N ATOM 246 CA ASP A 93 -6.389 3.212 -3.808 1.00 0.00 C ATOM 247 C ASP A 93 -7.397 3.079 -4.947 1.00 0.00 C ATOM 248 O ASP A 93 -7.894 4.077 -5.467 1.00 0.00 O ATOM 249 CB ASP A 93 -6.763 4.404 -2.929 1.00 0.00 C ATOM 250 CG ASP A 93 -8.094 4.153 -2.229 1.00 0.00 C ATOM 251 OD1 ASP A 93 -8.707 3.131 -2.504 1.00 0.00 O ATOM 252 OD2 ASP A 93 -8.471 4.983 -1.417 1.00 0.00 O ATOM 0 H ASP A 93 -4.517 4.161 -3.934 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.400 2.305 -3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.982 4.576 -2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.830 5.306 -3.538 1.00 0.00 H new ATOM 257 N LYS A 94 -7.674 1.838 -5.342 1.00 0.00 N ATOM 258 CA LYS A 94 -8.601 1.587 -6.444 1.00 0.00 C ATOM 259 C LYS A 94 -9.912 2.320 -6.206 1.00 0.00 C ATOM 260 O LYS A 94 -10.354 3.125 -7.027 1.00 0.00 O ATOM 261 CB LYS A 94 -8.854 0.057 -6.560 1.00 0.00 C ATOM 262 CG LYS A 94 -8.655 -0.436 -8.004 1.00 0.00 C ATOM 263 CD LYS A 94 -7.162 -0.594 -8.291 1.00 0.00 C ATOM 264 CE LYS A 94 -6.977 -1.124 -9.711 1.00 0.00 C ATOM 265 NZ LYS A 94 -7.495 -0.118 -10.682 1.00 0.00 N ATOM 0 H LYS A 94 -7.275 0.999 -4.921 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.166 1.954 -7.374 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.176 -0.477 -5.895 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.868 -0.172 -6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.166 -1.388 -8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.097 0.272 -8.705 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.655 0.364 -8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.712 -1.279 -7.573 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.923 -1.323 -9.903 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.507 -2.069 -9.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.096 -0.307 -11.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.532 -0.181 -10.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.219 0.836 -10.374 1.00 0.00 H new ATOM 279 N ASP A 95 -10.532 2.027 -5.077 1.00 0.00 N ATOM 280 CA ASP A 95 -11.796 2.645 -4.732 1.00 0.00 C ATOM 281 C ASP A 95 -11.588 4.106 -4.359 1.00 0.00 C ATOM 282 O ASP A 95 -12.504 4.764 -3.863 1.00 0.00 O ATOM 283 CB ASP A 95 -12.417 1.891 -3.558 1.00 0.00 C ATOM 284 CG ASP A 95 -12.878 0.509 -4.011 1.00 0.00 C ATOM 285 OD1 ASP A 95 -13.017 0.312 -5.207 1.00 0.00 O ATOM 286 OD2 ASP A 95 -13.081 -0.336 -3.154 1.00 0.00 O ATOM 0 H ASP A 95 -10.180 1.365 -4.385 1.00 0.00 H new ATOM 0 HA ASP A 95 -12.464 2.601 -5.592 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -11.690 1.795 -2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -13.262 2.453 -3.160 1.00 0.00 H new ATOM 291 N GLY A 96 -10.372 4.594 -4.608 1.00 0.00 N ATOM 292 CA GLY A 96 -10.009 5.982 -4.314 1.00 0.00 C ATOM 293 C GLY A 96 -10.781 6.530 -3.114 1.00 0.00 C ATOM 294 O GLY A 96 -11.398 7.591 -3.199 1.00 0.00 O ATOM 0 H GLY A 96 -9.616 4.044 -5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.939 6.043 -4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.208 6.602 -5.188 1.00 0.00 H new ATOM 298 N ASN A 97 -10.747 5.798 -1.994 1.00 0.00 N ATOM 299 CA ASN A 97 -11.458 6.223 -0.782 1.00 0.00 C ATOM 300 C ASN A 97 -10.500 6.778 0.270 1.00 0.00 C ATOM 301 O ASN A 97 -10.893 7.013 1.411 1.00 0.00 O ATOM 302 CB ASN A 97 -12.266 5.053 -0.203 1.00 0.00 C ATOM 303 CG ASN A 97 -11.393 3.811 -0.036 1.00 0.00 C ATOM 304 OD1 ASN A 97 -10.097 3.928 0.000 1.00 0.00 O flip ATOM 305 ND2 ASN A 97 -11.911 2.699 0.063 1.00 0.00 N flip ATOM 0 H ASN A 97 -10.240 4.918 -1.901 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.140 7.025 -1.062 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.685 5.339 0.762 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.105 4.826 -0.861 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.926 2.605 0.035 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.325 1.871 0.173 1.00 0.00 H new ATOM 312 N GLY A 98 -9.251 7.013 -0.122 1.00 0.00 N ATOM 313 CA GLY A 98 -8.269 7.569 0.804 1.00 0.00 C ATOM 314 C GLY A 98 -7.773 6.525 1.795 1.00 0.00 C ATOM 315 O GLY A 98 -7.470 6.840 2.945 1.00 0.00 O ATOM 0 H GLY A 98 -8.898 6.830 -1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.424 7.967 0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.713 8.404 1.347 1.00 0.00 H new ATOM 319 N TYR A 99 -7.691 5.284 1.340 1.00 0.00 N ATOM 320 CA TYR A 99 -7.222 4.188 2.183 1.00 0.00 C ATOM 321 C TYR A 99 -6.633 3.080 1.309 1.00 0.00 C ATOM 322 O TYR A 99 -6.901 3.033 0.109 1.00 0.00 O ATOM 323 CB TYR A 99 -8.380 3.655 3.024 1.00 0.00 C ATOM 324 CG TYR A 99 -8.701 4.651 4.115 1.00 0.00 C ATOM 325 CD1 TYR A 99 -7.900 4.707 5.262 1.00 0.00 C ATOM 326 CD2 TYR A 99 -9.789 5.519 3.978 1.00 0.00 C ATOM 327 CE1 TYR A 99 -8.190 5.631 6.275 1.00 0.00 C ATOM 328 CE2 TYR A 99 -10.080 6.444 4.989 1.00 0.00 C ATOM 329 CZ TYR A 99 -9.280 6.500 6.138 1.00 0.00 C ATOM 330 OH TYR A 99 -9.567 7.410 7.135 1.00 0.00 O ATOM 0 H TYR A 99 -7.943 5.008 0.391 1.00 0.00 H new ATOM 0 HA TYR A 99 -6.443 4.550 2.854 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -9.256 3.490 2.396 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -8.115 2.692 3.461 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -7.059 4.038 5.366 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -10.405 5.476 3.092 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.573 5.673 7.161 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -10.921 7.114 4.883 1.00 0.00 H new ATOM 0 HH TYR A 99 -10.354 7.936 6.881 1.00 0.00 H new ATOM 340 N ILE A 100 -5.813 2.198 1.895 1.00 0.00 N ATOM 341 CA ILE A 100 -5.184 1.114 1.118 1.00 0.00 C ATOM 342 C ILE A 100 -5.527 -0.266 1.673 1.00 0.00 C ATOM 343 O ILE A 100 -5.257 -0.555 2.841 1.00 0.00 O ATOM 344 CB ILE A 100 -3.669 1.288 1.165 1.00 0.00 C ATOM 345 CG1 ILE A 100 -3.289 2.675 0.618 1.00 0.00 C ATOM 346 CG2 ILE A 100 -2.984 0.192 0.341 1.00 0.00 C ATOM 347 CD1 ILE A 100 -3.736 2.836 -0.842 1.00 0.00 C ATOM 0 H ILE A 100 -5.571 2.209 2.886 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.562 1.175 0.098 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.334 1.207 2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.751 3.450 1.230 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.210 2.814 0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.903 0.327 0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.243 -0.785 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.318 0.253 -0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.454 3.826 -1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.254 2.076 -1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.818 2.721 -0.906 1.00 0.00 H new ATOM 359 N SER A 101 -6.097 -1.121 0.808 1.00 0.00 N ATOM 360 CA SER A 101 -6.462 -2.495 1.177 1.00 0.00 C ATOM 361 C SER A 101 -5.505 -3.483 0.519 1.00 0.00 C ATOM 362 O SER A 101 -4.797 -3.141 -0.428 1.00 0.00 O ATOM 363 CB SER A 101 -7.885 -2.819 0.717 1.00 0.00 C ATOM 364 OG SER A 101 -8.037 -4.234 0.644 1.00 0.00 O ATOM 0 H SER A 101 -6.316 -0.880 -0.159 1.00 0.00 H new ATOM 0 HA SER A 101 -6.403 -2.579 2.262 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.611 -2.398 1.412 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.078 -2.369 -0.257 1.00 0.00 H new ATOM 0 HG SER A 101 -8.947 -4.451 0.352 1.00 0.00 H new ATOM 370 N ALA A 102 -5.489 -4.704 1.039 1.00 0.00 N ATOM 371 CA ALA A 102 -4.610 -5.749 0.521 1.00 0.00 C ATOM 372 C ALA A 102 -5.041 -6.231 -0.860 1.00 0.00 C ATOM 373 O ALA A 102 -4.202 -6.552 -1.703 1.00 0.00 O ATOM 374 CB ALA A 102 -4.583 -6.932 1.508 1.00 0.00 C ATOM 0 H ALA A 102 -6.075 -4.997 1.821 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.611 -5.325 0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.927 -7.713 1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.212 -6.591 2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.591 -7.330 1.626 1.00 0.00 H new ATOM 380 N ALA A 103 -6.342 -6.312 -1.080 1.00 0.00 N ATOM 381 CA ALA A 103 -6.856 -6.792 -2.355 1.00 0.00 C ATOM 382 C ALA A 103 -6.411 -5.897 -3.506 1.00 0.00 C ATOM 383 O ALA A 103 -6.125 -6.376 -4.610 1.00 0.00 O ATOM 384 CB ALA A 103 -8.382 -6.833 -2.292 1.00 0.00 C ATOM 0 H ALA A 103 -7.058 -6.055 -0.400 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.459 -7.791 -2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.776 -7.191 -3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.695 -7.505 -1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.765 -5.832 -2.095 1.00 0.00 H new ATOM 390 N GLU A 104 -6.359 -4.596 -3.254 1.00 0.00 N ATOM 391 CA GLU A 104 -5.960 -3.648 -4.279 1.00 0.00 C ATOM 392 C GLU A 104 -4.490 -3.818 -4.647 1.00 0.00 C ATOM 393 O GLU A 104 -4.105 -3.582 -5.791 1.00 0.00 O ATOM 394 CB GLU A 104 -6.187 -2.224 -3.777 1.00 0.00 C ATOM 395 CG GLU A 104 -7.646 -2.071 -3.361 1.00 0.00 C ATOM 396 CD GLU A 104 -7.910 -0.646 -2.877 1.00 0.00 C ATOM 397 OE1 GLU A 104 -7.142 -0.169 -2.056 1.00 0.00 O ATOM 398 OE2 GLU A 104 -8.879 -0.058 -3.332 1.00 0.00 O ATOM 0 H GLU A 104 -6.587 -4.177 -2.353 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.565 -3.836 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.531 -2.013 -2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.941 -1.505 -4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.298 -2.304 -4.203 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.882 -2.782 -2.569 1.00 0.00 H new ATOM 405 N LEU A 105 -3.667 -4.209 -3.672 1.00 0.00 N ATOM 406 CA LEU A 105 -2.240 -4.382 -3.930 1.00 0.00 C ATOM 407 C LEU A 105 -1.989 -5.481 -4.952 1.00 0.00 C ATOM 408 O LEU A 105 -1.230 -5.290 -5.894 1.00 0.00 O ATOM 409 CB LEU A 105 -1.522 -4.741 -2.635 1.00 0.00 C ATOM 410 CG LEU A 105 -1.646 -3.590 -1.628 1.00 0.00 C ATOM 411 CD1 LEU A 105 -0.980 -4.007 -0.311 1.00 0.00 C ATOM 412 CD2 LEU A 105 -0.981 -2.311 -2.178 1.00 0.00 C ATOM 0 H LEU A 105 -3.958 -4.408 -2.715 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.858 -3.442 -4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.949 -5.651 -2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.471 -4.946 -2.837 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.701 -3.375 -1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.063 -3.195 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.475 -4.895 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.072 -4.228 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.080 -1.507 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.075 -2.502 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.468 -2.019 -3.108 1.00 0.00 H new ATOM 424 N ARG A 106 -2.617 -6.632 -4.770 1.00 0.00 N ATOM 425 CA ARG A 106 -2.419 -7.722 -5.709 1.00 0.00 C ATOM 426 C ARG A 106 -2.989 -7.371 -7.075 1.00 0.00 C ATOM 427 O ARG A 106 -2.364 -7.643 -8.099 1.00 0.00 O ATOM 428 CB ARG A 106 -3.050 -9.013 -5.185 1.00 0.00 C ATOM 429 CG ARG A 106 -4.438 -8.723 -4.623 1.00 0.00 C ATOM 430 CD ARG A 106 -5.045 -10.021 -4.108 1.00 0.00 C ATOM 431 NE ARG A 106 -5.356 -10.898 -5.230 1.00 0.00 N ATOM 432 CZ ARG A 106 -5.908 -12.097 -5.043 1.00 0.00 C ATOM 433 NH1 ARG A 106 -6.233 -12.496 -3.840 1.00 0.00 N ATOM 434 NH2 ARG A 106 -6.134 -12.878 -6.069 1.00 0.00 N ATOM 0 H ARG A 106 -3.254 -6.833 -3.999 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.346 -7.881 -5.815 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.120 -9.746 -5.989 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.418 -9.448 -4.411 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.373 -7.992 -3.817 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -5.074 -8.290 -5.395 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.349 -10.515 -3.430 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -5.950 -9.809 -3.538 1.00 0.00 H new ATOM 0 HE ARG A 106 -5.147 -10.588 -6.179 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -6.064 -11.888 -3.038 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.655 -13.415 -3.704 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.888 -12.569 -7.009 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -6.556 -13.796 -5.928 1.00 0.00 H new ATOM 448 N HIS A 107 -4.176 -6.772 -7.102 1.00 0.00 N ATOM 449 CA HIS A 107 -4.799 -6.404 -8.370 1.00 0.00 C ATOM 450 C HIS A 107 -4.011 -5.304 -9.086 1.00 0.00 C ATOM 451 O HIS A 107 -3.697 -5.426 -10.271 1.00 0.00 O ATOM 452 CB HIS A 107 -6.211 -5.909 -8.092 1.00 0.00 C ATOM 453 CG HIS A 107 -6.888 -5.522 -9.377 1.00 0.00 C ATOM 454 ND1 HIS A 107 -6.449 -4.466 -10.162 1.00 0.00 N ATOM 455 CD2 HIS A 107 -8.002 -6.017 -10.006 1.00 0.00 C ATOM 456 CE1 HIS A 107 -7.290 -4.360 -11.207 1.00 0.00 C ATOM 457 NE2 HIS A 107 -8.255 -5.282 -11.160 1.00 0.00 N ATOM 0 H HIS A 107 -4.720 -6.534 -6.273 1.00 0.00 H new ATOM 0 HA HIS A 107 -4.814 -7.281 -9.017 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.785 -6.688 -7.590 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -6.178 -5.053 -7.418 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -8.593 -6.851 -9.658 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -7.196 -3.620 -11.988 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -9.015 -5.418 -11.827 1.00 0.00 H new ATOM 466 N VAL A 108 -3.706 -4.224 -8.367 1.00 0.00 N ATOM 467 CA VAL A 108 -2.966 -3.117 -8.968 1.00 0.00 C ATOM 468 C VAL A 108 -1.562 -3.566 -9.382 1.00 0.00 C ATOM 469 O VAL A 108 -1.136 -3.312 -10.502 1.00 0.00 O ATOM 470 CB VAL A 108 -2.892 -1.924 -7.996 1.00 0.00 C ATOM 471 CG1 VAL A 108 -1.819 -2.172 -6.935 1.00 0.00 C ATOM 472 CG2 VAL A 108 -2.545 -0.648 -8.767 1.00 0.00 C ATOM 0 H VAL A 108 -3.954 -4.093 -7.386 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.498 -2.796 -9.864 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.861 -1.811 -7.511 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.777 -1.322 -6.254 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.064 -3.074 -6.374 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.851 -2.297 -7.419 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.494 0.193 -8.075 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.581 -0.772 -9.260 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.313 -0.455 -9.516 1.00 0.00 H new ATOM 482 N MET A 109 -0.845 -4.226 -8.475 1.00 0.00 N ATOM 483 CA MET A 109 0.507 -4.680 -8.788 1.00 0.00 C ATOM 484 C MET A 109 0.474 -5.644 -9.965 1.00 0.00 C ATOM 485 O MET A 109 1.267 -5.527 -10.901 1.00 0.00 O ATOM 486 CB MET A 109 1.124 -5.368 -7.572 1.00 0.00 C ATOM 487 CG MET A 109 1.356 -4.329 -6.466 1.00 0.00 C ATOM 488 SD MET A 109 2.703 -3.215 -6.942 1.00 0.00 S ATOM 489 CE MET A 109 4.081 -4.255 -6.387 1.00 0.00 C ATOM 0 H MET A 109 -1.170 -4.455 -7.535 1.00 0.00 H new ATOM 0 HA MET A 109 1.115 -3.815 -9.053 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.464 -6.158 -7.213 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.067 -5.841 -7.847 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.444 -3.758 -6.294 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.600 -4.830 -5.529 1.00 0.00 H new ATOM 0 HE1 MET A 109 5.017 -3.705 -6.491 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.934 -4.526 -5.342 1.00 0.00 H new ATOM 0 HE3 MET A 109 4.122 -5.159 -6.994 1.00 0.00 H new ATOM 499 N THR A 110 -0.454 -6.589 -9.916 1.00 0.00 N ATOM 500 CA THR A 110 -0.598 -7.565 -10.986 1.00 0.00 C ATOM 501 C THR A 110 -0.964 -6.854 -12.287 1.00 0.00 C ATOM 502 O THR A 110 -0.471 -7.201 -13.359 1.00 0.00 O ATOM 503 CB THR A 110 -1.683 -8.585 -10.624 1.00 0.00 C ATOM 504 OG1 THR A 110 -1.296 -9.286 -9.446 1.00 0.00 O ATOM 505 CG2 THR A 110 -1.860 -9.574 -11.778 1.00 0.00 C ATOM 0 H THR A 110 -1.117 -6.700 -9.149 1.00 0.00 H new ATOM 0 HA THR A 110 0.348 -8.090 -11.119 1.00 0.00 H new ATOM 0 HB THR A 110 -2.626 -8.069 -10.446 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.886 -9.033 -8.706 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.632 -10.299 -11.520 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.155 -9.034 -12.678 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.919 -10.094 -11.959 1.00 0.00 H new ATOM 513 N ASN A 111 -1.818 -5.842 -12.173 1.00 0.00 N ATOM 514 CA ASN A 111 -2.235 -5.056 -13.331 1.00 0.00 C ATOM 515 C ASN A 111 -1.074 -4.203 -13.841 1.00 0.00 C ATOM 516 O ASN A 111 -0.903 -4.016 -15.047 1.00 0.00 O ATOM 517 CB ASN A 111 -3.403 -4.157 -12.944 1.00 0.00 C ATOM 518 CG ASN A 111 -3.849 -3.337 -14.151 1.00 0.00 C ATOM 519 OD1 ASN A 111 -4.025 -2.123 -14.047 1.00 0.00 O ATOM 520 ND2 ASN A 111 -4.044 -3.932 -15.298 1.00 0.00 N ATOM 0 H ASN A 111 -2.235 -5.546 -11.291 1.00 0.00 H new ATOM 0 HA ASN A 111 -2.545 -5.735 -14.125 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -4.233 -4.761 -12.577 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -3.109 -3.493 -12.131 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.343 -3.390 -16.109 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -3.898 -4.938 -15.382 1.00 0.00 H new ATOM 527 N LEU A 112 -0.287 -3.691 -12.901 1.00 0.00 N ATOM 528 CA LEU A 112 0.866 -2.854 -13.224 1.00 0.00 C ATOM 529 C LEU A 112 1.891 -3.659 -14.013 1.00 0.00 C ATOM 530 O LEU A 112 2.572 -3.124 -14.887 1.00 0.00 O ATOM 531 CB LEU A 112 1.503 -2.313 -11.934 1.00 0.00 C ATOM 532 CG LEU A 112 0.701 -1.103 -11.407 1.00 0.00 C ATOM 533 CD1 LEU A 112 1.101 -0.822 -9.952 1.00 0.00 C ATOM 534 CD2 LEU A 112 0.963 0.153 -12.273 1.00 0.00 C ATOM 0 H LEU A 112 -0.427 -3.842 -11.902 1.00 0.00 H new ATOM 0 HA LEU A 112 0.532 -2.014 -13.832 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.531 -3.097 -11.177 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.535 -2.019 -12.126 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.362 -1.339 -11.460 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.536 0.032 -9.578 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.884 -1.697 -9.340 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.167 -0.601 -9.904 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.387 0.991 -11.882 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.025 0.398 -12.246 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.662 -0.045 -13.302 1.00 0.00 H new ATOM 546 N GLY A 113 1.999 -4.948 -13.695 1.00 0.00 N ATOM 547 CA GLY A 113 2.953 -5.828 -14.375 1.00 0.00 C ATOM 548 C GLY A 113 3.980 -6.379 -13.390 1.00 0.00 C ATOM 549 O GLY A 113 4.717 -7.312 -13.706 1.00 0.00 O ATOM 0 H GLY A 113 1.441 -5.406 -12.974 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.420 -6.652 -14.850 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.461 -5.278 -15.167 1.00 0.00 H new ATOM 553 N GLU A 114 4.023 -5.797 -12.195 1.00 0.00 N ATOM 554 CA GLU A 114 4.965 -6.242 -11.169 1.00 0.00 C ATOM 555 C GLU A 114 4.549 -7.608 -10.615 1.00 0.00 C ATOM 556 O GLU A 114 3.386 -7.999 -10.712 1.00 0.00 O ATOM 557 CB GLU A 114 5.019 -5.211 -10.039 1.00 0.00 C ATOM 558 CG GLU A 114 5.648 -3.914 -10.554 1.00 0.00 C ATOM 559 CD GLU A 114 7.118 -4.140 -10.894 1.00 0.00 C ATOM 560 OE1 GLU A 114 7.834 -4.633 -10.035 1.00 0.00 O ATOM 561 OE2 GLU A 114 7.507 -3.820 -12.004 1.00 0.00 O ATOM 0 H GLU A 114 3.422 -5.022 -11.913 1.00 0.00 H new ATOM 0 HA GLU A 114 5.954 -6.339 -11.616 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.014 -5.015 -9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.601 -5.602 -9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.112 -3.567 -11.437 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.558 -3.133 -9.799 1.00 0.00 H new ATOM 568 N LYS A 115 5.521 -8.337 -10.047 1.00 0.00 N ATOM 569 CA LYS A 115 5.265 -9.675 -9.489 1.00 0.00 C ATOM 570 C LYS A 115 5.402 -9.667 -7.967 1.00 0.00 C ATOM 571 O LYS A 115 6.337 -9.082 -7.419 1.00 0.00 O ATOM 572 CB LYS A 115 6.256 -10.674 -10.086 1.00 0.00 C ATOM 573 CG LYS A 115 5.990 -10.808 -11.587 1.00 0.00 C ATOM 574 CD LYS A 115 6.970 -11.814 -12.192 1.00 0.00 C ATOM 575 CE LYS A 115 6.661 -12.003 -13.679 1.00 0.00 C ATOM 576 NZ LYS A 115 6.875 -10.719 -14.404 1.00 0.00 N ATOM 0 H LYS A 115 6.488 -8.025 -9.962 1.00 0.00 H new ATOM 0 HA LYS A 115 4.246 -9.966 -9.742 1.00 0.00 H new ATOM 0 HB2 LYS A 115 7.278 -10.338 -9.914 1.00 0.00 H new ATOM 0 HB3 LYS A 115 6.153 -11.643 -9.598 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.965 -11.136 -11.757 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.100 -9.839 -12.074 1.00 0.00 H new ATOM 0 HD2 LYS A 115 7.993 -11.461 -12.065 1.00 0.00 H new ATOM 0 HD3 LYS A 115 6.895 -12.768 -11.671 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.302 -12.779 -14.098 1.00 0.00 H new ATOM 0 HE3 LYS A 115 5.631 -12.337 -13.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.445 -10.892 -15.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.956 -10.318 -14.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.374 -10.049 -13.784 1.00 0.00 H new ATOM 590 N LEU A 116 4.474 -10.347 -7.293 1.00 0.00 N ATOM 591 CA LEU A 116 4.493 -10.446 -5.835 1.00 0.00 C ATOM 592 C LEU A 116 3.761 -11.710 -5.376 1.00 0.00 C ATOM 593 O LEU A 116 3.046 -12.336 -6.158 1.00 0.00 O ATOM 594 CB LEU A 116 3.826 -9.210 -5.224 1.00 0.00 C ATOM 595 CG LEU A 116 2.308 -9.229 -5.475 1.00 0.00 C ATOM 596 CD1 LEU A 116 1.702 -7.933 -4.931 1.00 0.00 C ATOM 597 CD2 LEU A 116 2.017 -9.357 -6.982 1.00 0.00 C ATOM 0 H LEU A 116 3.698 -10.839 -7.736 1.00 0.00 H new ATOM 0 HA LEU A 116 5.529 -10.501 -5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.022 -9.178 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.259 -8.307 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 116 1.865 -10.086 -4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.626 -7.934 -5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.898 -7.860 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.150 -7.080 -5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.939 -9.369 -7.145 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.454 -8.510 -7.510 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.451 -10.283 -7.359 1.00 0.00 H new ATOM 609 N THR A 117 3.905 -12.065 -4.094 1.00 0.00 N ATOM 610 CA THR A 117 3.213 -13.235 -3.540 1.00 0.00 C ATOM 611 C THR A 117 1.948 -12.784 -2.801 1.00 0.00 C ATOM 612 O THR A 117 2.011 -11.960 -1.891 1.00 0.00 O ATOM 613 CB THR A 117 4.138 -13.981 -2.562 1.00 0.00 C ATOM 614 OG1 THR A 117 4.880 -13.037 -1.804 1.00 0.00 O ATOM 615 CG2 THR A 117 5.102 -14.880 -3.340 1.00 0.00 C ATOM 0 H THR A 117 4.490 -11.564 -3.425 1.00 0.00 H new ATOM 0 HA THR A 117 2.940 -13.904 -4.356 1.00 0.00 H new ATOM 0 HB THR A 117 3.535 -14.596 -1.895 1.00 0.00 H new ATOM 0 HG1 THR A 117 5.654 -12.736 -2.324 1.00 0.00 H new ATOM 0 HG21 THR A 117 5.754 -15.405 -2.642 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.534 -15.606 -3.921 1.00 0.00 H new ATOM 0 HG23 THR A 117 5.706 -14.270 -4.012 1.00 0.00 H new ATOM 623 N ASP A 118 0.800 -13.322 -3.207 1.00 0.00 N ATOM 624 CA ASP A 118 -0.470 -12.956 -2.582 1.00 0.00 C ATOM 625 C ASP A 118 -0.414 -13.173 -1.072 1.00 0.00 C ATOM 626 O ASP A 118 -0.874 -12.336 -0.296 1.00 0.00 O ATOM 627 CB ASP A 118 -1.603 -13.797 -3.174 1.00 0.00 C ATOM 628 CG ASP A 118 -1.267 -15.277 -3.057 1.00 0.00 C ATOM 629 OD1 ASP A 118 -0.109 -15.581 -2.815 1.00 0.00 O ATOM 630 OD2 ASP A 118 -2.170 -16.086 -3.211 1.00 0.00 O ATOM 0 H ASP A 118 0.722 -14.007 -3.959 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.655 -11.900 -2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.536 -13.585 -2.652 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.756 -13.532 -4.220 1.00 0.00 H new ATOM 635 N GLU A 119 0.131 -14.304 -0.661 1.00 0.00 N ATOM 636 CA GLU A 119 0.222 -14.614 0.755 1.00 0.00 C ATOM 637 C GLU A 119 1.015 -13.530 1.491 1.00 0.00 C ATOM 638 O GLU A 119 0.746 -13.225 2.662 1.00 0.00 O ATOM 639 CB GLU A 119 0.904 -15.970 0.934 1.00 0.00 C ATOM 640 CG GLU A 119 0.167 -17.021 0.098 1.00 0.00 C ATOM 641 CD GLU A 119 0.603 -18.427 0.507 1.00 0.00 C ATOM 642 OE1 GLU A 119 0.387 -18.786 1.654 1.00 0.00 O ATOM 643 OE2 GLU A 119 1.138 -19.129 -0.337 1.00 0.00 O ATOM 0 H GLU A 119 0.514 -15.018 -1.281 1.00 0.00 H new ATOM 0 HA GLU A 119 -0.783 -14.652 1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.947 -15.909 0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.899 -16.256 1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.909 -16.913 0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.373 -16.863 -0.961 1.00 0.00 H new ATOM 650 N GLU A 120 1.944 -12.905 0.775 1.00 0.00 N ATOM 651 CA GLU A 120 2.732 -11.817 1.349 1.00 0.00 C ATOM 652 C GLU A 120 1.882 -10.555 1.427 1.00 0.00 C ATOM 653 O GLU A 120 1.905 -9.846 2.426 1.00 0.00 O ATOM 654 CB GLU A 120 3.986 -11.546 0.512 1.00 0.00 C ATOM 655 CG GLU A 120 4.843 -10.476 1.195 1.00 0.00 C ATOM 656 CD GLU A 120 6.085 -10.200 0.358 1.00 0.00 C ATOM 657 OE1 GLU A 120 6.139 -10.684 -0.760 1.00 0.00 O ATOM 658 OE2 GLU A 120 6.962 -9.501 0.842 1.00 0.00 O ATOM 0 H GLU A 120 2.169 -13.129 -0.194 1.00 0.00 H new ATOM 0 HA GLU A 120 3.046 -12.111 2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 120 4.561 -12.464 0.393 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.703 -11.215 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.266 -9.560 1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.131 -10.809 2.192 1.00 0.00 H new ATOM 665 N VAL A 121 1.119 -10.290 0.364 1.00 0.00 N ATOM 666 CA VAL A 121 0.249 -9.118 0.330 1.00 0.00 C ATOM 667 C VAL A 121 -0.608 -9.092 1.591 1.00 0.00 C ATOM 668 O VAL A 121 -0.441 -8.241 2.461 1.00 0.00 O ATOM 669 CB VAL A 121 -0.656 -9.179 -0.905 1.00 0.00 C ATOM 670 CG1 VAL A 121 -1.693 -8.062 -0.845 1.00 0.00 C ATOM 671 CG2 VAL A 121 0.177 -9.018 -2.177 1.00 0.00 C ATOM 0 H VAL A 121 1.087 -10.867 -0.477 1.00 0.00 H new ATOM 0 HA VAL A 121 0.858 -8.215 0.282 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.158 -10.146 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.333 -8.112 -1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.301 -8.178 0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -1.187 -7.097 -0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.477 -9.063 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.689 -8.056 -2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.913 -9.820 -2.234 1.00 0.00 H new ATOM 681 N ASP A 122 -1.530 -10.040 1.679 1.00 0.00 N ATOM 682 CA ASP A 122 -2.409 -10.131 2.835 1.00 0.00 C ATOM 683 C ASP A 122 -1.605 -9.961 4.121 1.00 0.00 C ATOM 684 O ASP A 122 -2.006 -9.217 5.014 1.00 0.00 O ATOM 685 CB ASP A 122 -3.101 -11.493 2.831 1.00 0.00 C ATOM 686 CG ASP A 122 -4.218 -11.538 3.869 1.00 0.00 C ATOM 687 OD1 ASP A 122 -4.166 -10.758 4.805 1.00 0.00 O ATOM 688 OD2 ASP A 122 -5.107 -12.360 3.711 1.00 0.00 O ATOM 0 H ASP A 122 -1.688 -10.754 0.967 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.157 -9.340 2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.510 -11.695 1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.373 -12.276 3.040 1.00 0.00 H new ATOM 693 N GLU A 123 -0.461 -10.639 4.211 1.00 0.00 N ATOM 694 CA GLU A 123 0.377 -10.517 5.401 1.00 0.00 C ATOM 695 C GLU A 123 1.030 -9.126 5.480 1.00 0.00 C ATOM 696 O GLU A 123 1.344 -8.637 6.567 1.00 0.00 O ATOM 697 CB GLU A 123 1.466 -11.592 5.391 1.00 0.00 C ATOM 698 CG GLU A 123 2.272 -11.526 6.694 1.00 0.00 C ATOM 699 CD GLU A 123 3.345 -12.610 6.693 1.00 0.00 C ATOM 700 OE1 GLU A 123 4.362 -12.410 6.047 1.00 0.00 O ATOM 701 OE2 GLU A 123 3.135 -13.621 7.339 1.00 0.00 O ATOM 0 H GLU A 123 -0.100 -11.265 3.491 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.261 -10.651 6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.015 -12.578 5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 123 2.126 -11.446 4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.734 -10.544 6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.609 -11.658 7.549 1.00 0.00 H new ATOM 708 N MET A 124 1.275 -8.519 4.319 1.00 0.00 N ATOM 709 CA MET A 124 1.933 -7.204 4.251 1.00 0.00 C ATOM 710 C MET A 124 1.202 -6.170 5.090 1.00 0.00 C ATOM 711 O MET A 124 1.725 -5.693 6.101 1.00 0.00 O ATOM 712 CB MET A 124 1.958 -6.730 2.802 1.00 0.00 C ATOM 713 CG MET A 124 2.914 -5.549 2.653 1.00 0.00 C ATOM 714 SD MET A 124 4.626 -6.131 2.809 1.00 0.00 S ATOM 715 CE MET A 124 5.256 -5.510 1.225 1.00 0.00 C ATOM 0 H MET A 124 1.030 -8.912 3.410 1.00 0.00 H new ATOM 0 HA MET A 124 2.945 -7.313 4.641 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.271 -7.545 2.150 1.00 0.00 H new ATOM 0 HB3 MET A 124 0.955 -6.438 2.489 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.769 -5.070 1.685 1.00 0.00 H new ATOM 0 HG3 MET A 124 2.703 -4.799 3.415 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.310 -5.769 1.126 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.693 -5.961 0.408 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.144 -4.426 1.188 1.00 0.00 H new ATOM 725 N ILE A 125 -0.002 -5.805 4.662 1.00 0.00 N ATOM 726 CA ILE A 125 -0.784 -4.809 5.378 1.00 0.00 C ATOM 727 C ILE A 125 -0.996 -5.254 6.822 1.00 0.00 C ATOM 728 O ILE A 125 -0.889 -4.459 7.750 1.00 0.00 O ATOM 729 CB ILE A 125 -2.160 -4.621 4.684 1.00 0.00 C ATOM 730 CG1 ILE A 125 -2.008 -3.711 3.441 1.00 0.00 C ATOM 731 CG2 ILE A 125 -3.183 -4.018 5.674 1.00 0.00 C ATOM 732 CD1 ILE A 125 -3.337 -3.631 2.667 1.00 0.00 C ATOM 0 H ILE A 125 -0.453 -6.182 3.829 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.244 -3.862 5.370 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.527 -5.595 4.361 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.699 -2.712 3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -1.224 -4.101 2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -4.143 -3.892 5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.303 -4.687 6.526 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.825 -3.049 6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.213 -2.987 1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.629 -4.629 2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.111 -3.220 3.315 1.00 0.00 H new ATOM 744 N ARG A 126 -1.318 -6.520 6.998 1.00 0.00 N ATOM 745 CA ARG A 126 -1.577 -7.045 8.329 1.00 0.00 C ATOM 746 C ARG A 126 -0.518 -6.586 9.333 1.00 0.00 C ATOM 747 O ARG A 126 -0.843 -6.243 10.470 1.00 0.00 O ATOM 748 CB ARG A 126 -1.593 -8.573 8.258 1.00 0.00 C ATOM 749 CG ARG A 126 -2.896 -9.069 7.597 1.00 0.00 C ATOM 750 CD ARG A 126 -3.985 -9.240 8.660 1.00 0.00 C ATOM 751 NE ARG A 126 -3.637 -10.341 9.542 1.00 0.00 N ATOM 752 CZ ARG A 126 -4.228 -10.484 10.722 1.00 0.00 C ATOM 753 NH1 ARG A 126 -5.130 -9.622 11.106 1.00 0.00 N ATOM 754 NH2 ARG A 126 -3.911 -11.486 11.497 1.00 0.00 N ATOM 0 H ARG A 126 -1.407 -7.202 6.244 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.540 -6.667 8.671 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.733 -8.926 7.689 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -1.505 -8.991 9.261 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.224 -8.358 6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.719 -10.017 7.089 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -4.093 -8.320 9.235 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.946 -9.433 8.183 1.00 0.00 H new ATOM 0 HE ARG A 126 -2.928 -11.014 9.250 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.379 -8.841 10.500 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -5.585 -9.730 12.012 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.208 -12.161 11.196 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -4.366 -11.594 12.403 1.00 0.00 H new ATOM 768 N GLU A 127 0.744 -6.580 8.924 1.00 0.00 N ATOM 769 CA GLU A 127 1.808 -6.157 9.829 1.00 0.00 C ATOM 770 C GLU A 127 1.800 -4.643 10.025 1.00 0.00 C ATOM 771 O GLU A 127 1.788 -4.156 11.157 1.00 0.00 O ATOM 772 CB GLU A 127 3.166 -6.607 9.288 1.00 0.00 C ATOM 773 CG GLU A 127 3.241 -8.135 9.328 1.00 0.00 C ATOM 774 CD GLU A 127 4.543 -8.612 8.694 1.00 0.00 C ATOM 775 OE1 GLU A 127 5.285 -7.774 8.212 1.00 0.00 O ATOM 776 OE2 GLU A 127 4.775 -9.809 8.695 1.00 0.00 O ATOM 0 H GLU A 127 1.053 -6.857 7.992 1.00 0.00 H new ATOM 0 HA GLU A 127 1.632 -6.624 10.798 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.300 -6.251 8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.970 -6.176 9.884 1.00 0.00 H new ATOM 0 HG2 GLU A 127 3.181 -8.483 10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.391 -8.563 8.797 1.00 0.00 H new ATOM 783 N ALA A 128 1.813 -3.904 8.920 1.00 0.00 N ATOM 784 CA ALA A 128 1.819 -2.444 8.989 1.00 0.00 C ATOM 785 C ALA A 128 0.579 -1.929 9.718 1.00 0.00 C ATOM 786 O ALA A 128 0.679 -1.089 10.612 1.00 0.00 O ATOM 787 CB ALA A 128 1.885 -1.851 7.568 1.00 0.00 C ATOM 0 H ALA A 128 1.820 -4.286 7.974 1.00 0.00 H new ATOM 0 HA ALA A 128 2.699 -2.129 9.549 1.00 0.00 H new ATOM 0 HB1 ALA A 128 1.889 -0.763 7.628 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.795 -2.191 7.074 1.00 0.00 H new ATOM 0 HB3 ALA A 128 1.017 -2.180 6.996 1.00 0.00 H new ATOM 793 N ASP A 129 -0.586 -2.421 9.308 1.00 0.00 N ATOM 794 CA ASP A 129 -1.848 -1.992 9.907 1.00 0.00 C ATOM 795 C ASP A 129 -1.689 -1.823 11.410 1.00 0.00 C ATOM 796 O ASP A 129 -1.385 -2.776 12.127 1.00 0.00 O ATOM 797 CB ASP A 129 -2.935 -3.028 9.604 1.00 0.00 C ATOM 798 CG ASP A 129 -4.324 -2.401 9.646 1.00 0.00 C ATOM 799 OD1 ASP A 129 -4.888 -2.330 10.718 1.00 0.00 O ATOM 800 OD2 ASP A 129 -4.805 -2.008 8.595 1.00 0.00 O ATOM 0 H ASP A 129 -0.684 -3.114 8.566 1.00 0.00 H new ATOM 0 HA ASP A 129 -2.137 -1.031 9.481 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -2.760 -3.465 8.621 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.878 -3.841 10.328 1.00 0.00 H new ATOM 805 N ILE A 130 -1.880 -0.594 11.871 1.00 0.00 N ATOM 806 CA ILE A 130 -1.743 -0.280 13.296 1.00 0.00 C ATOM 807 C ILE A 130 -3.101 -0.276 13.985 1.00 0.00 C ATOM 808 O ILE A 130 -3.209 -0.603 15.166 1.00 0.00 O ATOM 809 CB ILE A 130 -1.070 1.088 13.478 1.00 0.00 C ATOM 810 CG1 ILE A 130 0.246 1.108 12.691 1.00 0.00 C ATOM 811 CG2 ILE A 130 -0.767 1.318 14.968 1.00 0.00 C ATOM 812 CD1 ILE A 130 0.995 2.418 12.967 1.00 0.00 C ATOM 0 H ILE A 130 -2.130 0.203 11.285 1.00 0.00 H new ATOM 0 HA ILE A 130 -1.122 -1.051 13.752 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.734 1.872 13.115 1.00 0.00 H new ATOM 0 HG12 ILE A 130 0.865 0.257 12.977 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.044 1.011 11.624 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.289 2.289 15.096 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.697 1.293 15.536 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.100 0.535 15.329 1.00 0.00 H new ATOM 0 HD11 ILE A 130 1.929 2.428 12.406 1.00 0.00 H new ATOM 0 HD12 ILE A 130 0.378 3.262 12.659 1.00 0.00 H new ATOM 0 HD13 ILE A 130 1.211 2.496 14.033 1.00 0.00 H new ATOM 824 N ASP A 131 -4.129 0.104 13.245 1.00 0.00 N ATOM 825 CA ASP A 131 -5.482 0.158 13.797 1.00 0.00 C ATOM 826 C ASP A 131 -6.125 -1.228 13.813 1.00 0.00 C ATOM 827 O ASP A 131 -7.043 -1.487 14.590 1.00 0.00 O ATOM 828 CB ASP A 131 -6.342 1.110 12.966 1.00 0.00 C ATOM 829 CG ASP A 131 -5.881 2.548 13.181 1.00 0.00 C ATOM 830 OD1 ASP A 131 -5.155 2.780 14.134 1.00 0.00 O ATOM 831 OD2 ASP A 131 -6.259 3.396 12.390 1.00 0.00 O ATOM 0 H ASP A 131 -4.059 0.379 12.265 1.00 0.00 H new ATOM 0 HA ASP A 131 -5.416 0.520 14.823 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -6.271 0.850 11.910 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -7.390 1.009 13.249 1.00 0.00 H new ATOM 836 N GLY A 132 -5.644 -2.106 12.940 1.00 0.00 N ATOM 837 CA GLY A 132 -6.184 -3.462 12.848 1.00 0.00 C ATOM 838 C GLY A 132 -7.601 -3.442 12.277 1.00 0.00 C ATOM 839 O GLY A 132 -8.475 -4.184 12.727 1.00 0.00 O ATOM 0 H GLY A 132 -4.885 -1.907 12.288 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -5.540 -4.073 12.215 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -6.191 -3.924 13.835 1.00 0.00 H new ATOM 843 N ASP A 133 -7.822 -2.575 11.288 1.00 0.00 N ATOM 844 CA ASP A 133 -9.134 -2.441 10.653 1.00 0.00 C ATOM 845 C ASP A 133 -9.165 -3.128 9.289 1.00 0.00 C ATOM 846 O ASP A 133 -10.218 -3.580 8.839 1.00 0.00 O ATOM 847 CB ASP A 133 -9.458 -0.961 10.479 1.00 0.00 C ATOM 848 CG ASP A 133 -8.303 -0.250 9.776 1.00 0.00 C ATOM 849 OD1 ASP A 133 -7.181 -0.729 9.877 1.00 0.00 O ATOM 850 OD2 ASP A 133 -8.557 0.763 9.147 1.00 0.00 O ATOM 0 H ASP A 133 -7.108 -1.954 10.909 1.00 0.00 H new ATOM 0 HA ASP A 133 -9.875 -2.920 11.293 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -10.373 -0.847 9.898 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -9.639 -0.504 11.452 1.00 0.00 H new ATOM 855 N GLY A 134 -8.005 -3.203 8.633 1.00 0.00 N ATOM 856 CA GLY A 134 -7.903 -3.836 7.312 1.00 0.00 C ATOM 857 C GLY A 134 -7.408 -2.852 6.261 1.00 0.00 C ATOM 858 O GLY A 134 -7.415 -3.152 5.067 1.00 0.00 O ATOM 0 H GLY A 134 -7.124 -2.835 8.992 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -7.223 -4.686 7.366 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.877 -4.226 7.017 1.00 0.00 H new ATOM 862 N GLN A 135 -6.960 -1.682 6.707 1.00 0.00 N ATOM 863 CA GLN A 135 -6.444 -0.673 5.789 1.00 0.00 C ATOM 864 C GLN A 135 -5.340 0.135 6.454 1.00 0.00 C ATOM 865 O GLN A 135 -5.292 0.243 7.676 1.00 0.00 O ATOM 866 CB GLN A 135 -7.568 0.253 5.321 1.00 0.00 C ATOM 867 CG GLN A 135 -8.537 -0.538 4.431 1.00 0.00 C ATOM 868 CD GLN A 135 -9.559 0.390 3.777 1.00 0.00 C ATOM 869 OE1 GLN A 135 -9.320 0.904 2.682 1.00 0.00 O ATOM 870 NE2 GLN A 135 -10.692 0.630 4.379 1.00 0.00 N ATOM 0 H GLN A 135 -6.944 -1.411 7.690 1.00 0.00 H new ATOM 0 HA GLN A 135 -6.029 -1.182 4.919 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -8.098 0.664 6.180 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -7.154 1.096 4.768 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -7.978 -1.070 3.661 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -9.053 -1.291 5.027 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -10.888 0.204 5.285 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -11.381 1.243 3.944 1.00 0.00 H new ATOM 879 N VAL A 136 -4.460 0.712 5.631 1.00 0.00 N ATOM 880 CA VAL A 136 -3.359 1.524 6.149 1.00 0.00 C ATOM 881 C VAL A 136 -3.169 2.787 5.304 1.00 0.00 C ATOM 882 O VAL A 136 -3.357 2.768 4.082 1.00 0.00 O ATOM 883 CB VAL A 136 -2.064 0.686 6.168 1.00 0.00 C ATOM 884 CG1 VAL A 136 -2.398 -0.774 6.430 1.00 0.00 C ATOM 885 CG2 VAL A 136 -1.311 0.803 4.841 1.00 0.00 C ATOM 0 H VAL A 136 -4.488 0.633 4.614 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.599 1.835 7.166 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.426 1.069 6.964 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -1.480 -1.361 6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -2.900 -0.865 7.393 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.054 -1.144 5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.403 0.202 4.884 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.945 0.445 4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -1.048 1.846 4.663 1.00 0.00 H new ATOM 895 N ASN A 137 -2.796 3.872 5.970 1.00 0.00 N ATOM 896 CA ASN A 137 -2.575 5.135 5.288 1.00 0.00 C ATOM 897 C ASN A 137 -1.286 5.072 4.478 1.00 0.00 C ATOM 898 O ASN A 137 -0.865 3.999 4.044 1.00 0.00 O ATOM 899 CB ASN A 137 -2.511 6.291 6.292 1.00 0.00 C ATOM 900 CG ASN A 137 -2.758 7.617 5.574 1.00 0.00 C ATOM 901 OD1 ASN A 137 -1.824 8.392 5.360 1.00 0.00 O ATOM 902 ND2 ASN A 137 -3.965 7.921 5.180 1.00 0.00 N ATOM 0 H ASN A 137 -2.641 3.901 6.978 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.412 5.313 4.613 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.256 6.147 7.074 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -1.536 6.307 6.780 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.136 8.801 4.694 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.737 7.278 5.358 1.00 0.00 H new ATOM 909 N TYR A 138 -0.672 6.228 4.259 1.00 0.00 N ATOM 910 CA TYR A 138 0.557 6.295 3.479 1.00 0.00 C ATOM 911 C TYR A 138 1.778 5.835 4.283 1.00 0.00 C ATOM 912 O TYR A 138 2.496 4.936 3.855 1.00 0.00 O ATOM 913 CB TYR A 138 0.773 7.736 2.995 1.00 0.00 C ATOM 914 CG TYR A 138 -0.557 8.343 2.591 1.00 0.00 C ATOM 915 CD1 TYR A 138 -1.378 7.676 1.675 1.00 0.00 C ATOM 916 CD2 TYR A 138 -0.968 9.568 3.135 1.00 0.00 C ATOM 917 CE1 TYR A 138 -2.612 8.229 1.304 1.00 0.00 C ATOM 918 CE2 TYR A 138 -2.202 10.123 2.762 1.00 0.00 C ATOM 919 CZ TYR A 138 -3.024 9.453 1.846 1.00 0.00 C ATOM 920 OH TYR A 138 -4.240 9.997 1.479 1.00 0.00 O ATOM 0 H TYR A 138 -1.003 7.127 4.608 1.00 0.00 H new ATOM 0 HA TYR A 138 0.450 5.620 2.630 1.00 0.00 H new ATOM 0 HB2 TYR A 138 1.230 8.331 3.786 1.00 0.00 H new ATOM 0 HB3 TYR A 138 1.461 7.747 2.149 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -1.061 6.734 1.253 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -0.335 10.085 3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.245 7.711 0.600 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -2.518 11.067 3.181 1.00 0.00 H new ATOM 0 HH TYR A 138 -4.373 10.847 1.948 1.00 0.00 H new ATOM 930 N GLU A 139 2.008 6.452 5.441 1.00 0.00 N ATOM 931 CA GLU A 139 3.166 6.091 6.273 1.00 0.00 C ATOM 932 C GLU A 139 3.145 4.605 6.613 1.00 0.00 C ATOM 933 O GLU A 139 4.015 3.846 6.165 1.00 0.00 O ATOM 934 CB GLU A 139 3.173 6.933 7.543 1.00 0.00 C ATOM 935 CG GLU A 139 3.476 8.379 7.159 1.00 0.00 C ATOM 936 CD GLU A 139 3.424 9.273 8.387 1.00 0.00 C ATOM 937 OE1 GLU A 139 3.283 8.742 9.476 1.00 0.00 O ATOM 938 OE2 GLU A 139 3.535 10.476 8.222 1.00 0.00 O ATOM 0 H GLU A 139 1.421 7.193 5.824 1.00 0.00 H new ATOM 0 HA GLU A 139 4.078 6.293 5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 139 2.208 6.868 8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 139 3.923 6.561 8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 139 4.461 8.441 6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 139 2.755 8.725 6.418 1.00 0.00 H new ATOM 945 N GLU A 140 2.157 4.224 7.440 1.00 0.00 N ATOM 946 CA GLU A 140 1.997 2.828 7.880 1.00 0.00 C ATOM 947 C GLU A 140 2.462 1.890 6.767 1.00 0.00 C ATOM 948 O GLU A 140 3.002 0.809 7.017 1.00 0.00 O ATOM 949 CB GLU A 140 0.522 2.532 8.197 1.00 0.00 C ATOM 950 CG GLU A 140 0.082 3.285 9.454 1.00 0.00 C ATOM 951 CD GLU A 140 -1.416 3.093 9.685 1.00 0.00 C ATOM 952 OE1 GLU A 140 -2.013 2.303 8.968 1.00 0.00 O ATOM 953 OE2 GLU A 140 -1.941 3.743 10.577 1.00 0.00 O ATOM 0 H GLU A 140 1.457 4.863 7.817 1.00 0.00 H new ATOM 0 HA GLU A 140 2.595 2.673 8.778 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -0.103 2.825 7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.383 1.460 8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.640 2.924 10.318 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.308 4.346 9.349 1.00 0.00 H new ATOM 960 N PHE A 141 2.278 2.365 5.530 1.00 0.00 N ATOM 961 CA PHE A 141 2.696 1.631 4.340 1.00 0.00 C ATOM 962 C PHE A 141 4.174 1.903 4.030 1.00 0.00 C ATOM 963 O PHE A 141 4.952 0.982 3.864 1.00 0.00 O ATOM 964 CB PHE A 141 1.850 2.061 3.127 1.00 0.00 C ATOM 965 CG PHE A 141 1.714 0.896 2.171 1.00 0.00 C ATOM 966 CD1 PHE A 141 2.850 0.346 1.568 1.00 0.00 C ATOM 967 CD2 PHE A 141 0.455 0.363 1.907 1.00 0.00 C ATOM 968 CE1 PHE A 141 2.720 -0.740 0.698 1.00 0.00 C ATOM 969 CE2 PHE A 141 0.324 -0.716 1.043 1.00 0.00 C ATOM 970 CZ PHE A 141 1.455 -1.273 0.436 1.00 0.00 C ATOM 0 H PHE A 141 1.838 3.263 5.331 1.00 0.00 H new ATOM 0 HA PHE A 141 2.555 0.568 4.533 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.865 2.393 3.456 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.319 2.906 2.623 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.826 0.760 1.774 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.420 0.789 2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.595 -1.166 0.229 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.654 -1.127 0.839 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.351 -2.114 -0.234 1.00 0.00 H new ATOM 980 N VAL A 142 4.534 3.182 3.906 1.00 0.00 N ATOM 981 CA VAL A 142 5.923 3.554 3.577 1.00 0.00 C ATOM 982 C VAL A 142 6.896 2.601 4.275 1.00 0.00 C ATOM 983 O VAL A 142 7.664 1.890 3.624 1.00 0.00 O ATOM 984 CB VAL A 142 6.196 4.991 4.023 1.00 0.00 C ATOM 985 CG1 VAL A 142 7.700 5.301 3.930 1.00 0.00 C ATOM 986 CG2 VAL A 142 5.406 5.959 3.124 1.00 0.00 C ATOM 0 H VAL A 142 3.899 3.971 4.025 1.00 0.00 H new ATOM 0 HA VAL A 142 6.064 3.482 2.499 1.00 0.00 H new ATOM 0 HB VAL A 142 5.880 5.112 5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.880 6.327 4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 142 8.253 4.617 4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 142 8.034 5.179 2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.597 6.985 3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.720 5.832 2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.340 5.746 3.209 1.00 0.00 H new ATOM 996 N GLN A 143 6.862 2.610 5.605 1.00 0.00 N ATOM 997 CA GLN A 143 7.744 1.752 6.404 1.00 0.00 C ATOM 998 C GLN A 143 7.816 0.334 5.822 1.00 0.00 C ATOM 999 O GLN A 143 8.708 -0.446 6.165 1.00 0.00 O ATOM 1000 CB GLN A 143 7.239 1.690 7.851 1.00 0.00 C ATOM 1001 CG GLN A 143 7.445 3.051 8.520 1.00 0.00 C ATOM 1002 CD GLN A 143 6.921 3.013 9.953 1.00 0.00 C ATOM 1003 OE1 GLN A 143 7.233 2.091 10.706 1.00 0.00 O ATOM 1004 NE2 GLN A 143 6.141 3.971 10.378 1.00 0.00 N ATOM 0 H GLN A 143 6.236 3.199 6.155 1.00 0.00 H new ATOM 0 HA GLN A 143 8.745 2.182 6.382 1.00 0.00 H new ATOM 0 HB2 GLN A 143 6.183 1.420 7.868 1.00 0.00 H new ATOM 0 HB3 GLN A 143 7.775 0.917 8.402 1.00 0.00 H new ATOM 0 HG2 GLN A 143 8.504 3.310 8.518 1.00 0.00 H new ATOM 0 HG3 GLN A 143 6.926 3.825 7.955 1.00 0.00 H new ATOM 0 HE21 GLN A 143 5.884 4.734 9.752 1.00 0.00 H new ATOM 0 HE22 GLN A 143 5.790 3.956 11.335 1.00 0.00 H new ATOM 1013 N MET A 144 6.869 0.017 4.937 1.00 0.00 N ATOM 1014 CA MET A 144 6.811 -1.299 4.284 1.00 0.00 C ATOM 1015 C MET A 144 7.532 -1.268 2.938 1.00 0.00 C ATOM 1016 O MET A 144 8.366 -2.125 2.652 1.00 0.00 O ATOM 1017 CB MET A 144 5.358 -1.728 4.054 1.00 0.00 C ATOM 1018 CG MET A 144 4.572 -1.562 5.350 1.00 0.00 C ATOM 1019 SD MET A 144 5.297 -2.626 6.624 1.00 0.00 S ATOM 1020 CE MET A 144 4.296 -4.100 6.298 1.00 0.00 C ATOM 0 H MET A 144 6.126 0.656 4.653 1.00 0.00 H new ATOM 0 HA MET A 144 7.302 -2.014 4.944 1.00 0.00 H new ATOM 0 HB2 MET A 144 4.910 -1.126 3.264 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.321 -2.766 3.723 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.594 -0.521 5.672 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.526 -1.824 5.192 1.00 0.00 H new ATOM 0 HE1 MET A 144 3.800 -4.413 7.217 1.00 0.00 H new ATOM 0 HE2 MET A 144 3.546 -3.871 5.541 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.939 -4.904 5.940 1.00 0.00 H new ATOM 1030 N MET A 145 7.183 -0.293 2.100 1.00 0.00 N ATOM 1031 CA MET A 145 7.790 -0.193 0.771 1.00 0.00 C ATOM 1032 C MET A 145 9.300 -0.423 0.839 1.00 0.00 C ATOM 1033 O MET A 145 9.818 -1.363 0.234 1.00 0.00 O ATOM 1034 CB MET A 145 7.517 1.188 0.159 1.00 0.00 C ATOM 1035 CG MET A 145 6.000 1.399 -0.029 1.00 0.00 C ATOM 1036 SD MET A 145 5.692 2.401 -1.507 1.00 0.00 S ATOM 1037 CE MET A 145 6.493 3.916 -0.934 1.00 0.00 C ATOM 0 H MET A 145 6.494 0.429 2.311 1.00 0.00 H new ATOM 0 HA MET A 145 7.342 -0.964 0.144 1.00 0.00 H new ATOM 0 HB2 MET A 145 7.922 1.966 0.805 1.00 0.00 H new ATOM 0 HB3 MET A 145 8.025 1.275 -0.801 1.00 0.00 H new ATOM 0 HG2 MET A 145 5.499 0.435 -0.122 1.00 0.00 H new ATOM 0 HG3 MET A 145 5.582 1.892 0.848 1.00 0.00 H new ATOM 0 HE1 MET A 145 6.182 4.752 -1.561 1.00 0.00 H new ATOM 0 HE2 MET A 145 6.205 4.111 0.099 1.00 0.00 H new ATOM 0 HE3 MET A 145 7.575 3.800 -0.994 1.00 0.00 H new ATOM 1047 N THR A 146 10.001 0.436 1.579 1.00 0.00 N ATOM 1048 CA THR A 146 11.457 0.319 1.726 1.00 0.00 C ATOM 1049 C THR A 146 11.825 0.130 3.193 1.00 0.00 C ATOM 1050 O THR A 146 12.675 0.840 3.732 1.00 0.00 O ATOM 1051 CB THR A 146 12.149 1.571 1.174 1.00 0.00 C ATOM 1052 OG1 THR A 146 11.535 1.946 -0.053 1.00 0.00 O ATOM 1053 CG2 THR A 146 13.633 1.273 0.934 1.00 0.00 C ATOM 0 H THR A 146 9.588 1.219 2.086 1.00 0.00 H new ATOM 0 HA THR A 146 11.794 -0.550 1.161 1.00 0.00 H new ATOM 0 HB THR A 146 12.056 2.385 1.892 1.00 0.00 H new ATOM 0 HG1 THR A 146 11.974 2.747 -0.407 1.00 0.00 H new ATOM 0 HG21 THR A 146 14.124 2.163 0.542 1.00 0.00 H new ATOM 0 HG22 THR A 146 14.103 0.984 1.874 1.00 0.00 H new ATOM 0 HG23 THR A 146 13.729 0.459 0.215 1.00 0.00 H new ATOM 1061 N ALA A 147 11.180 -0.839 3.831 1.00 0.00 N ATOM 1062 CA ALA A 147 11.446 -1.126 5.235 1.00 0.00 C ATOM 1063 C ALA A 147 12.948 -1.239 5.476 1.00 0.00 C ATOM 1064 O ALA A 147 13.580 -2.202 5.040 1.00 0.00 O ATOM 1065 CB ALA A 147 10.769 -2.439 5.629 1.00 0.00 C ATOM 0 H ALA A 147 10.473 -1.436 3.402 1.00 0.00 H new ATOM 0 HA ALA A 147 11.048 -0.312 5.841 1.00 0.00 H new ATOM 0 HB1 ALA A 147 10.970 -2.651 6.679 1.00 0.00 H new ATOM 0 HB2 ALA A 147 9.693 -2.354 5.475 1.00 0.00 H new ATOM 0 HB3 ALA A 147 11.161 -3.249 5.014 1.00 0.00 H new ATOM 1071 N LYS A 148 13.509 -0.247 6.166 1.00 0.00 N ATOM 1072 CA LYS A 148 14.943 -0.229 6.461 1.00 0.00 C ATOM 1073 C LYS A 148 15.213 0.560 7.740 1.00 0.00 C ATOM 1074 O LYS A 148 16.181 0.246 8.415 1.00 0.00 O ATOM 1075 CB LYS A 148 15.704 0.405 5.290 1.00 0.00 C ATOM 1076 CG LYS A 148 17.214 0.369 5.556 1.00 0.00 C ATOM 1077 CD LYS A 148 17.956 0.926 4.338 1.00 0.00 C ATOM 1078 CE LYS A 148 19.465 0.869 4.581 1.00 0.00 C ATOM 1079 NZ LYS A 148 19.827 1.780 5.701 1.00 0.00 N ATOM 1080 OXT LYS A 148 14.447 1.468 8.027 1.00 0.00 O ATOM 0 H LYS A 148 12.994 0.554 6.531 1.00 0.00 H new ATOM 0 HA LYS A 148 15.285 -1.254 6.603 1.00 0.00 H new ATOM 0 HB2 LYS A 148 15.477 -0.130 4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 148 15.377 1.435 5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 148 17.453 0.957 6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 148 17.535 -0.653 5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 148 17.699 0.350 3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 148 17.647 1.954 4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 148 19.767 -0.151 4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 148 20.000 1.158 3.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 20.848 1.978 5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 19.299 2.671 5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 19.588 1.328 6.607 1.00 0.00 H new TER 1094 LYS A 148 HETATM 1095 CA CA A 201 -9.342 1.111 -0.349 1.00 0.00 CA HETATM 1096 CA CA A 202 -4.346 0.559 10.090 1.00 0.00 CA